WorldWideScience

Sample records for models force interactions

  1. Concurrent Modeling of Hydrodynamics and Interaction Forces Improves Particle Deposition Predictions.

    Science.gov (United States)

    Jin, Chao; Ren, Carolyn L; Emelko, Monica B

    2016-04-19

    It is widely believed that media surface roughness enhances particle deposition-numerous, but inconsistent, examples of this effect have been reported. Here, a new mathematical framework describing the effects of hydrodynamics and interaction forces on particle deposition on rough spherical collectors in absence of an energy barrier was developed and validated. In addition to quantifying DLVO force, the model includes improved descriptions of flow field profiles and hydrodynamic retardation functions. This work demonstrates that hydrodynamic effects can significantly alter particle deposition relative to expectations when only the DLVO force is considered. Moreover, the combined effects of hydrodynamics and interaction forces on particle deposition on rough, spherical media are not additive, but synergistic. Notably, the developed model's particle deposition predictions are in closer agreement with experimental observations than those from current models, demonstrating the importance of inclusion of roughness impacts in particle deposition description/simulation. Consideration of hydrodynamic contributions to particle deposition may help to explain discrepancies between model-based expectations and experimental outcomes and improve descriptions of particle deposition during physicochemical filtration in systems with nonsmooth collector surfaces.

  2. Inferring Interaction Force from Visual Information without Using Physical Force Sensors.

    Science.gov (United States)

    Hwang, Wonjun; Lim, Soo-Chul

    2017-10-26

    In this paper, we present an interaction force estimation method that uses visual information rather than that of a force sensor. Specifically, we propose a novel deep learning-based method utilizing only sequential images for estimating the interaction force against a target object, where the shape of the object is changed by an external force. The force applied to the target can be estimated by means of the visual shape changes. However, the shape differences in the images are not very clear. To address this problem, we formulate a recurrent neural network-based deep model with fully-connected layers, which models complex temporal dynamics from the visual representations. Extensive evaluations show that the proposed learning models successfully estimate the interaction forces using only the corresponding sequential images, in particular in the case of three objects made of different materials, a sponge, a PET bottle, a human arm, and a tube. The forces predicted by the proposed method are very similar to those measured by force sensors.

  3. A comprehensive modeling and vibration analysis of AFM microcantilevers subjected to nonlinear tip-sample interaction forces

    International Nuclear Information System (INIS)

    Eslami, Sohrab; Jalili, Nader

    2012-01-01

    Precise and accurate representation of an Atomic Force Microscopy (AFM) system is essential in studying the effects of boundary interaction forces present between the probe's tip and the sample. In this paper, a comprehensive analytical model for the AFM system utilizing a distributed-parameters based approach is proposed. More specifically, we consider two important attributes of these systems; namely the rotary inertia and shear deformation when compared with the Euler–Bernoulli beam theory. Moreover, a comprehensive nonlinear interaction force is assumed between probe's and sample in order to reveal the response of the system more realistically. This nanoscale interaction force is based on a general form consisting of both attractive and repulsive components as well as a function of the tip-sample distance and the microcantilever's base and sample oscillations. Mechanical properties of the sample could interact with the nanomechanical coupling field between the probe' tip and sample and be implemented in studying the composition information of the sample and the ultra-small features inside it. Therefore, by modulating the dynamics of the AFM system such as the driving amplitude of the microcantilever the procedure for the subsurface imaging is described. The presented approach here could be implemented for designing the AFM probes by examining the tip-sample interaction forces dominant by the van der Waals forces. Several numerical case studies are presented and the force–distance diagram reveals that the proposed nonlinear nanomechanical force along with the distributed-parameters model for the microcantilever is able to fulfill the mechanics of the Lennard–Jones potential. -- Highlights: ► We present a comprehensive distributed-parameters model for AFM microcantilever. ► Assuming a nonlinear and implicit interaction force between tip and sample. ► Timoshenko beam is compared with the Euler–Bernoulli having the same force model. ► Frequency

  4. Analytical Model of the Nonlinear Dynamics of Cantilever Tip-Sample Surface Interactions for Various Acoustic-Atomic Force Microscopies

    Science.gov (United States)

    Cantrell, John H., Jr.; Cantrell, Sean A.

    2008-01-01

    A comprehensive analytical model of the interaction of the cantilever tip of the atomic force microscope (AFM) with the sample surface is developed that accounts for the nonlinearity of the tip-surface interaction force. The interaction is modeled as a nonlinear spring coupled at opposite ends to linear springs representing cantilever and sample surface oscillators. The model leads to a pair of coupled nonlinear differential equations that are solved analytically using a standard iteration procedure. Solutions are obtained for the phase and amplitude signals generated by various acoustic-atomic force microscope (A-AFM) techniques including force modulation microscopy, atomic force acoustic microscopy, ultrasonic force microscopy, heterodyne force microscopy, resonant difference-frequency atomic force ultrasonic microscopy (RDF-AFUM), and the commonly used intermittent contact mode (TappingMode) generally available on AFMs. The solutions are used to obtain a quantitative measure of image contrast resulting from variations in the Young modulus of the sample for the amplitude and phase images generated by the A-AFM techniques. Application of the model to RDF-AFUM and intermittent soft contact phase images of LaRC-cp2 polyimide polymer is discussed. The model predicts variations in the Young modulus of the material of 24 percent from the RDF-AFUM image and 18 percent from the intermittent soft contact image. Both predictions are in good agreement with the literature value of 21 percent obtained from independent, macroscopic measurements of sheet polymer material.

  5. Interactions between internal forces, body stiffness, and fluid environment in a neuromechanical model of lamprey swimming.

    Science.gov (United States)

    Tytell, Eric D; Hsu, Chia-Yu; Williams, Thelma L; Cohen, Avis H; Fauci, Lisa J

    2010-11-16

    Animal movements result from a complex balance of many different forces. Muscles produce force to move the body; the body has inertial, elastic, and damping properties that may aid or oppose the muscle force; and the environment produces reaction forces back on the body. The actual motion is an emergent property of these interactions. To examine the roles of body stiffness, muscle activation, and fluid environment for swimming animals, a computational model of a lamprey was developed. The model uses an immersed boundary framework that fully couples the Navier-Stokes equations of fluid dynamics with an actuated, elastic body model. This is the first model at a Reynolds number appropriate for a swimming fish that captures the complete fluid-structure interaction, in which the body deforms according to both internal muscular forces and external fluid forces. Results indicate that identical muscle activation patterns can produce different kinematics depending on body stiffness, and the optimal value of stiffness for maximum acceleration is different from that for maximum steady swimming speed. Additionally, negative muscle work, observed in many fishes, emerges at higher tail beat frequencies without sensory input and may contribute to energy efficiency. Swimming fishes that can tune their body stiffness by appropriately timed muscle contractions may therefore be able to optimize the passive dynamics of their bodies to maximize peak acceleration or swimming speed.

  6. Analytical modeling of soliton interactions in a nonlocal nonlinear medium analogous to gravitational force

    Science.gov (United States)

    Zeng, Shihao; Chen, Manna; Zhang, Ting; Hu, Wei; Guo, Qi; Lu, Daquan

    2018-01-01

    We illuminate an analytical model of soliton interactions in lead glass by analogizing to a gravitational force system. The orbits of spiraling solitons under a long-range interaction are given explicitly and demonstrated to follow Newton's second law of motion and the Binet equation by numerical simulations. The condition for circular orbits is obtained and the oscillating orbits are proved not to be closed. We prove the analogy between the nonlocal nonlinear optical system and gravitational system and specify the quantitative relation of the quantity between the two models.

  7. Toward the description of electrostatic interactions between globular proteins: potential of mean force in the primitive model.

    Science.gov (United States)

    Dahirel, Vincent; Jardat, Marie; Dufrêche, Jean-François; Turq, Pierre

    2007-09-07

    Monte Carlo simulations are used to calculate the exact potential of mean force between charged globular proteins in aqueous solution. The aim of the present paper is to study the influence of the ions of the added salt on the effective interaction between these nanoparticles. The charges of the model proteins, either identical or opposite, are either central or distributed on a discrete pattern. Contrarily to Poisson-Boltzmann predictions, attractive, and repulsive direct forces between proteins are not screened similarly. Moreover, it has been shown that the relative orientations of the charge patterns strongly influence salt-mediated interactions. More precisely, for short distances between the proteins, ions enhance the difference of the effective forces between (i) like-charged and oppositely charged proteins, (ii) attractive and repulsive relative orientations of the proteins, which may affect the selectivity of protein/protein recognition. Finally, such results observed with the simplest models are applied to a more elaborate one to demonstrate their generality.

  8. Quantitative modeling assesses the contribution of bond strengthening, rebinding and force sharing to the avidity of biomolecule interactions.

    Directory of Open Access Journals (Sweden)

    Valentina Lo Schiavo

    Full Text Available Cell adhesion is mediated by numerous membrane receptors. It is desirable to derive the outcome of a cell-surface encounter from the molecular properties of interacting receptors and ligands. However, conventional parameters such as affinity or kinetic constants are often insufficient to account for receptor efficiency. Avidity is a qualitative concept frequently used to describe biomolecule interactions: this includes incompletely defined properties such as the capacity to form multivalent attachments. The aim of this study is to produce a working description of monovalent attachments formed by a model system, then to measure and interpret the behavior of divalent attachments under force. We investigated attachments between antibody-coated microspheres and surfaces coated with sparse monomeric or dimeric ligands. When bonds were subjected to a pulling force, they exhibited both a force-dependent dissociation consistent with Bell's empirical formula and a force- and time-dependent strengthening well described by a single parameter. Divalent attachments were stronger and less dependent on forces than monovalent ones. The proportion of divalent attachments resisting a force of 30 piconewtons for at least 5 s was 3.7 fold higher than that of monovalent attachments. Quantitative modeling showed that this required rebinding, i.e. additional bond formation between surfaces linked by divalent receptors forming only one bond. Further, experimental data were compatible with but did not require stress sharing between bonds within divalent attachments. Thus many ligand-receptor interactions do not behave as single-step reactions in the millisecond to second timescale. Rather, they exhibit progressive stabilization. This explains the high efficiency of multimerized or clustered receptors even when bonds are only subjected to moderate forces. Our approach provides a quantitative way of relating binding avidity to measurable parameters including bond

  9. Quantitative Modeling Assesses the Contribution of Bond Strengthening, Rebinding and Force Sharing to the Avidity of Biomolecule Interactions

    Science.gov (United States)

    Lo Schiavo, Valentina; Robert, Philippe; Limozin, Laurent; Bongrand, Pierre

    2012-01-01

    Cell adhesion is mediated by numerous membrane receptors. It is desirable to derive the outcome of a cell-surface encounter from the molecular properties of interacting receptors and ligands. However, conventional parameters such as affinity or kinetic constants are often insufficient to account for receptor efficiency. Avidity is a qualitative concept frequently used to describe biomolecule interactions: this includes incompletely defined properties such as the capacity to form multivalent attachments. The aim of this study is to produce a working description of monovalent attachments formed by a model system, then to measure and interpret the behavior of divalent attachments under force. We investigated attachments between antibody-coated microspheres and surfaces coated with sparse monomeric or dimeric ligands. When bonds were subjected to a pulling force, they exhibited both a force-dependent dissociation consistent with Bell’s empirical formula and a force- and time-dependent strengthening well described by a single parameter. Divalent attachments were stronger and less dependent on forces than monovalent ones. The proportion of divalent attachments resisting a force of 30 piconewtons for at least 5 s was 3.7 fold higher than that of monovalent attachments. Quantitative modeling showed that this required rebinding, i.e. additional bond formation between surfaces linked by divalent receptors forming only one bond. Further, experimental data were compatible with but did not require stress sharing between bonds within divalent attachments. Thus many ligand-receptor interactions do not behave as single-step reactions in the millisecond to second timescale. Rather, they exhibit progressive stabilization. This explains the high efficiency of multimerized or clustered receptors even when bonds are only subjected to moderate forces. Our approach provides a quantitative way of relating binding avidity to measurable parameters including bond maturation, rebinding and

  10. Study of Adhesion Interaction Using Atomic Force Microscopy

    Science.gov (United States)

    Grybos, J.; Pyka-Fosciak, G.; Lebed, K.; Lekka, M.; Stachura, Z.; Styczeñ, J.

    2003-05-01

    An atomic force microscope is a useful tool to study the interaction forces at molecular level. In particular the atomic force microscope can measure an unbinding force needed to separate the two single molecule complexes. Recent studies have shown that such unbinding force depends linearly on the logarithm of the applied loading rate, defined as a product of scanning velocity and the spring constant characterizing the investigated system (cantilever vs. surface). This dependence can be used to study the energy landscape shape of a molecular complex by the estimation of energy barrier locations and the related dissociation rates. In the present work the complex consisting of ethylene(di)aminetetraacetic acid and the bovine serum albumin was measured. The dependence between the unbinding force and the logarithm of the loading rate was linear. Using the Bell model describing the dissociation of the above molecules caused by the action of the external bond breaking force, two parameters were estimated: the dissociation rate and the position of the energy barrier needed to overcome during a transition from a bound to unbound state. The obtained results are similar to those obtained for a typical ligand--receptor interaction.

  11. Automated boundary interaction force control of micromanipulators with in situ applications to microsurgery

    International Nuclear Information System (INIS)

    Eslami, Sohrab; Jalili, Nader

    2012-01-01

    Most recent works on miniature tasks are concentrated on developing tools to take advantage of the visual servoing feedback to control the ultra-small interaction forces. This paper spans an extensive platform for automatic controlling of boundary interaction forces with high precision in the level of micro/nano-Newton with extensive micro/nanoengineering applications such as the microsurgery. To this end, a comprehensive piezoresistive microcantilever (PMC) model considering the shear deformation and rotary inertia effects treating as the distributed-parameters model along with the Hertzian contact force is presented. The purpose of considering the Hertzian contact force model is to investigate the dynamic response of the interaction force between the microcantilever's tip and the specimen. Afterward, a control platform is introduced to automatically manipulate the PMC to follow an ideal micro/nano-interaction force. By using the integrated PMC with the micromanipulator and a digital signal processor, an intuitive programming code is written to incorporate the micromanipulator and the controller in a real-time framework. To calibrate and verify the induced voltage in the PMC, a self-sensing experiment on the piezoelectric microcantilever is carried out to warrant the calibration procedure. Some experiments are established to affirm the validity of the proposed control for the autonomous real-time tasks on the boundary interaction force control. Unlike the conventional research studies, the measured force here contributes as the feedback source in contrast to the vision feedback while force sensors possess more precision, productivity and small size. This technique has several potential applications listed but not limited to the micro/nanomanipulation, developing artificial biological systems (e.g., fabricating hydrogel for the scaffold), and medicine such as microsurgery. As a result, using the proposed platform, we are able to manipulate and control the

  12. Analysis of bit-rock interaction during stick-slip vibrations using PDC cutting force model

    Energy Technology Data Exchange (ETDEWEB)

    Patil, P.A.; Teodoriu, C. [Technische Univ. Clausthal, Clausthal-Zellerfeld (Germany). ITE

    2013-08-01

    Drillstring vibration is one of the limiting factors maximizing the drilling performance and also causes premature failure of drillstring components. Polycrystalline diamond compact (PDC) bit enhances the overall drilling performance giving the best rate of penetrations with less cost per foot but the PDC bits are more susceptible to the stick slip phenomena which results in high fluctuations of bit rotational speed. Based on the torsional drillstring model developed using Matlab/Simulink for analyzing the parametric influence on stick-slip vibrations due to drilling parameters and drillstring properties, the study of relations between weight on bit, torque on bit, bit speed, rate of penetration and friction coefficient have been analyzed. While drilling with the PDC bits, the bit-rock interaction has been characterized by cutting forces and the frictional forces. The torque on bit and the weight on bit have both the cutting component and the frictional component when resolved in horizontal and vertical direction. The paper considers that the bit is undergoing stick-slip vibrations while analyzing the bit-rock interaction of the PDC bit. The Matlab/Simulink bit-rock interaction model has been developed which gives the average cutting torque, T{sub c}, and friction torque, T{sub f}, values on cutters as well as corresponding average weight transferred by the cutting face, W{sub c}, and the wear flat face, W{sub f}, of the cutters value due to friction.

  13. Do responses to different anthropogenic forcings add linearly in climate models?

    International Nuclear Information System (INIS)

    Marvel, Kate; Schmidt, Gavin A; LeGrande, Allegra N; Nazarenko, Larissa; Shindell, Drew; Bonfils, Céline; Tsigaridis, Kostas

    2015-01-01

    Many detection and attribution and pattern scaling studies assume that the global climate response to multiple forcings is additive: that the response over the historical period is statistically indistinguishable from the sum of the responses to individual forcings. Here, we use the NASA Goddard Institute for Space Studies (GISS) and National Center for Atmospheric Research Community Climate System Model (CCSM4) simulations from the CMIP5 archive to test this assumption for multi-year trends in global-average, annual-average temperature and precipitation at multiple timescales. We find that responses in models forced by pre-computed aerosol and ozone concentrations are generally additive across forcings. However, we demonstrate that there are significant nonlinearities in precipitation responses to different forcings in a configuration of the GISS model that interactively computes these concentrations from precursor emissions. We attribute these to differences in ozone forcing arising from interactions between forcing agents. Our results suggest that attribution to specific forcings may be complicated in a model with fully interactive chemistry and may provide motivation for other modeling groups to conduct further single-forcing experiments. (letter)

  14. The interaction of 2-mercaptobenzimidazole with human serum albumin as determined by spectroscopy, atomic force microscopy and molecular modeling.

    Science.gov (United States)

    Li, Yuqin; Jia, Baoxiu; Wang, Hao; Li, Nana; Chen, Gaopan; Lin, Yuejuan; Gao, Wenhua

    2013-04-01

    The interaction of 2-mercaptobenzimidazole (MBI) with human serum albumin (HSA) was studied in vitro by equilibrium dialysis under normal physiological conditions. This study used fluorescence, ultraviolet-visible spectroscopy (UV-vis), Fourier transform infrared (FT-IR), circular dichroism (CD) and Raman spectroscopy, atomic force microscopy (AFM) and molecular modeling techniques. Association constants, the number of binding sites and basic thermodynamic parameters were used to investigate the quenching mechanism. Based on the fluorescence resonance energy transfer, the distance between the HSA and MBI was 2.495 nm. The ΔG(0), ΔH(0), and ΔS(0) values across temperature indicated that the hydrophobic interaction was the predominant binding Force. The UV, FT-IR, CD and Raman spectra confirmed that the HSA secondary structure was altered in the presence of MBI. In addition, the molecular modeling showed that the MBI-HSA complex was stabilized by hydrophobic forces, which resulted from amino acid residues. The AFM results revealed that the individual HSA molecule dimensions were larger after interaction with MBI. Overall, this study suggested a method for characterizing the weak intermolecular interaction. In addition, this method is potentially useful for elucidating the toxigenicity of MBI when it is combined with the biomolecular function effect, transmembrane transport, toxicological testing and other experiments. Copyright © 2012 Elsevier B.V. All rights reserved.

  15. Forcing scheme in pseudopotential lattice Boltzmann model for multiphase flows.

    Science.gov (United States)

    Li, Q; Luo, K H; Li, X J

    2012-07-01

    The pseudopotential lattice Boltzmann (LB) model is a widely used multiphase model in the LB community. In this model, an interaction force, which is usually implemented via a forcing scheme, is employed to mimic the molecular interactions that cause phase segregation. The forcing scheme is therefore expected to play an important role in the pseudoepotential LB model. In this paper, we aim to address some key issues about forcing schemes in the pseudopotential LB model. First, theoretical and numerical analyses will be made for Shan-Chen's forcing scheme [Shan and Chen, Phys. Rev. E 47, 1815 (1993)] and the exact-difference-method forcing scheme [Kupershtokh et al., Comput. Math. Appl. 58, 965 (2009)]. The nature of these two schemes and their recovered macroscopic equations will be shown. Second, through a theoretical analysis, we will reveal the physics behind the phenomenon that different forcing schemes exhibit different performances in the pseudopotential LB model. Moreover, based on the analysis, we will present an improved forcing scheme and numerically demonstrate that the improved scheme can be treated as an alternative approach to achieving thermodynamic consistency in the pseudopotential LB model.

  16. Forcings and feedbacks on convection in the 2010 Pakistan flood: Modeling extreme precipitation with interactive large-scale ascent

    Science.gov (United States)

    Nie, Ji; Shaevitz, Daniel A.; Sobel, Adam H.

    2016-09-01

    Extratropical extreme precipitation events are usually associated with large-scale flow disturbances, strong ascent, and large latent heat release. The causal relationships between these factors are often not obvious, however, the roles of different physical processes in producing the extreme precipitation event can be difficult to disentangle. Here we examine the large-scale forcings and convective heating feedback in the precipitation events, which caused the 2010 Pakistan flood within the Column Quasi-Geostrophic framework. A cloud-revolving model (CRM) is forced with large-scale forcings (other than large-scale vertical motion) computed from the quasi-geostrophic omega equation using input data from a reanalysis data set, and the large-scale vertical motion is diagnosed interactively with the simulated convection. Numerical results show that the positive feedback of convective heating to large-scale dynamics is essential in amplifying the precipitation intensity to the observed values. Orographic lifting is the most important dynamic forcing in both events, while differential potential vorticity advection also contributes to the triggering of the first event. Horizontal moisture advection modulates the extreme events mainly by setting the environmental humidity, which modulates the amplitude of the convection's response to the dynamic forcings. When the CRM is replaced by either a single-column model (SCM) with parameterized convection or a dry model with a reduced effective static stability, the model results show substantial discrepancies compared with reanalysis data. The reasons for these discrepancies are examined, and the implications for global models and theoretical models are discussed.

  17. Modelling the effects of the radiation reaction force on the interaction of thin foils with ultra-intense laser fields

    Science.gov (United States)

    Duff, M. J.; Capdessus, R.; Del Sorbo, D.; Ridgers, C. P.; King, M.; McKenna, P.

    2018-06-01

    The effects of the radiation reaction (RR) force on thin foils undergoing radiation pressure acceleration (RPA) are investigated. Using QED-particle-in-cell simulations, the influence of the RR force on the collective electron dynamics within the target can be examined. The magnitude of the RR force is found to be strongly dependent on the target thickness, leading to effects which can be observed on a macroscopic scale, such as changes to the distribution of the emitted radiation and the target dynamics. This suggests that such parameters may be controlled in experiments at multi-PW laser facilities. In addition, the effects of the RR force are characterized in terms of an average radiation emission angle. We present an analytical model which, for the first time, describes the effect of the RR force on the collective electron dynamics within the ‘light-sail’ regime of RPA. The predictions of this model can be tested in future experiments with ultra-high intensity lasers interacting with solid targets.

  18. A self-interacting partially directed walk subject to a force

    Energy Technology Data Exchange (ETDEWEB)

    Brak, R; Owczarek, A L [Department of Mathematics and Statistics, University of Melbourne, Parkville, Victoria 3010 (Australia); Dyke, P; Lee, J; Whittington, S G [Department of Chemistry, University of Toronto, Toronto M5S 3H6 (Canada); Prellberg, T [School of Mathematical Sciences, Queen Mary, University of London, Mile End Road, London E1 4NS (United Kingdom); Rechnitzer, A [Department of Mathematics, University of British Columbia, Vancouver V6K 1ZT (Canada)

    2009-02-27

    We consider a directed walk model of a homopolymer (in two dimensions) which is self-interacting and can undergo a collapse transition, subject to an applied tensile force. We review and interpret all the results already in the literature concerning the case where this force is in the preferred direction of the walk. We consider the force extension curves at different temperatures as well as the critical-force temperature curve. We demonstrate that this model can be analysed rigorously for all key quantities of interest even when there may not be explicit expressions for these quantities available. We show which of the techniques available can be extended to the full model, where the force has components in the preferred direction and the direction perpendicular to this. Whilst the solution of the generating function is available, its analysis is far more complicated and not all the rigorous techniques are available. However, many results can be extracted including the location of the critical point which gives the general critical-force temperature curve. Lastly, we generalize the model to a three-dimensional analogue and show that several key properties can be analysed if the force is restricted to the plane of preferred directions.

  19. Measurement of Vehicle-Bridge-Interaction force using dynamic tire pressure monitoring

    Science.gov (United States)

    Chen, Zhao; Xie, Zhipeng; Zhang, Jian

    2018-05-01

    The Vehicle-Bridge-Interaction (VBI) force, i.e., the normal contact force of a tire, is a key component in the VBI mechanism. The VBI force measurement can facilitate experimental studies of the VBI as well as input-output bridge structural identification. This paper introduces an innovative method for calculating the interaction force by using dynamic tire pressure monitoring. The core idea of the proposed method combines the ideal gas law and a basic force model to build a relationship between the tire pressure and the VBI force. Then, unknown model parameters are identified by the Extended Kalman Filter using calibration data. A signal filter based on the wavelet analysis is applied to preprocess the effect that the tire rotation has on the pressure data. Two laboratory tests were conducted to check the proposed method's validity. The effects of different road irregularities, loads and forward velocities were studied. Under the current experiment setting, the proposed method was robust to different road irregularities, and the increase in load and velocity benefited the performance of the proposed method. A high-speed test further supported the use of this method in rapid bridge tests. Limitations of the derived theories and experiment were also discussed.

  20. Modeling and boundary force control of microcantilevers utilized in atomic force microscopy for cellular imaging and characterization

    Science.gov (United States)

    Eslami, Sohrab

    This dissertation undertakes the theoretical and experimental developments microcantilevers utilized in Atomic Force Microscopy (AFM) with applications to cellular imaging and characterization. The capability of revealing the inhomogeneties or interior of ultra-small materials has been of most interest to many researchers. However, the fundamental concept of signal and image formation remains unexplored and not fully understood. For his, a semi-empirical nonlinear force model is proposed to show that virtual frequency generation, regarded as the simplest synthesized subsurface probe, occurs optimally when the force is tuned to the van der Waals form. This is the first-time observation of a novel theoretical dynamic multi-frequency force microscopy that has not been already reported. Owing to the broad applications of microcantilevers in the nanoscale imaging and microscopic techniques, there is an essential feeling to study and propose a comprehensive model of such systems. Therefore, in the theoretical part of this dissertation, a distributed-parameters representation modeling of the microcantilever along with a general interaction force comprising of two attractive and repulsive components with general amplitude and power terms is studied. This model is investigated in a general 2D Cartesian coordinate to consider the motions of the probe with a tip mass. There is an excitation at the microcantilever's base such that the end of the beam is subject to the proposed general force. These forces are very sensitive to the amplitude and power terms of these parts; on the other hand, atomic intermolecular force is a function of the distance such that this distance itself is also a function of the interaction force that will result in a nonlinear implicit equation. From a parametric study in the probe-sample excitation, it is shown that the predicted behavior of the generated difference-frequency oscillation amplitude agrees well with experimental measurements. Following

  1. Hyperon puzzle of neutron stars with Skyrme force models

    International Nuclear Information System (INIS)

    Lim, Yeunhwan; Hyun, Chang Ho; Kwak, Kyujin; Lee, Chang-Hwan

    2015-01-01

    We consider the so-called hyperon puzzle of neutron star (NS). We employ Skyrme force models for the description of in-medium nucleon–nucleon (NN), nucleon–Lambda hyperon (NΛ) and Lambda–Lambda (ΛΛ) interactions. A phenomenological finite-range force (FRF) for the ΛΛ interaction is considered as well. Equation of state (EoS) of NS matter is obtained in the framework of density functional theory, and Tolman–Oppenheimer–Volkoff (TOV) equations are solved to obtain the mass-radius relations of NSs. It has been generally known that the existence of hyperons in the NS matter is not well supported by the recent discovery of large-mass NSs (M ≃ 2M⊙) since hyperons make the EoS softer than the one without them. For the selected interaction models, NΛ interactions reduce the maximum mass of NS by about 30%, while ΛΛ interactions can give about 10% enhancement. Consequently, we find that some Skyrme force models predict the maximum mass of NS consistent with the observation of 2M ⊙ NSs, and at the same time satisfy observationally constrained mass-radius relations. (author)

  2. Interaction force measurement between E. coli cells and nanoparticles immobilized surfaces by using AFM.

    Science.gov (United States)

    Zhang, Wen; Stack, Andrew G; Chen, Yongsheng

    2011-02-01

    To better understand environmental behaviors of nanoparticles (NPs), we used the atomic force microscopy (AFM) to measure interaction forces between E. coli cells and NPs immobilized on surfaces in an aqueous environment. The results showed that adhesion force strength was significantly influenced by particle size for both hematite (α-Fe(2)O(3)) and corundum (α-Al(2)O(3)) NPs whereas the effect on the repulsive force was not observed. The adhesion force decreased from 6.3±0.7nN to 0.8±0.4nN as hematite NPs increased from 26nm to 98nm in diameter. Corundum NPs exhibited a similar dependence of adhesion force on particle size. The Johnson-Kendall-Roberts (JKR) model was employed to estimate the contact area between E. coli cells and NPs, and based on the JKR model a new model that considers local effective contact area was developed. The prediction of the new model matched the size dependence of adhesion force in experimental results. Size effects on adhesion forces may originate from the difference in local effective contact areas as supported by our model. These findings provide fundamental information for interpreting the environmental behaviors and biological interactions of NPs, which barely have been addressed. Copyright © 2010 Elsevier B.V. All rights reserved.

  3. UMER: An analog computer for dynamics of swarms interacting via long-range forces

    International Nuclear Information System (INIS)

    Kishek, R.A.; Bai, G.; Bernal, S.; Feldman, D.; Godlove, T.F.; Haber, I.; O'Shea, P.G.; Quinn, B.; Papadopoulos, C.; Reiser, M.; Stratakis, D.; Tian, K.; Tobin, C.J.; Walter, M.

    2006-01-01

    Some of the most challenging and interesting problems in nature involve large numbers of objects or particles mutually interacting through long-range forces. Examples range from galaxies and plasmas to flocks of birds and traffic flow on a highway. Even in cases where the form of the interacting force is precisely known, such as the 1/r 2 -dependent Coulomb and gravitational forces, such problems present a formidable theoretical and modeling challenge for large numbers of interacting bodies. This paper reports on a newly constructed, scaled particle accelerator that will serve as an experimental testbed for the dynamics of swarms interacting through long-range forces. Primarily designed for intense beam dynamics studies for advanced accelerators, the University of Maryland Electron Ring (UMER) design is described in detail and an update on commissioning is provided. An example application to a system other than a charged particle beam is discussed

  4. Assessing the relative importance of parameter and forcing uncertainty and their interactions in conceptual hydrological model simulations

    Science.gov (United States)

    Mockler, E. M.; Chun, K. P.; Sapriza-Azuri, G.; Bruen, M.; Wheater, H. S.

    2016-11-01

    Predictions of river flow dynamics provide vital information for many aspects of water management including water resource planning, climate adaptation, and flood and drought assessments. Many of the subjective choices that modellers make including model and criteria selection can have a significant impact on the magnitude and distribution of the output uncertainty. Hydrological modellers are tasked with understanding and minimising the uncertainty surrounding streamflow predictions before communicating the overall uncertainty to decision makers. Parameter uncertainty in conceptual rainfall-runoff models has been widely investigated, and model structural uncertainty and forcing data have been receiving increasing attention. This study aimed to assess uncertainties in streamflow predictions due to forcing data and the identification of behavioural parameter sets in 31 Irish catchments. By combining stochastic rainfall ensembles and multiple parameter sets for three conceptual rainfall-runoff models, an analysis of variance model was used to decompose the total uncertainty in streamflow simulations into contributions from (i) forcing data, (ii) identification of model parameters and (iii) interactions between the two. The analysis illustrates that, for our subjective choices, hydrological model selection had a greater contribution to overall uncertainty, while performance criteria selection influenced the relative intra-annual uncertainties in streamflow predictions. Uncertainties in streamflow predictions due to the method of determining parameters were relatively lower for wetter catchments, and more evenly distributed throughout the year when the Nash-Sutcliffe Efficiency of logarithmic values of flow (lnNSE) was the evaluation criterion.

  5. Investigation of the Interaction between Patulin and Human Serum Albumin by a Spectroscopic Method, Atomic Force Microscopy, and Molecular Modeling

    Directory of Open Access Journals (Sweden)

    Li Yuqin

    2014-01-01

    Full Text Available The interaction of patulin with human serum albumin (HSA was studied in vitro under normal physiological conditions. The study was performed using fluorescence, ultraviolet-visible spectroscopy (UV-Vis, circular dichroism (CD, atomic force microscopy (AFM, and molecular modeling techniques. The quenching mechanism was investigated using the association constants, the number of binding sites, and basic thermodynamic parameters. A dynamic quenching mechanism occurred between HSA and patulin, and the binding constants (K were 2.60 × 104, 4.59 × 104, and 7.01 × 104 M−1 at 288, 300, and 310 K, respectively. Based on fluorescence resonance energy transfer, the distance between the HSA and patulin was determined to be 2.847 nm. The ΔG0, ΔH0, and ΔS0 values across various temperatures indicated that hydrophobic interaction was the predominant binding force. The UV-Vis and CD results confirmed that the secondary structure of HSA was altered in the presence of patulin. The AFM results revealed that the individual HSA molecule dimensions were larger after interaction with patulin. In addition, molecular modeling showed that the patulin-HSA complex was stabilized by hydrophobic and hydrogen bond forces. The study results suggested that a weak intermolecular interaction occurred between patulin and HSA. Overall, the results are potentially useful for elucidating the toxigenicity of patulin when it is combined with the biomolecular function effect, transmembrane transport, toxicological, testing and other experiments.

  6. Balancing the Interactions of Ions, Water, and DNA in the Drude Polarizable Force Field

    OpenAIRE

    Savelyev, Alexey; MacKerell, Alexander D.

    2014-01-01

    Recently we presented a first-generation all-atom Drude polarizable force field for DNA based on the classical Drude oscillator model, focusing on optimization of key dihedral angles followed by extensive validation of the force field parameters. Presently, we describe the procedure for balancing the electrostatic interactions between ions, water, and DNA as required for development of the Drude force field for DNA. The proper balance of these interactions is shown to impact DNA stability and...

  7. Experimental study on the control interaction force coefficient; Soju ryutairyoku kansho keisu ni kansuru jikkenteki kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    Nakatake, K; Oda, K; Yoshitake, A; Fujita, K; Nakajima, A [Kyushu University, Fukuoka (Japan). Faculty of Engineering

    1996-04-10

    The interaction force induced to hull by steering is important for prediction of control performance of ships. The control interaction force coefficient dependent on the steering has been investigated through the rudder angle tests using three small model ships with a length of 2.5 m, i.e., mathematical type of ship, cargo type of ship, and tanker type of ship. The interaction forces acting on the hull, propeller, and rudder were determined by measuring the lateral force as well as the forward force of the hydrodynamic forces acting on the rudder. These forces were compared with the theoretically calculated values. Prior to the rudder angle tests, the self propulsion factor and the number of revolution of propeller were determined from the results of the open water tests, resistance tests, and self propulsion tests by the changing load method. The rudder angle tests were conducted under this number of revolution of propeller as a standard condition, and under those increasing and decreasing by 15%. Consequently, the interaction forces determined from the rudder angle tests agreed well with those determined from the other tests. When comparing the control hydrodynamic forces determined from the tests with those theoretically calculated, a similar trend was observed. Effectiveness of the theoretical model was confirmed. 4 refs., 14 figs., 3 tabs.

  8. Interaction forces model on a bubble growing for nuclear best estimate computer codes

    International Nuclear Information System (INIS)

    Espinosa-Paredes, Gilberto; Nunez-Carrera, Alejandro; Martinez-Mendez, Elizabeth J.

    2005-01-01

    This paper presents a mathematical model that takes into account the bubble radius variation that take place in a boiling water nuclear reactor during transients with changes in the pressure vessel, changes in the inlet core mass flow rate, density-wave phenomena or flow regime instability. The model with expansion effects was developed considering the interaction force between a dilute dispersion of gas bubbles and a continuous liquid phase. The closure relationships were formulated as an associated problem with the spatial deviation around averaging variables as a function of known variables. In order to solve the closure problem, a geometric model given by an eccentric unit cell was applied as an approach of heterogeneous structure of the two-phase flow. The closure relationship includes additional terms that represent combined effects between translation and pulsation due to displacement and size variation of the bubbles, respectively. This result can be implanted straightforward in best estimate thermo-hydraulics models. An example, the implementation of the closure relationships into TRAC best estimate computer code is presented

  9. Vortex network community based reduced-order force model

    Science.gov (United States)

    Gopalakrishnan Meena, Muralikrishnan; Nair, Aditya; Taira, Kunihiko

    2017-11-01

    We characterize the vortical wake interactions by utilizing network theory and cluster-based approaches, and develop a data-inspired unsteady force model. In the present work, the vortical interaction network is defined by nodes representing vortical elements and the edges quantified by induced velocity measures amongst the vortices. The full vorticity field is reduced to a finite number of vortical clusters based on network community detection algorithm, which serves as a basis for a skeleton network that captures the essence of the wake dynamics. We use this reduced representation of the wake to develop a data-inspired reduced-order force model that can predict unsteady fluid forces on the body. The overall formulation is demonstrated for laminar flows around canonical bluff body wake and stalled flow over an airfoil. We also show the robustness of the present network-based model against noisy data, which motivates applications towards turbulent flows and experimental measurements. Supported by the National Science Foundation (Grant 1632003).

  10. Investigation of specific interactions between T7 promoter and T7 RNA polymerase by force spectroscopy using atomic force microscope.

    Science.gov (United States)

    Zhang, Xiaojuan; Yao, Zhixuan; Duan, Yanting; Zhang, Xiaomei; Shi, Jinsong; Xu, Zhenghong

    2018-01-11

    The specific recognition and binding of promoter and RNA polymerase is the first step of transcription initiation in bacteria and largely determines transcription activity. Therefore, direct analysis of the interaction between promoter and RNA polymerase in vitro may be a new strategy for promoter characterization, to avoid interference due to the cell's biophysical condition and other regulatory elements. In the present study, the specific interaction between T7 promoter and T7 RNA polymerase was studied as a model system using force spectroscopy based on atomic force microscope (AFM). The specific interaction between T7 promoter and T7 RNA polymerase was verified by control experiments, and the rupture force in this system was measured as 307.2 ± 6.7 pN. The binding between T7 promoter mutants with various promoter activities and T7 RNA polymerase was analyzed. Interaction information including rupture force, rupture distance and binding percentage were obtained in vitro , and reporter gene expression regulated by these promoters was also measured according to a traditional promoter activity characterization method in vivo Using correlation analysis, it was found that the promoter strength characterized by reporter gene expression was closely correlated with rupture force and the binding percentage by force spectroscopy. These results indicated that the analysis of the interaction between promoter and RNA polymerase using AFM-based force spectroscopy was an effective and valid approach for the quantitative characterization of promoters. © 2018 The Author(s). Published by Portland Press Limited on behalf of the Biochemical Society.

  11. Soft matter interactions at the molecular scale: interaction forces and energies between single hydrophobic model peptides.

    Science.gov (United States)

    Stock, Philipp; Utzig, Thomas; Valtiner, Markus

    2017-02-08

    In all realms of soft matter research a fundamental understanding of the structure/property relationships based on molecular interactions is crucial for developing a framework for the targeted design of soft materials. However, a molecular picture is often difficult to ascertain and yet essential for understanding the many different competing interactions at play, including entropies and cooperativities, hydration effects, and the enormous design space of soft matter. Here, we characterized for the first time the interaction between single hydrophobic molecules quantitatively using atomic force microscopy, and demonstrated that single molecular hydrophobic interaction free energies are dominated by the area of the smallest interacting hydrophobe. The interaction free energy amounts to 3-4 kT per hydrophobic unit. Also, we find that the transition state of the hydrophobic interactions is located at 3 Å with respect to the ground state, based on Bell-Evans theory. Our results provide a new path for understanding the nature of hydrophobic interactions at the single molecular scale. Our approach enables us to systematically vary hydrophobic and any other interaction type by utilizing peptide chemistry providing a strategic advancement to unravel molecular surface and soft matter interactions at the single molecular scale.

  12. Predicting wind farm wake interaction with RANS: an investigation of the Coriolis force

    DEFF Research Database (Denmark)

    van der Laan, Paul; Hansen, Kurt Schaldemose; Sørensen, Niels N.

    2015-01-01

    A Reynolds-averaged Navier-Stokes code is used to simulate the interaction of two neighboring wind farms. The influence of the Coriolis force is investigated by modeling the atmospheric surface/boundary layer with three different methodologies. The results show that the Coriolis force is negligible...

  13. Investigation of the heparin-thrombin interaction by dynamic force spectroscopy.

    Science.gov (United States)

    Wang, Congzhou; Jin, Yingzi; Desai, Umesh R; Yadavalli, Vamsi K

    2015-06-01

    The interaction between heparin and thrombin is a vital step in the blood (anti)coagulation process. Unraveling the molecular basis of the interactions is therefore extremely important in understanding the mechanisms of this complex biological process. In this study, we use a combination of an efficient thiolation chemistry of heparin, a self-assembled monolayer-based single molecule platform, and a dynamic force spectroscopy to provide new insights into the heparin-thrombin interaction from an energy viewpoint at the molecular scale. Well-separated single molecules of heparin covalently attached to mixed self-assembled monolayers are demonstrated, whereby interaction forces with thrombin can be measured via atomic force microscopy-based spectroscopy. Further these interactions are studied at different loading rates and salt concentrations to directly obtain kinetic parameters. An increase in the loading rate shows a higher interaction force between the heparin and thrombin, which can be directly linked to the kinetic dissociation rate constant (koff). The stability of the heparin/thrombin complex decreased with increasing NaCl concentration such that the off-rate was found to be driven primarily by non-ionic forces. These results contribute to understanding the role of specific and nonspecific forces that drive heparin-thrombin interactions under applied force or flow conditions. Copyright © 2015 Elsevier B.V. All rights reserved.

  14. Regimes of seasonal air-sea interaction and implications for performance of forced simulations

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Renguang [Center for Ocean-Land-Atmosphere Studies, Calverton, MD (United States); Kirtman, Ben P. [Center for Ocean-Land-Atmosphere Studies, Calverton, MD (United States); George Mason University, School of Computational Sciences, Fairfax, VA (United States)

    2007-09-15

    Sea surface temperature (SST) anomalies can induce anomalous convection through surface evaporation and low-level moisture convergence. This SST forcing of the atmosphere is indicated in a positive local rainfall-SST correlation. Anomalous convection can feedback on SST through cloud-radiation and wind-evaporation effects and wind-induced oceanic mixing and upwelling. These atmospheric feedbacks are reflected in a negative local rainfall-SST tendency correlation. As such, the simultaneous rainfall-SST and rainfall-SST tendency correlations can indicate the nature of local air-sea interactions. Based on the magnitude of simultaneous rainfall-SST and rainfall-SST tendency correlations, the present study identifies three distinct regimes of local air-sea interactions. The relative importance of SST forcing and atmospheric forcing differs in these regimes. In the equatorial central-eastern Pacific and, to a smaller degree, in the western equatorial Indian Ocean, SST forcing dominates throughout the year and the surface heat flux acts mainly as a damping term. In the tropical Indo-western Pacific Ocean regions, SST forcing and atmospheric forcing dominate alternatively in different seasons. Atmospheric forcing dominates in the local warm/rainy season. SST forcing dominates with a positive wind-evaporation feedback during the transition to the cold/dry season. SST forcing also dominates during the transition to the warm/rainy season but with a negative cloud-radiation feedback. The performance of atmospheric general circulation model simulations forced by observed SST is closely linked to the regime of air-sea interaction. The forced simulations have good performance when SST forcing dominates. The performance is low or poor when atmospheric forcing dominates. (orig.)

  15. Analysis of DNA interactions using single-molecule force spectroscopy.

    Science.gov (United States)

    Ritzefeld, Markus; Walhorn, Volker; Anselmetti, Dario; Sewald, Norbert

    2013-06-01

    Protein-DNA interactions are involved in many biochemical pathways and determine the fate of the corresponding cell. Qualitative and quantitative investigations on these recognition and binding processes are of key importance for an improved understanding of biochemical processes and also for systems biology. This review article focusses on atomic force microscopy (AFM)-based single-molecule force spectroscopy and its application to the quantification of forces and binding mechanisms that lead to the formation of protein-DNA complexes. AFM and dynamic force spectroscopy are exciting tools that allow for quantitative analysis of biomolecular interactions. Besides an overview on the method and the most important immobilization approaches, the physical basics of the data evaluation is described. Recent applications of AFM-based force spectroscopy to investigate DNA intercalation, complexes involving DNA aptamers and peptide- and protein-DNA interactions are given.

  16. Modeling noncontact atomic force microscopy resolution on corrugated surfaces

    Directory of Open Access Journals (Sweden)

    Kristen M. Burson

    2012-03-01

    Full Text Available Key developments in NC-AFM have generally involved atomically flat crystalline surfaces. However, many surfaces of technological interest are not atomically flat. We discuss the experimental difficulties in obtaining high-resolution images of rough surfaces, with amorphous SiO2 as a specific case. We develop a quasi-1-D minimal model for noncontact atomic force microscopy, based on van der Waals interactions between a spherical tip and the surface, explicitly accounting for the corrugated substrate (modeled as a sinusoid. The model results show an attenuation of the topographic contours by ~30% for tip distances within 5 Å of the surface. Results also indicate a deviation from the Hamaker force law for a sphere interacting with a flat surface.

  17. Acoustic interaction forces between small particles in an ideal fluid

    DEFF Research Database (Denmark)

    Silva, Glauber T.; Bruus, Henrik

    2014-01-01

    We present a theoretical expression for the acoustic interaction force between small spherical particles suspended in an ideal fluid exposed to an external acoustic wave. The acoustic interaction force is the part of the acoustic radiation force on one given particle involving the scattered waves...... from the other particles. The particles, either compressible liquid droplets or elastic microspheres, are considered to be much smaller than the acoustic wavelength. In this so-called Rayleigh limit, the acoustic interaction forces between the particles are well approximated by gradients of pair...

  18. System modelling of a lateral force microscope

    International Nuclear Information System (INIS)

    Michal, Guillaume; Lu, Cheng; Kiet Tieu, A

    2008-01-01

    To quantitatively analyse lateral force microscope measurements one needs to develop a model able to relate the photodiode signal to the force acting on the tip apex. In this paper we focus on the modelling of the interaction between the cantilever and the optical chain. The laser beam is discretized by a set of rays which propagates in the system. The analytical equation of a single ray's position on the optical sensor is presented as a function of the reflection's state on top of the cantilever. We use a finite element analysis on the cantilever to connect the optical model with the force acting on the tip apex. A first-order approximation of the constitutive equations are derived along with a definition of the system's crosstalk. Finally, the model is used to analytically simulate the 'wedge method' in the presence of crosstalk in 2D. The analysis shows how the torsion loop and torsion offset signals are affected by the crosstalk.

  19. The Effects of Noncellulosic Compounds on the Nanoscale Interaction Forces Measured between Carbohydrate-Binding Module and Lignocellulosic Biomass.

    Science.gov (United States)

    Arslan, Baran; Colpan, Mert; Ju, Xiaohui; Zhang, Xiao; Kostyukova, Alla; Abu-Lail, Nehal I

    2016-05-09

    The lack of fundamental understanding of the types of forces that govern how cellulose-degrading enzymes interact with cellulosic and noncellulosic components of lignocellulosic surfaces limits the design of new strategies for efficient conversion of biomass to bioethanol. In a step to improve our fundamental understanding of such interactions, nanoscale forces acting between a model cellulase-a carbohydrate-binding module (CBM) of cellobiohydrolase I (CBH I)-and a set of lignocellulosic substrates with controlled composition were measured using atomic force microscopy (AFM). The three model substrates investigated were kraft (KP), sulfite (SP), and organosolv (OPP) pulped substrates. These substrates varied in their surface lignin coverage, lignin type, and xylan and acetone extractives' content. Our results indicated that the overall adhesion forces of biomass to CBM increased linearly with surface lignin coverage with kraft lignin showing the highest forces among lignin types investigated. When the overall adhesion forces were decoupled into specific and nonspecific component forces via the Poisson statistical model, hydrophobic and Lifshitz-van der Waals (LW) forces dominated the binding forces of CBM to kraft lignin, whereas permanent dipole-dipole interactions and electrostatic forces facilitated the interactions of lignosulfonates to CBM. Xylan and acetone extractives' content increased the attractive forces between CBM and lignin-free substrates, most likely through hydrogen bonding forces. When the substrates treated differently were compared, it was found that both the differences in specific and nonspecific forces between lignin-containing and lignin-free substrates were the least for OPP. Therefore, cellulase enzymes represented by CBM would weakly bind to organosolv lignin. This will facilitate an easy enzyme recovery compared to other substrates treated with kraft or sulfite pulping. Our results also suggest that altering the surface hydrophobicity

  20. Pattern formation of a nonlocal, anisotropic interaction model

    KAUST Repository

    Burger, Martin

    2017-11-24

    We consider a class of interacting particle models with anisotropic, repulsive–attractive interaction forces whose orientations depend on an underlying tensor field. An example of this class of models is the so-called Kücken–Champod model describing the formation of fingerprint patterns. This class of models can be regarded as a generalization of a gradient flow of a nonlocal interaction potential which has a local repulsion and a long-range attraction structure. In contrast to isotropic interaction models the anisotropic forces in our class of models cannot be derived from a potential. The underlying tensor field introduces an anisotropy leading to complex patterns which do not occur in isotropic models. This anisotropy is characterized by one parameter in the model. We study the variation of this parameter, describing the transition between the isotropic and the anisotropic model, analytically and numerically. We analyze the equilibria of the corresponding mean-field partial differential equation and investigate pattern formation numerically in two dimensions by studying the dependence of the parameters in the model on the resulting patterns.

  1. Pattern formation of a nonlocal, anisotropic interaction model

    KAUST Repository

    Burger, Martin; Dü ring, Bertram; Kreusser, Lisa Maria; Markowich, Peter A.; Schö nlieb, Carola-Bibiane

    2017-01-01

    We consider a class of interacting particle models with anisotropic, repulsive–attractive interaction forces whose orientations depend on an underlying tensor field. An example of this class of models is the so-called Kücken–Champod model describing the formation of fingerprint patterns. This class of models can be regarded as a generalization of a gradient flow of a nonlocal interaction potential which has a local repulsion and a long-range attraction structure. In contrast to isotropic interaction models the anisotropic forces in our class of models cannot be derived from a potential. The underlying tensor field introduces an anisotropy leading to complex patterns which do not occur in isotropic models. This anisotropy is characterized by one parameter in the model. We study the variation of this parameter, describing the transition between the isotropic and the anisotropic model, analytically and numerically. We analyze the equilibria of the corresponding mean-field partial differential equation and investigate pattern formation numerically in two dimensions by studying the dependence of the parameters in the model on the resulting patterns.

  2. Exact expressions for colloidal plane-particle interaction forces and energies with applications to atomic force microscopy

    International Nuclear Information System (INIS)

    Zypman, F R

    2006-01-01

    We begin by deriving a general useful theoretical relationship between the plane-particle interaction forces in solution, and the corresponding plane-plane interaction energies. This is the main result of the paper. It provides a simple tool to obtain closed-form particle-plane forces from knowledge of plane-plane interaction energies. To illustrate the simplicity of use of this general formalism, we apply it to find particle-plane interactions within the Derjaguin-Landau-Verwey-Overbeek (DLVO) framework. Specifically, we obtain analytical expressions for forces and interaction energies in the van der Waals and the electrical double layer cases. The van der Waals expression is calculated here for benchmarking purposes and is compared with well-established expressions from Hamaker theory. The interactions for the electric double layer situation are computed in two cases: the linear superposition approximation and the constant surface potential. In both cases, our closed-form expressions were compared with existent numerical results. We also use the main result of this paper to generate an analytical force-separation expression based on atomic force microscope experiments for a tip and surface immersed in an aqueous solution, and compare it with the corresponding numerical results. Finally, based on our main result, we generalize the Derjaguin approximation by calculating the next order of approximation, thus obtaining a formula valuable for colloidal interaction estimations

  3. Nonlinear Dynamics of Cantilever-Sample Interactions in Atomic Force Microscopy

    Science.gov (United States)

    Cantrell, John H.; Cantrell, Sean A.

    2010-01-01

    The interaction of the cantilever tip of an atomic force microscope (AFM) with the sample surface is obtained by treating the cantilever and sample as independent systems coupled by a nonlinear force acting between the cantilever tip and a volume element of the sample surface. The volume element is subjected to a restoring force from the remainder of the sample that provides dynamical equilibrium for the combined systems. The model accounts for the positions on the cantilever of the cantilever tip, laser probe, and excitation force (if any) via a basis set of set of orthogonal functions that may be generalized to account for arbitrary cantilever shapes. The basis set is extended to include nonlinear cantilever modes. The model leads to a pair of coupled nonlinear differential equations that are solved analytically using a matrix iteration procedure. The effects of oscillatory excitation forces applied either to the cantilever or to the sample surface (or to both) are obtained from the solution set and applied to the to the assessment of phase and amplitude signals generated by various acoustic-atomic force microscope (A-AFM) modalities. The influence of bistable cantilever modes of on AFM signal generation is discussed. The effects on the cantilever-sample surface dynamics of subsurface features embedded in the sample that are perturbed by surface-generated oscillatory excitation forces and carried to the cantilever via wave propagation are accounted by the Bolef-Miller propagating wave model. Expressions pertaining to signal generation and image contrast in A-AFM are obtained and applied to amplitude modulation (intermittent contact) atomic force microscopy and resonant difference-frequency atomic force ultrasonic microscopy (RDF-AFUM). The influence of phase accumulation in A-AFM on image contrast is discussed, as is the effect of hard contact and maximum nonlinearity regimes of A-AFM operation.

  4. Distinguishing magnetic and electrostatic interactions by a Kelvin probe force microscopy–magnetic force microscopy combination

    Directory of Open Access Journals (Sweden)

    Miriam Jaafar

    2011-09-01

    Full Text Available The most outstanding feature of scanning force microscopy (SFM is its capability to detect various different short and long range interactions. In particular, magnetic force microscopy (MFM is used to characterize the domain configuration in ferromagnetic materials such as thin films grown by physical techniques or ferromagnetic nanostructures. It is a usual procedure to separate the topography and the magnetic signal by scanning at a lift distance of 25–50 nm such that the long range tip–sample interactions dominate. Nowadays, MFM is becoming a valuable technique to detect weak magnetic fields arising from low dimensional complex systems such as organic nanomagnets, superparamagnetic nanoparticles, carbon-based materials, etc. In all these cases, the magnetic nanocomponents and the substrate supporting them present quite different electronic behavior, i.e., they exhibit large surface potential differences causing heterogeneous electrostatic interaction between the tip and the sample that could be interpreted as a magnetic interaction. To distinguish clearly the origin of the tip–sample forces we propose to use a combination of Kelvin probe force microscopy (KPFM and MFM. The KPFM technique allows us to compensate in real time the electrostatic forces between the tip and the sample by minimizing the electrostatic contribution to the frequency shift signal. This is a great challenge in samples with low magnetic moment. In this work we studied an array of Co nanostructures that exhibit high electrostatic interaction with the MFM tip. Thanks to the use of the KPFM/MFM system we were able to separate the electric and magnetic interactions between the tip and the sample.

  5. A novel three-filament model of force generation in eccentric contraction of skeletal muscles.

    Directory of Open Access Journals (Sweden)

    Gudrun Schappacher-Tilp

    Full Text Available We propose and examine a three filament model of skeletal muscle force generation, thereby extending classical cross-bridge models by involving titin-actin interaction upon active force production. In regions with optimal actin-myosin overlap, the model does not alter energy and force predictions of cross-bridge models for isometric contractions. However, in contrast to cross-bridge models, the three filament model accurately predicts history-dependent force generation in half sarcomeres for eccentric and concentric contractions, and predicts the activation-dependent forces for stretches beyond actin-myosin filament overlap.

  6. Eutectic composite NiAl-Cr properties modeling based on interatomic interaction forces

    Science.gov (United States)

    Badamshin, I. Kh

    2018-03-01

    For new materials, information on the elasticity and strength characteristics necessary for calculating the stress-strain state of the turbine blades is limited. In these conditions, there is a need for theoretical methods for calculating the elastic and strength characteristics. The proposed theoretical methods are based on forces of interatomic interaction calculation. The classical methods based on the hypothesis of continuity do not allow calculating the material strength and thermophysical properties.

  7. Monitoring ligand-receptor interactions by photonic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Jeney, Sylvia [M E Mueller Institute for Structural Biology, Biozentrum, University of Basel, Klingelbergstrasse 70, Basel, 4056 (Switzerland); Mor, Flavio; Forro, Laszlo [Laboratory of Complex Matter Physics (LPMC), Ecole Polytechnique Federale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Koszali, Roland [Institute for Information and Communication Technologies (IICT), University of Applied Sciences of Western Switzerland (HEIG-VD), Rue Galilee 15, CH 1401 Yverdon-les-bains (Switzerland); Moy, Vincent T, E-mail: sylvia.jeney@unibas.ch, E-mail: vmoy@miami.edu [Department of Physiology and Biophysics, University of Miami Miller School of Medicine, 1600 NW 10th Avenue, Miami, FL 33136 (United States)

    2010-06-25

    We introduce a method for the acquisition of single molecule force measurements of ligand-receptor interactions using the photonic force microscope (PFM). Biotin-functionalized beads, manipulated with an optical trap, and a streptavidin-functionalized coverslip were used to measure the effect of different pulling forces on the lifetime of individual streptavidin-biotin complexes. By optimizing the design of the optical trap and selection of the appropriate bead size, pulling forces in excess of 50 pN were achieved. Based on the amplitude of three-dimensional (3D) thermal position fluctuations of the attached bead, we were able to select for a bead-coverslip interaction that was mediated by a single streptavidin-biotin complex. Moreover, the developed experimental system was greatly accelerated by automation of data acquisition and analysis. In force-dependent kinetic measurements carried out between streptavidin and biotin, we observed that the streptavidin-biotin complex exhibited properties of a catch bond, with the lifetime increasing tenfold when the pulling force increased from 10 to 20 pN. We also show that silica beads were more appropriate than polystyrene beads for the force measurements, as tethers, longer than 200 nm, could be extracted from polystyrene beads.

  8. Monitoring ligand-receptor interactions by photonic force microscopy

    International Nuclear Information System (INIS)

    Jeney, Sylvia; Mor, Flavio; Forro, Laszlo; Koszali, Roland; Moy, Vincent T

    2010-01-01

    We introduce a method for the acquisition of single molecule force measurements of ligand-receptor interactions using the photonic force microscope (PFM). Biotin-functionalized beads, manipulated with an optical trap, and a streptavidin-functionalized coverslip were used to measure the effect of different pulling forces on the lifetime of individual streptavidin-biotin complexes. By optimizing the design of the optical trap and selection of the appropriate bead size, pulling forces in excess of 50 pN were achieved. Based on the amplitude of three-dimensional (3D) thermal position fluctuations of the attached bead, we were able to select for a bead-coverslip interaction that was mediated by a single streptavidin-biotin complex. Moreover, the developed experimental system was greatly accelerated by automation of data acquisition and analysis. In force-dependent kinetic measurements carried out between streptavidin and biotin, we observed that the streptavidin-biotin complex exhibited properties of a catch bond, with the lifetime increasing tenfold when the pulling force increased from 10 to 20 pN. We also show that silica beads were more appropriate than polystyrene beads for the force measurements, as tethers, longer than 200 nm, could be extracted from polystyrene beads.

  9. Validation of Multibody Program to Optimize Simulated Trajectories II Parachute Simulation with Interacting Forces

    Science.gov (United States)

    Raiszadeh, Behzad; Queen, Eric M.; Hotchko, Nathaniel J.

    2009-01-01

    A capability to simulate trajectories of multiple interacting rigid bodies has been developed, tested and validated. This capability uses the Program to Optimize Simulated Trajectories II (POST 2). The standard version of POST 2 allows trajectory simulation of multiple bodies without force interaction. In the current implementation, the force interaction between the parachute and the suspended bodies has been modeled using flexible lines, allowing accurate trajectory simulation of the individual bodies in flight. The POST 2 multibody capability is intended to be general purpose and applicable to any parachute entry trajectory simulation. This research paper explains the motivation for multibody parachute simulation, discusses implementation methods, and presents validation of this capability.

  10. Fluid-Structure Interaction Analysis of Papillary Muscle Forces Using a Comprehensive Mitral Valve Model with 3D Chordal Structure.

    Science.gov (United States)

    Toma, Milan; Jensen, Morten Ø; Einstein, Daniel R; Yoganathan, Ajit P; Cochran, Richard P; Kunzelman, Karyn S

    2016-04-01

    Numerical models of native heart valves are being used to study valve biomechanics to aid design and development of repair procedures and replacement devices. These models have evolved from simple two-dimensional approximations to complex three-dimensional, fully coupled fluid-structure interaction (FSI) systems. Such simulations are useful for predicting the mechanical and hemodynamic loading on implanted valve devices. A current challenge for improving the accuracy of these predictions is choosing and implementing modeling boundary conditions. In order to address this challenge, we are utilizing an advanced in vitro system to validate FSI conditions for the mitral valve system. Explanted ovine mitral valves were mounted in an in vitro setup, and structural data for the mitral valve was acquired with [Formula: see text]CT. Experimental data from the in vitro ovine mitral valve system were used to validate the computational model. As the valve closes, the hemodynamic data, high speed leaflet dynamics, and force vectors from the in vitro system were compared to the results of the FSI simulation computational model. The total force of 2.6 N per papillary muscle is matched by the computational model. In vitro and in vivo force measurements enable validating and adjusting material parameters to improve the accuracy of computational models. The simulations can then be used to answer questions that are otherwise not possible to investigate experimentally. This work is important to maximize the validity of computational models of not just the mitral valve, but any biomechanical aspect using computational simulation in designing medical devices.

  11. Protein-Ligand Informatics Force Field (PLIff): Toward a Fully Knowledge Driven "Force Field" for Biomolecular Interactions.

    Science.gov (United States)

    Verdonk, Marcel L; Ludlow, R Frederick; Giangreco, Ilenia; Rathi, Prakash Chandra

    2016-07-28

    The Protein Data Bank (PDB) contains a wealth of data on nonbonded biomolecular interactions. If this information could be distilled down to nonbonded interaction potentials, these would have some key advantages over standard force fields. However, there are some important outstanding issues to address in order to do this successfully. This paper introduces the protein-ligand informatics "force field", PLIff, which begins to address these key challenges ( https://bitbucket.org/AstexUK/pli ). As a result of their knowledge-based nature, the next-generation nonbonded potentials that make up PLIff automatically capture a wide range of interaction types, including special interactions that are often poorly described by standard force fields. We illustrate how PLIff may be used in structure-based design applications, including interaction fields, fragment mapping, and protein-ligand docking. PLIff performs at least as well as state-of-the art scoring functions in terms of pose predictions and ranking compounds in a virtual screening context.

  12. The Color Mutation Model for soft interaction

    International Nuclear Information System (INIS)

    Hwa, R.C.

    1998-01-01

    A comprehensive model for soft interaction is presented. It overcomes all the shortcomings of the existing models - in particular, the failure of Fritiof and Venus models in predicting the correct multiplicity fluctuations as observed in the intermittency data. The Color Mutation Model incorporates all the main features of hadronic interaction: eikonal formalism, parton model, evolution in color space according to QCD, branching of color neutral clusters, contraction due to confinement forces, dynamical self-similarity, resonance production, and power-law behavior of factorial moments. (author)

  13. Mechanism of transient force augmentation varying with two distinct timescales for interacting vortex rings

    Science.gov (United States)

    Fu, Zhidong; Qin, Suyang; Liu, Hong

    2014-01-01

    The dynamics of dual vortex ring flows is studied experimentally and numerically in a model system that consists of a piston-cylinder apparatus. The flows are generated by double identical strokes which have the velocity profile characterized by the sinusoidal function of half the period. By calculating the total wake impulse in two strokes in the experiments, it is found that the average propulsive force increases by 50% in the second stroke for the sufficiently small stroke length, compared with the first stroke. In the numerical simulations, two types of transient force augmentation are revealed, there being the transient force augmentation for the small stroke lengths and the absolute transient force augmentation for the large stroke lengths. The relative transient force augmentation increases to 78% for L/D = 1, while the absolute transient force augmentation for L/D = 4 is twice as much as that for L/D = 1. Further investigation demonstrates that the force augmentation is attributed to the interaction between vortex rings, which induces transport of vortex impulse and more evident fluid entrainment. The critical situation of vortex ring separation is defined and indicated, with vortex spacing falling in a narrow gap when the stroke lengths vary. A new model is proposed concerning the limiting process of impulse, further suggesting that apart from vortex formation timescale, vortex spacing should be interpreted as an independent timescale to reflect the dynamics of vortex interaction.

  14. Lightning Forcing in Global Fire Models: The Importance of Temporal Resolution

    Science.gov (United States)

    Felsberg, A.; Kloster, S.; Wilkenskjeld, S.; Krause, A.; Lasslop, G.

    2018-01-01

    In global fire models, lightning is typically prescribed from observational data with monthly mean temporal resolution while meteorological forcings, such as precipitation or temperature, are prescribed in a daily resolution. In this study, we investigate the importance of the temporal resolution of the lightning forcing for the simulation of burned area by varying from daily to monthly and annual mean forcing. For this, we utilize the vegetation fire model JSBACH-SPITFIRE to simulate burned area, forced with meteorological and lightning data derived from the general circulation model ECHAM6. On a global scale, differences in burned area caused by lightning forcing applied in coarser temporal resolution stay below 0.55% compared to the use of daily mean forcing. Regionally, however, differences reach up to 100%, depending on the region and season. Monthly averaged lightning forcing as well as the monthly lightning climatology cause differences through an interaction between lightning ignitions and fire prone weather conditions, accounted for by the fire danger index. This interaction leads to decreased burned area in the boreal zone and increased burned area in the Tropics and Subtropics under the coarser temporal resolution. The exclusion of interannual variability, when forced with the lightning climatology, has only a minor impact on the simulated burned area. Annually averaged lightning forcing causes differences as a direct result of the eliminated seasonal characteristics of lightning. Burned area is decreased in summer and increased in winter where fuel is available. Regions with little seasonality, such as the Tropics and Subtropics, experience an increase in burned area.

  15. Seismic response of pile foundations and pile forces caused by kinematic and inertial interaction

    International Nuclear Information System (INIS)

    Hartmann, H.G.; Waas, G.

    1985-01-01

    The horizontal motion and pile forces of pile groups subjected to earthquake excitation are analysed. The piles are modelled as linear elastic beam elements embedded in a layered linear visco-elastic soil medium. Pile-soil-pile interaction is included. The earthquake excitation results from vertically propagating shear waves. Kinematic and inertial interaction effects on foundation motion and pile forces are studied for a single pile, a small pile group and a large pile group. Soft and stiff soil conditions are considered, and the effect of a flexible vs. a rigid halfspace below the soil layers is shown. (orig.)

  16. Interaction force and motion estimators facilitating impedance control of the upper limb rehabilitation robot.

    Science.gov (United States)

    Mancisidor, Aitziber; Zubizarreta, Asier; Cabanes, Itziar; Bengoa, Pablo; Jung, Je Hyung

    2017-07-01

    In order to enhance the performance of rehabilitation robots, it is imperative to know both force and motion caused by the interaction between user and robot. However, common direct measurement of both signals through force and motion sensors not only increases the complexity of the system but also impedes affordability of the system. As an alternative of the direct measurement, in this work, we present new force and motion estimators for the proper control of the upper-limb rehabilitation Universal Haptic Pantograph (UHP) robot. The estimators are based on the kinematic and dynamic model of the UHP and the use of signals measured by means of common low-cost sensors. In order to demonstrate the effectiveness of the estimators, several experimental tests were carried out. The force and impedance control of the UHP was implemented first by directly measuring the interaction force using accurate extra sensors and the robot performance was compared to the case where the proposed estimators replace the direct measured values. The experimental results reveal that the controller based on the estimators has similar performance to that using direct measurement (less than 1 N difference in root mean square error between two cases), indicating that the proposed force and motion estimators can facilitate implementation of interactive controller for the UHP in robotmediated rehabilitation trainings.

  17. Actuator forces in CFD: RANS and LES modeling in OpenFOAM

    International Nuclear Information System (INIS)

    Schito, P; Zasso, A

    2014-01-01

    Wind turbine wakes are a very challenging topic for scientific computations, but modern CFD frameworks and latest HPC centers allow setting up numerical computations on the wake induced by the wind turbine. The main issues is that the correct modeling of the wake is related to the correct modeling of the interaction between the blade and the incoming flow. The aim of the proposed work is to estimate the aerodynamic forces acting on the blades in order to correctly generate the rotor wake applying equivalent aerodynamic force source on the flow. The definition of a blade forces is done developing a model able to correctly estimate this aerodynamic forces as a function of the local flow seen by the blade during its revolution

  18. Tire-soil interaction model for turning (steered) tires

    Science.gov (United States)

    Karafiath, L. L.

    1985-07-01

    A review of the experimental information on the development of lateral forces on tires traveling at an angle to their center plane is presented and the usefulness of the consideration of the lateral forces for the development of an analytical model is evaluated. Major components of the lateral force have been identified as the forces required to balance the tractive force and the drawbar pull vectorially. These are the shear stresses developing in the contact area and the horizontal component of the normal stresses acting on the in-ground portion or the curved side walls of the tire. The tire-soil interaction model for steady state straight travel has been expanded to include the necessary algorithms for the calculation of these lateral forces. The pattern of tractive force-slip and longitudinal-lateral force relationships is in general agreement with experiments.

  19. Lepton Flavorful Fifth Force and Depth-Dependent Neutrino Matter Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Wise, Mark B. [Caltech; Zhang, Yue [Northwestern U.

    2018-03-01

    We consider a fifth force to be an interaction that couples to matter with a strength that grows with the number of atoms. In addition to competing with the strength of gravity a fifth force can give rise to violations of the equivalence principle. Current long range constraints on the strength and range of fifth forces are very impressive. Amongst possible fifth forces are those that couple to lepton flavorful charges $L_e-L_{\\mu}$ or $L_e-L_{\\tau}$. They have the property that their range and strength are also constrained by neutrino interactions with matter. In this brief note we review the existing constraints on the allowed parameter space in gauged $U(1)_{L_e-L_{\\mu}, L_{\\tau}}$. We find two regions where neutrino oscillation experiments are at the frontier of probing such a new force. In particular, there is an allowed range of parameter space where neutrino matter interactions relevant for long baseline oscillation experiments depend on the depth of the neutrino beam below the surface of the earth.

  20. Analysis of the forced vibration test of the Hualien large scale soil-structure interaction model using a flexible volume substructuring method

    International Nuclear Information System (INIS)

    Tang, H.T.; Nakamura, N.

    1995-01-01

    A 1/4-scale cylindrical reactor containment model was constructed in Hualien, Taiwan for foil-structure interaction (SSI) effect evaluation and SSI analysis procedure verification. Forced vibration tests were executed before backfill (FVT-1) and after backfill (FVT-2) to characterize soil-structure system characteristics under low excitations. A number of organizations participated in the pre-test blind prediction and post-test correlation analyses of the forced vibration test using various industry familiar methods. In the current study, correlation analyses were performed using a three-dimensional flexible volume substructuring method. The results are reported and soil property sensitivities are evaluated in the paper. (J.P.N.)

  1. The effect of force feedback delay on stiffness perception and grip force modulation during tool-mediated interaction with elastic force fields.

    Science.gov (United States)

    Leib, Raz; Karniel, Amir; Nisky, Ilana

    2015-05-01

    During interaction with objects, we form an internal representation of their mechanical properties. This representation is used for perception and for guiding actions, such as in precision grip, where grip force is modulated with the predicted load forces. In this study, we explored the relationship between grip force adjustment and perception of stiffness during interaction with linear elastic force fields. In a forced-choice paradigm, participants probed pairs of virtual force fields while grasping a force sensor that was attached to a haptic device. For each pair, they were asked which field had higher level of stiffness. In half of the pairs, the force feedback of one of the fields was delayed. Participants underestimated the stiffness of the delayed field relatively to the nondelayed, but their grip force characteristics were similar in both conditions. We analyzed the magnitude of the grip force and the lag between the grip force and the load force in the exploratory probing movements within each trial. Right before answering which force field had higher level of stiffness, both magnitude and lag were similar between delayed and nondelayed force fields. These results suggest that an accurate internal representation of environment stiffness and time delay was used for adjusting the grip force. However, this representation did not help in eliminating the bias in stiffness perception. We argue that during performance of a perceptual task that is based on proprioceptive feedback, separate neural mechanisms are responsible for perception and action-related computations in the brain. Copyright © 2015 the American Physiological Society.

  2. A Hard Constraint Algorithm to Model Particle Interactions in DNA-laden Flows

    Energy Technology Data Exchange (ETDEWEB)

    Trebotich, D; Miller, G H; Bybee, M D

    2006-08-01

    We present a new method for particle interactions in polymer models of DNA. The DNA is represented by a bead-rod polymer model and is fully-coupled to the fluid. The main objective in this work is to implement short-range forces to properly model polymer-polymer and polymer-surface interactions, specifically, rod-rod and rod-surface uncrossing. Our new method is based on a rigid constraint algorithm whereby rods elastically bounce off one another to prevent crossing, similar to our previous algorithm used to model polymer-surface interactions. We compare this model to a classical (smooth) potential which acts as a repulsive force between rods, and rods and surfaces.

  3. Interaction of cement model systems with superplasticizers investigated by atomic force microscopy, zeta potential, and adsorption measurements.

    Science.gov (United States)

    Ferrari, Lucia; Kaufmann, Josef; Winnefeld, Frank; Plank, Johann

    2010-07-01

    Polyelectrolyte-based dispersants are commonly used in a wide range of industrial applications to provide specific workability to colloidal suspensions. Their working mechanism is based on adsorption onto the surfaces of the suspended particles. The adsorbed polymer layer can exercise an electrostatic and/or a steric effect which is responsible for achieving dispersion. This study is focused on the dispersion forces induced by polycarboxylate ether-based superplasticizers (PCEs) commonly used in concrete. They are investigated by atomic force microscopy (AFM) applying standard silicon nitride tips exposed to solutions with different ionic compositions in a wet cell. Adsorption isotherms and zeta potential analysis were performed to characterize polymer displacement in the AFM system on nonreactive model substrates (quartz, mica, calcite, and magnesium oxide) in order to avoid the complexity of cement hydration products. The results show that PCE is strongly adsorbed by positively charged materials. This fact reveals that, being silicon nitride naturally positively charged, in most cases the superplasticizer adsorbs preferably on the silicon nitride tip than on the AFM substrate. However, the force-distance curves displayed repulsive interactions between tip and substrates even when polymer was poorly adsorbed on both. These observations allow us to conclude that the dispersion due to PCE strongly depends on the particle charge. It differs between colloids adsorbing and not adsorbing PCE, and leads to different forces acting between the particles. Copyright 2010 Elsevier Inc. All rights reserved.

  4. Model test on interaction of reactor building and soil. Part 1

    International Nuclear Information System (INIS)

    Iguchi, M.; Akino, K.; Kiva, Y.

    1989-01-01

    Theoretical and experimental studies on the effects of dynamic interaction between structures and soil have been carried out in recent years. Most of the dynamic tests, however, have been conducted using comparatively small-scale models. In order to evaluate the effects of soil-structure interaction for rigid structure such as reactor building, a series of tests, including forced vibration test and earthquake observations, was carried out. Large-scale models constructed on an actual soil were used. These tests included forced vibration tests on individual foundations, on foundations with superstructures, on cross interaction through the soil between adjacent structures. Tests on the embedded effects of foundation, on artificial ground-shaking, on large amplitude excitation, and aging effects in soil properties were performed. This paper describes the results of forced vibration tests and analyses of cross interaction through the soil between adjacent structures

  5. Simplified TiO2 force fields for studies of its interaction with biomolecules

    Science.gov (United States)

    Luan, Binquan; Huynh, Tien; Zhou, Ruhong

    2015-06-01

    Engineered TiO2 nanoparticles have been routinely applied in nanotechnology, as well as in cosmetics and food industries. Despite active experimental studies intended to clarify TiO2's biological effects, including potential toxicity, the relation between experimentally inferred nanotoxicity and industry standards for safely applying nanoparticles remains somewhat ambiguous with justified concerns. Supplemental to experiments, molecular dynamics simulations have proven to be efficacious in investigating the molecular mechanism of a biological process occurring at nanoscale. In this article, to facilitate the nanotoxicity and nanomedicine research related to this important metal oxide, we provide a simplified force field, based on the original Matsui-Akaogi force field but compatible to the Lennard-Jones potentials normally used in modeling biomolecules, for simulating TiO2 nanoparticles interacting with biomolecules. The force field parameters were tested in simulating the bulk structure of TiO2, TiO2 nanoparticle-water interaction, as well as the adsorption of proteins on the TiO2 nanoparticle. We demonstrate that these simulation results are consistent with experimental data/observations. We expect that simulations will help to better understand the interaction between TiO2 and molecules.

  6. Probing the nanoscale interaction forces and elastic properties of organic and inorganic materials using force-distance (F-D) spectroscopy

    Science.gov (United States)

    Vincent, Abhilash

    Due to their therapeutic applications such as radical scavenging, MRI contrast imaging, Photoluminescence imaging, drug delivery, etc., nanoparticles (NPs) have a significant importance in bio-nanotechnology. The reason that prevents the utilizing NPs for drug delivery in medical field is mostly due to their biocompatibility issues (incompatibility can lead to toxicity and cell death). Changes in the surface conditions of NPs often lead to NP cytotoxicity. Investigating the role of NP surface properties (surface charges and surface chemistry) on their interactions with biomolecules (Cells, protein and DNA) could enhance the current understanding of NP cytotoxicity. Hence, it is highly beneficial to the nanotechnology community to bring more attention towards the enhancement of surface properties of NPs to make them more biocompatible and less toxic to biological systems. Surface functionalization of NPs using specific ligand biomolecules have shown to enhance the protein adsorption and cellular uptake through more favorable interaction pathways. Cerium oxide NPs (CNPs also known as nanoceria) are potential antioxidants in cell culture models and understanding the nature of interaction between cerium oxide NPs and biological proteins and cells are important due to their therapeutic application (especially in site specific drug delivery systems). The surface charges and surface chemistry of CNPs play a major role in protein adsorption and cellular uptake. Hence, by tuning the surface charges and by selecting proper functional molecules on the surface, CNPs exhibiting strong adhesion to biological materials can be prepared. By probing the nanoscale interaction forces acting between CNPs and protein molecules using Atomic Force Microscopy (AFM) based force-distance (F-D) spectroscopy, the mechanism of CNP-protein adsorption and CNP cellular uptake can be understood more quantitatively. The work presented in this dissertation is based on the application of AFM in

  7. Reconsideration of dynamic force spectroscopy analysis of streptavidin-biotin interactions.

    Science.gov (United States)

    Taninaka, Atsushi; Takeuchi, Osamu; Shigekawa, Hidemi

    2010-05-13

    To understand and design molecular functions on the basis of molecular recognition processes, the microscopic probing of the energy landscapes of individual interactions in a molecular complex and their dependence on the surrounding conditions is of great importance. Dynamic force spectroscopy (DFS) is a technique that enables us to study the interaction between molecules at the single-molecule level. However, the obtained results differ among previous studies, which is considered to be caused by the differences in the measurement conditions. We have developed an atomic force microscopy technique that enables the precise analysis of molecular interactions on the basis of DFS. After verifying the performance of this technique, we carried out measurements to determine the landscapes of streptavidin-biotin interactions. The obtained results showed good agreement with theoretical predictions. Lifetimes were also well analyzed. Using a combination of cross-linkers and the atomic force microscope that we developed, site-selective measurement was carried out, and the steps involved in bonding due to microscopic interactions are discussed using the results obtained by site-selective analysis.

  8. Quantification of the Force of Nanoparticle-Cell Membrane Interactions and Its Influence on Intracellular Trafficking of Nanoparticles

    Science.gov (United States)

    Vasir, Jaspreet K.; Labhasetwar, Vinod

    2008-01-01

    Understanding the interaction of nanoparticles (NPs) with the cell membrane and their trafficking through cells is imperative to fully explore the use of NPs for efficient intracellular delivery of therapeutics. Here, we report a novel method of measuring the force of NP-cell membrane interactions using atomic force microscopy (AFM). Poly(dl-lactide co-glycolide, PLGA) NPs functionalized with poly-l-lysine were used as a model system, to demonstrate that this force determines the adhesive interaction of NPs with the cell membrane and in turn the extent of cellular uptake of NPs, and hence that of the encapsulated therapeutic. Cellular uptake of NPs was monitored using AFM imaging, and the dynamics of their intracellular distribution was quantified using confocal microscopy. Results demonstrated that the functionalized NPs have a five-fold greater force of adhesion with the cell membrane and the time-lapse AFM images show their rapid internalization than unmodified NPs. The intracellular trafficking study showed that the functionalized NPs escape more rapidly and efficiently from late endosomes than unmodified NPs and result in 10-fold higher intracellular delivery of the encapsulated model protein. The findings described herein enhance our basic understanding of the NP-cell membrane interaction on the basis of physical phenomena that could have wider applications in developing efficient nanocarrier systems for intracellular delivery of therapeutics. PMID:18692238

  9. Three-quark forces and the role of meson exchanges in weak NN interaction

    International Nuclear Information System (INIS)

    Grach, I.; Shmatikov, M.

    1989-01-01

    The contribution of weak three-quark forces involving meson exchanges to the longitudinal analyzing power A L in the low-energy pp-scattering is calculated. The nonrelativistic potential model is used for the desorption of strong quark interactions while their weak coupling is described by the Weinberg-Salam lagrangian. The dominant mechanism of parity violation in the NN system (provided the one-pion exchange is forbidden by selection rules) is the contact interaction of quarks. 17 refs.; 3 figs

  10. Depletion interaction measured by colloidal probe atomic force microscopy

    NARCIS (Netherlands)

    Wijting, W.K.; Knoben, W.; Besseling, N.A.M.; Leermakers, F.A.M.; Cohen Stuart, M.A.

    2004-01-01

    We investigated the depletion interaction between stearylated silica surfaces in cyclohexane in the presence of dissolved polydimethylsiloxane by means of colloidal probe atomic force microscopy. We found that the range of the depletion interaction decreases with increasing concentration.

  11. Numerical modelling of forces, stresses and breakages of concrete armour units

    NARCIS (Netherlands)

    Latham, John Paul; Xiang, Jiansheng; Anastasaki, Eleni; Guo, Liwei; Karantzoulis, Nikolaos; Viré, A.C.; Pain, Christopher

    2014-01-01

    Numerical modelling has the potential to probe the complexity of the interacting physics of rubble mound armour systems. Through forward modelling of armour unit packs, stochastic variables such as unit displacement and maximum contact force per unit during an external oscillatory disturbance can

  12. Modelling and simulation of particle-particle interaction in a magnetophoretic bio-separation chip

    Science.gov (United States)

    Alam, Manjurul; Golozar, Matin; Darabi, Jeff

    2018-04-01

    A Lagrangian particle trajectory model is developed to predict the interaction between cell-bead particle complexes and to track their trajectories in a magnetophoretic bio-separation chip. Magnetic flux gradients are simulated in the OpenFOAM CFD software and imported into MATLAB to obtain the trapping lengths and trajectories of the particles. A connector vector is introduced to calculate the interaction force between cell-bead complexes as they flow through a microfluidic device. The interaction force calculations are performed for cases where the connector vector is parallel, perpendicular, and at an angle of 45° with the applied magnetic field. The trajectories of the particles are simulated by solving a system of eight ordinary differential equations using a fourth order Runge-Kutta method. The model is then used to study the effects of geometric positions and angles of the connector vector between the particles as well as the cell size, number of beads per cell, and flow rate on the interaction force and trajectories of the particles. The results show that the interaction forces may be attractive or repulsive, depending on the orientation of the connector vector distance between the particle complexes and the applied magnetic field. When the interaction force is attractive, the particles are observed to merge and trap sooner than a single particle, whereas a repulsive interaction force has little or no effect on the trapping length.

  13. Optical Near-field Interactions and Forces for Optoelectronic Devices

    Science.gov (United States)

    Kohoutek, John Michael

    Throughout history, as a particle view of the universe began to take shape, scientists began to realize that these particles were attracted to each other and hence came up with theories, both analytical and empirical in nature, to explain their interaction. The interaction pair potential (empirical) and electromagnetics (analytical) theories, both help to explain not only the interaction between the basic constituents of matter, such as atoms and molecules, but also between macroscopic objects, such as two surfaces in close proximity. The electrostatic force, optical force, and Casimir force can be categorized as such forces. A surface plasmon (SP) is a collective motion of electrons generated by light at the interface between two mediums of opposite signs of dielectric susceptibility (e.g. metal and dielectric). Recently, surface plasmon resonance (SPR) has been exploited in many areas through the use of tiny antennas that work on similar principles as radio frequency (RF) antennas in optoelectronic devices. These antennas can produce a very high gradient in the electric field thereby leading to an optical force, similar in concept to the surface forces discussed above. The Atomic Force Microscope (AFM) was introduced in the 1980s at IBM. Here we report on its uses in measuring these aforementioned forces and fields, as well as actively modulating and manipulating multiple optoelectronic devices. We have shown that it is possible to change the far field radiation pattern of an optical antenna-integrated device through modification of the near-field of the device. This modification is possible through change of the local refractive index or reflectivity of the "hot spot" of the device, either mechanically or optically. Finally, we have shown how a mechanically active device can be used to detect light with high gain and low noise at room temperature. It is the aim of several of these integrated and future devices to be used for applications in molecular sensing

  14. Propagation of the state change induced by external forces in local interactions

    Science.gov (United States)

    Lu, Jianjun; Tokinaga, Shozo

    2016-10-01

    This paper analyses the propagation of the state changes of agents that are induced by external forces applied to a plane. In addition, we propose two models for the behavior of the agents placed on a lattice plane, both of which are affected by local interactions. We first assume that agents are allowed to move to another site to maximise their satisfaction. Second, we utilise a model in which the agents choose activities on each site. The results show that the migration (activity) patterns of agents in both models achieve stability without any external forces. However, when we apply an impulsive external force to the state of the agents, we then observe the propagation of the changes in the agents' states. Using simulation studies, we show the conditions for the propagation of the state changes of the agents. We also show the propagation of the state changes of the agents allocated in scale-free networks and discuss the estimation of the agents' decisions in real state changes. Finally, we discuss the estimation of the agents' decisions in real state temporal changes using economic and social data from Japan and the United States.

  15. Autogenic and Allogenic: Emergent Coastline Patterns Interact With Forcing Variations

    Science.gov (United States)

    Murray, A. B.; Alvarez Antolinez, J. A.; Mendez, F. J.; Moore, L. J.; Wood, J.; Farley, G.

    2017-12-01

    A range of coastline shapes can emerge from large-scale morphodynamic interactions. Coastline shape determines local wave influences. Local wave influences (fluxes of alongshore momentum), determine sediment fluxes, and gradients in these sediment fluxes, in turn, alter coastline shape. Modeling studies show that such feedbacks lead to an instability, and to subsequent finite-amplitude interactions, producing self-organized patterns and emergent structures including sandwaves, capes, and spits (e.g. Ashton and Murray, 2006; Ashton et al., 2015); spiral bays on rocky coastlines (e.g. Barkwith et al., 2014); and convex, spit-bounded coastlines (Ells et al., in prep.). Coastline shapes depend sensitively on wave climate, defined as the angular distribution of wave influences on alongshore sediment transport. Therefore, shifts in wave climate arising from shifts in storms (decadal scale fluctuations or longer-term trends) will tend to change coastline shape. Previous efforts have detected changing coastline shape, likely related to changing influence from hurricane-generated waves, as expressed in changes in the location and intensity of coastal erosion zones along the cuspate capes in North Carolina, USA (Moore et al., 2013). These efforts involved the assumption that coastline response to changing forcing occurs in a quasi-equilibrium manner. However, in some cases coastline responses can exhibit long-term memory and path dependence (Thomas et al., 2016). Recently, we have hindcast the wave climate affecting the North Carolina coast since 1870, using a series of statistical analyses to downscale from basin-scale surface pressure fields to regional deep-water wave climate, and then a numerical transformation to local offshore wave climate. We used this wave climate as input for the Coastline Evolution Model (CEM). The results show that the emergent coastline features respond to decadal-scale shifts in wave climate, but with time lags that complicate the relationship

  16. Scalar self-interactions loosen constraints from fifth force searches

    International Nuclear Information System (INIS)

    Gubser, Steven S.; Khoury, Justin

    2004-01-01

    The mass of a scalar field mediating a fifth force is tightly constrained by experiments. We show, however, that adding a quartic self-interaction for such a scalar makes most tests much less constraining: the nonlinear equation of motion masks the coupling of the scalar to matter through the chameleon mechanism. We discuss consequences for fifth force experiments. In particular, we find that, with quartic coupling of order unity, a gravitational strength interaction with matter is allowed by current constraints. We show that our chameleon scalar field results in experimental signatures that could be detected through modest improvements of current laboratory set-ups

  17. On the relationship between aerosol model uncertainty and radiative forcing uncertainty.

    Science.gov (United States)

    Lee, Lindsay A; Reddington, Carly L; Carslaw, Kenneth S

    2016-05-24

    The largest uncertainty in the historical radiative forcing of climate is caused by the interaction of aerosols with clouds. Historical forcing is not a directly measurable quantity, so reliable assessments depend on the development of global models of aerosols and clouds that are well constrained by observations. However, there has been no systematic assessment of how reduction in the uncertainty of global aerosol models will feed through to the uncertainty in the predicted forcing. We use a global model perturbed parameter ensemble to show that tight observational constraint of aerosol concentrations in the model has a relatively small effect on the aerosol-related uncertainty in the calculated forcing between preindustrial and present-day periods. One factor is the low sensitivity of present-day aerosol to natural emissions that determine the preindustrial aerosol state. However, the major cause of the weak constraint is that the full uncertainty space of the model generates a large number of model variants that are equally acceptable compared to present-day aerosol observations. The narrow range of aerosol concentrations in the observationally constrained model gives the impression of low aerosol model uncertainty. However, these multiple "equifinal" models predict a wide range of forcings. To make progress, we need to develop a much deeper understanding of model uncertainty and ways to use observations to constrain it. Equifinality in the aerosol model means that tuning of a small number of model processes to achieve model-observation agreement could give a misleading impression of model robustness.

  18. Forced vibration test on large scale model on soft rock site

    International Nuclear Information System (INIS)

    Kobayashi, Toshio; Fukuoka, Atsunobu; Izumi, Masanori; Miyamoto, Yuji; Ohtsuka, Yasuhiro; Nasuda, Toshiaki.

    1991-01-01

    Forced vibration tests were conducted in order to investigate the embedment effect on dynamic soil-structure interaction. Two model structures were constructed on actual soil about 60 m apart, after excavating the ground to 5 m depth. For both models, the sinusoidal forced vibration tests were performed with the conditions of different embedment depth, namely non-embedment, half-embedment and full-embedment. As the test results, the increase in both natural frequency and damping factor due to the embedment effects can be observed, and the soil impedances calculated from test results are discussed. (author)

  19. Nanophotonic force microscopy: characterizing particle-surface interactions using near-field photonics.

    Science.gov (United States)

    Schein, Perry; Kang, Pilgyu; O'Dell, Dakota; Erickson, David

    2015-02-11

    Direct measurements of particle-surface interactions are important for characterizing the stability and behavior of colloidal and nanoparticle suspensions. Current techniques are limited in their ability to measure pico-Newton scale interaction forces on submicrometer particles due to signal detection limits and thermal noise. Here we present a new technique for making measurements in this regime, which we refer to as nanophotonic force microscopy. Using a photonic crystal resonator, we generate a strongly localized region of exponentially decaying, near-field light that allows us to confine small particles close to a surface. From the statistical distribution of the light intensity scattered by the particle we are able to map out the potential well of the trap and directly quantify the repulsive force between the nanoparticle and the surface. As shown in this Letter, our technique is not limited by thermal noise, and therefore, we are able to resolve interaction forces smaller than 1 pN on dielectric particles as small as 100 nm in diameter.

  20. Parallel force assay for protein-protein interactions.

    Science.gov (United States)

    Aschenbrenner, Daniela; Pippig, Diana A; Klamecka, Kamila; Limmer, Katja; Leonhardt, Heinrich; Gaub, Hermann E

    2014-01-01

    Quantitative proteome research is greatly promoted by high-resolution parallel format assays. A characterization of protein complexes based on binding forces offers an unparalleled dynamic range and allows for the effective discrimination of non-specific interactions. Here we present a DNA-based Molecular Force Assay to quantify protein-protein interactions, namely the bond between different variants of GFP and GFP-binding nanobodies. We present different strategies to adjust the maximum sensitivity window of the assay by influencing the binding strength of the DNA reference duplexes. The binding of the nanobody Enhancer to the different GFP constructs is compared at high sensitivity of the assay. Whereas the binding strength to wild type and enhanced GFP are equal within experimental error, stronger binding to superfolder GFP is observed. This difference in binding strength is attributed to alterations in the amino acids that form contacts according to the crystal structure of the initial wild type GFP-Enhancer complex. Moreover, we outline the potential for large-scale parallelization of the assay.

  1. [Interaction of mental health and forced married migrants in Germany].

    Science.gov (United States)

    Kizilhan, Jan

    2015-11-01

    The study examines the interaction of the forced married migrants and the frequency of the psychological illness. Forced-married and not forced-married migrants are compared concerning her psychological illness in psychosomatic clinics in Germany. Forced-married women reported significantly more about psychological illness and have undertaken on average at least four times a suicide attempt. Forced-married women suffer lifelong from this event and need, with taking into account cultural migration-specific aspects, special support in the psychosocial consultation and medical-therapeutic treatment. © Georg Thieme Verlag KG Stuttgart · New York.

  2. Nucleon-deuteron breakup quantities calculated with separable interactions including tensor forces and P-wave interactions

    International Nuclear Information System (INIS)

    Bruinsma, J.; Wageningen, R. van

    1977-01-01

    Nucleon-deuteron breakup calculations at a nucleon bombarding energy of 22.7 MeV have been performed with separable interactions including a tensor force and P-wave interactions. Differential cross sections and a selection of polarization quantities have been computed for special regions of the phase space. The influence of a tensor force and P-wave interactions on the differential cross section is of the order of 20%. Large discrepancies between theory and experiment occur for the vector analyzing powers, both for the kinematically complete and for the incomplete situation. The calculations show that there are kinematical situations in which the differential cross sections and the tensor analyzing powers are sufficiently large to make measurements feasible. (Auth.)

  3. A force-based, parallel assay for the quantification of protein-DNA interactions.

    Science.gov (United States)

    Limmer, Katja; Pippig, Diana A; Aschenbrenner, Daniela; Gaub, Hermann E

    2014-01-01

    Analysis of transcription factor binding to DNA sequences is of utmost importance to understand the intricate regulatory mechanisms that underlie gene expression. Several techniques exist that quantify DNA-protein affinity, but they are either very time-consuming or suffer from possible misinterpretation due to complicated algorithms or approximations like many high-throughput techniques. We present a more direct method to quantify DNA-protein interaction in a force-based assay. In contrast to single-molecule force spectroscopy, our technique, the Molecular Force Assay (MFA), parallelizes force measurements so that it can test one or multiple proteins against several DNA sequences in a single experiment. The interaction strength is quantified by comparison to the well-defined rupture stability of different DNA duplexes. As a proof-of-principle, we measured the interaction of the zinc finger construct Zif268/NRE against six different DNA constructs. We could show the specificity of our approach and quantify the strength of the protein-DNA interaction.

  4. A force-based, parallel assay for the quantification of protein-DNA interactions.

    Directory of Open Access Journals (Sweden)

    Katja Limmer

    Full Text Available Analysis of transcription factor binding to DNA sequences is of utmost importance to understand the intricate regulatory mechanisms that underlie gene expression. Several techniques exist that quantify DNA-protein affinity, but they are either very time-consuming or suffer from possible misinterpretation due to complicated algorithms or approximations like many high-throughput techniques. We present a more direct method to quantify DNA-protein interaction in a force-based assay. In contrast to single-molecule force spectroscopy, our technique, the Molecular Force Assay (MFA, parallelizes force measurements so that it can test one or multiple proteins against several DNA sequences in a single experiment. The interaction strength is quantified by comparison to the well-defined rupture stability of different DNA duplexes. As a proof-of-principle, we measured the interaction of the zinc finger construct Zif268/NRE against six different DNA constructs. We could show the specificity of our approach and quantify the strength of the protein-DNA interaction.

  5. Modeling and Simulation for Exploring Human-Robot Team Interaction Requirements

    Energy Technology Data Exchange (ETDEWEB)

    Dudenhoeffer, Donald Dean; Bruemmer, David Jonathon; Davis, Midge Lee

    2001-12-01

    Small-sized and micro-robots will soon be available for deployment in large-scale forces. Consequently, the ability of a human operator to coordinate and interact with largescale robotic forces is of great interest. This paper describes the ways in which modeling and simulation have been used to explore new possibilities for human-robot interaction. The paper also discusses how these explorations have fed implementation of a unified set of command and control concepts for robotic force deployment. Modeling and simulation can play a major role in fielding robot teams in actual missions. While live testing is preferred, limitations in terms of technology, cost, and time often prohibit extensive experimentation with physical multi-robot systems. Simulation provides insight, focuses efforts, eliminates large areas of the possible solution space, and increases the quality of actual testing.

  6. A model-independent description of few-body system with strong interaction

    International Nuclear Information System (INIS)

    Simenog, I.V.

    1985-01-01

    In this contribution, the authors discuss the formulation of equations that provide model-independent description of systems of three and more nucleons irrespective of the details of the interaction, substantiate the approach, estimate the correction terms with respect to the force range, and give basic qualitative results obtained by means of the model-independent procedure. They consider three nucleons in the doublet state (spin S=I/2) taking into account only S-interaction. The elastic nd-scattering amplitude may be found from the model-independent equations that follow from the Faddeev equations in the short-range-force limit. They note that the solutions of several model-independent equations and basic results obtained with the use of this approach may serve both as a standard solution and starting point in the discussion of various conceptions concerning the details of nuclear interactions

  7. Using optical tweezers for measuring the interaction forces between human bone cells and implant surfaces: System design and force calibration

    International Nuclear Information System (INIS)

    Andersson, Martin; Madgavkar, Ashwin; Stjerndahl, Maria; Wu, Yanrong; Tan, Weihong; Duran, Randy; Niehren, Stefan; Mustafa, Kamal; Arvidson, Kristina; Wennerberg, Ann

    2007-01-01

    Optical tweezers were used to study the interaction and attachment of human bone cells to various types of medical implant materials. Ideally, the implant should facilitate cell attachment and promote migration of the progenitor cells in order to decrease the healing time. It is therefore of interest, in a controlled manner, to be able to monitor the cell adhesion process. Results from such studies would help foresee the clinical outcome of integrating medical implants. The interactions between two primary cell culture models, human gingival fibroblasts and bone forming human osteoblast cells, and three different implant materials, glass, titanium, and hydroxyapatite, were studied. A novel type of optical tweezers, which has a newly designed quadrant detector and a powerful 3 W laser was constructed and force calibrated using two different methods: one method in which the stiffness of the optical trap was obtained by monitoring the phase lag between the trap and the moved object when imposing a forced oscillation on the trapped object and another method in which the maximum trapping force was derived from the critical velocity at which the object escapes the trap. Polystyrene beads as well as cells were utilized for the calibrations. This is the first time that cells have been used directly for these types of force calibrations and, hence, direct measurements of forces exerted on cells can be performed, thus avoiding the difficulties often encountered when translating the results obtained from cell measurements to the calibrations obtained with reference materials. This more straightforward approach represents an advantage in comparison to established methods

  8. Probing the interactions between lignin and inorganic oxides using atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jingyu; Qian, Yong, E-mail: qianyong86@163.com; Deng, Yonghong; Liu, Di; Li, Hao; Qiu, Xueqing, E-mail: xueqingqiu66@163.com

    2016-12-30

    Graphical abstract: The interactions between lignin and inorganic oxides are quantitatively probed by atomic force microscopy, which is fundamental but beneficial for understanding and optimizing the absorption-dispersion and catalytic degradation processes of lignin. - Highlights: • The interactions between lignin and inorganic oxides are measured using AFM. • The adhesion forces between lignin and metal oxides are larger than that in nonmetal systems. • Hydrogen bond plays an important role in lignin-inorganic oxides system. - Abstract: Understanding the interactions between lignin and inorganic oxides has both fundamental and practical importance in industrial and energy fields. In this work, the specific interactions between alkali lignin (AL) and three inorganic oxide substrates in aqueous environment are quantitatively measured using atomic force microscopy (AFM). The results show that the average adhesion force between AL and metal oxide such as Al{sub 2}O{sub 3} or MgO is nearly two times bigger than that between AL and nonmetal oxide such as SiO{sub 2} due to the electrostatic difference and cation-π interaction. When 83% hydroxyl groups of AL is blocked by acetylation, the adhesion forces between AL and Al{sub 2}O{sub 3}, MgO and SiO{sub 2} decrease 43, 35 and 75% respectively, which indicate hydrogen bonds play an important role between AL and inorganic oxides, especially in AL-silica system.

  9. Investigation of a mutual interaction force at different pressure amplitudes in sulfuric acid

    International Nuclear Information System (INIS)

    Rezaee, Nastaran; Sadighi-Bonabi, Rasoul; Mirheydari, Mona; Ebrahimi, Homa

    2011-01-01

    This paper investigates the secondary Bjerknes force for two oscillating bubbles in various pressure amplitudes in a concentration of 95% sulfuric acid. The equilibrium radii of the bubbles are assumed to be smaller than 10 μm at a frequency of 37 kHz in various strong driving acoustical fields around 2.0 bars (1 bar=10 5 Pa). The secondary Bjerknes force is investigated in uncoupled and coupled states between the bubbles, with regard to the quasi-adiabatic model for the bubble interior. It finds that the value of the secondary Bjerknes force depends on the driven pressure of sulfuric acid and its amount would be increased by liquid pressure amplitude enhancement. The results show that the repulsion area of the interaction force would be increased by increasing the driven pressure because of nonlinear oscillation of bubbles. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  10. Quantitative analysis of tip-sample interaction in non-contact scanning force spectroscopy

    International Nuclear Information System (INIS)

    Palacios-Lidon, Elisa; Colchero, Jaime

    2006-01-01

    Quantitative characterization of tip-sample interaction in scanning force microscopy is fundamental for optimum image acquisition as well as data interpretation. In this work we discuss how to characterize the electrostatic and van der Waals contribution to tip-sample interaction in non-contact scanning force microscopy precisely. The spectroscopic technique presented is based on the simultaneous measurement of cantilever deflection, oscillation amplitude and frequency shift as a function of tip-sample voltage and tip-sample distance as well as on advanced data processing. Data are acquired at a fixed lateral position as interaction images, with the bias voltage as fast scan, and tip-sample distance as slow scan. Due to the quadratic dependence of the electrostatic interaction with tip-sample voltage the van der Waals force can be separated from the electrostatic force. Using appropriate data processing, the van der Waals interaction, the capacitance and the contact potential can be determined as a function of tip-sample distance. The measurement of resonance frequency shift yields very high signal to noise ratio and the absolute calibration of the measured quantities, while the acquisition of cantilever deflection allows the determination of the tip-sample distance

  11. Direct measurements of intermolecular forces by chemical force microscopy

    Science.gov (United States)

    Vezenov, Dmitri Vitalievich

    1999-12-01

    Detailed description of intermolecular forces is key to understanding a wide range of phenomena from molecular recognition to materials failure. The unique features of atomic force microscopy (AFM) to make point contact force measurements with ultra high sensitivity and to generate spatial maps of surface topography and forces have been extended to include measurements between well-defined organic molecular groups. Chemical modification of AFM probes with self-assembled monolayers (SAMs) was used to make them sensitive to specific molecular interactions. This novel chemical force microscopy (CFM) technique was used to probe forces between different molecular groups in a range of environments (vacuum, organic liquids and aqueous solutions); measure surface energetics on a nanometer scale; determine pK values of the surface acid and base groups; measure forces to stretch and unbind a short synthetic DNA duplex and map the spatial distribution of specific functional groups and their ionization state. Studies of adhesion forces demonstrated the important contribution of hydrogen bonding to interactions between simple organic functionalities. The chemical identity of the tip and substrate surfaces as well as the medium had a dramatic effect on adhesion between model monolayers. A direct correlation between surface free energy and adhesion forces was established. The adhesion between epoxy polymer and model mixed SAMs varied with the amount of hydrogen bonding component in the monolayers. A consistent interpretation of CFM measurements in polar solvents was provided by contact mechanics models and intermolecular force components theory. Forces between tips and surfaces functionalized with SAMs terminating in acid or base groups depended on their ionization state. A novel method of force titration was introduced for highly local characterization of the pK's of surface functional groups. The pH-dependent changes in friction forces were exploited to map spatially the

  12. Resonant Optical Gradient Force Interaction for Nano-Imaging and-Spectroscopy

    Science.gov (United States)

    2016-07-19

    New J. Phys. 18 (2016) 053042 doi:10.1088/1367-2630/18/5/053042 PAPER Resonant optical gradient force interaction for nano-imaging and -spectroscopy...HonghuaUYang andMarkus BRaschke Department of Physics , Department of Chemistry, and JILA,University of Colorado, Boulder, CO80309,USA E-mail...honghua.yang@colorado.edu andmarkus.raschke@colorado.edu Keywords:nano spectroscopy, optical force, near-field optics Abstract The optical gradient force

  13. A numerical modeling study of the interaction between the tides and the circulation forced by high-latitude plasma convection

    International Nuclear Information System (INIS)

    Mikkelsen, I.S.; Larsen, M.F.

    1991-01-01

    A spectral, time-varying thermospheric general circulation model has been used to study the nonlinear interaction at high latitudes between the tides propagating into the thermosphere from below and the circulation induced by magnetospheric forcing and in situ solar heating. The model is discrete in the vertical with 27 layers spaced by half a scale height. In the horizontal, the fields are expanded in a series of spherical harmonics using a triangular truncation at wave number 31, equivalent to a homogeneous global resolution with a minimum wavelength of 1,270 km. A hypothetical uniform grid point model would require a horizontal spacing of 417 km to describe the same minimum wavelength. In the high-latitude F region the tides affect the dusk vortex of the neutral flow very little, but the dawn vortex is either suppressed or amplified dependent upon the universal time and tidal phase. In the E region neutral flow, both the dusk and dawn vortices are shifted in local time by the tides, again as a function of universal time and tidal phase. At dusk a nonlinear amplification of the sunward winds occurs for certain combination of parameters, and at dawn the winds may be completely suppressed. Below 120 km altitude the magnetospheric forcing creates a single cyclonic vortex which is also sensitive to the high-latitude tidal structure

  14. Interaction forces between nanoparticles in Lennard-Jones (L-J) solvents

    International Nuclear Information System (INIS)

    Sinha, Indrajit; Mukherjee, Ashim K

    2014-01-01

    Molecular simulations, such as Monte Carlo (MC) and molecular dynamics (MD) have been recently used for understanding the forces between colloidal nanoparticles that determine the dispersion and stability of nanoparticle suspensions. Herein we review the current status of research in the area of nanoparticles immersed in L-J solvents. The first study by Shinto et al. used large smooth spheres to depict nanoparticles in L-J and soft sphere solvents. The nanoparticles were held fixed at a particular interparticle distance and only the solvents were allowed to equilibrate. Both Van-der-waals and solvation forces were computed at different but fixed interparticle separation. Later Qin and Fitchthorn improved on this model by considering the nanoparticles as collection of molecules, thus taking into the account the effect of surface roughness of nanoparticles. Although the inter particle distance was fixed, the rotation of such nanoparticles with respect to each other was also investigated. Recently, in keeping with the experimental situation, we modified this model by allowing the nanoparticles to move and rotate freely. Solvophilic, neutral and solvophobic interactions between the solvent atoms and those that make up the nanoparticles were modelled. While neutral and solvophobic nanoparticles coalesce even at intermediate distances, solvophilic nanoparticles are more stable in solution due to the formation of a solvent shield

  15. Strength of tensor force and s-d-shell effective interactions

    International Nuclear Information System (INIS)

    Jiang, M.; Machleidt, R.; Stout, D.B.; Kuo, T.T.S.

    1989-01-01

    The s-d-shell effective interaction is derived from the Bonn NN potential, using a G-matrix folded-diagram method. It is found that due to the relatively weak-tensor-force characteristic for the Bonn potential, the effective interaction matrix elements, particularly those with isospin T=0, come out generally more attractive than in previous derivations which were based on conventional local strong-tensor-force NN potentials. This renders the results obtained with the Bonn potential in considerably better agreement with the recent s-d-shell matrix elements of Wildenthal

  16. The Röntgen interaction and forces on dipoles in time-modulated optical fields

    Science.gov (United States)

    Sonnleitner, Matthias; Barnett, Stephen M.

    2017-12-01

    The Röntgen term is an often neglected contribution to the interaction between an atom and an electromagnetic field in the electric dipole approximation. In this work we discuss how this interaction term leads to a difference between the kinetic and canonical momentum of an atom which, in turn, leads to surprising radiation forces acting on the atom. We use a number of examples to explore the main features of this interaction, namely forces acting against the expected dipole force or accelerations perpendicular to the beam propagation axis.

  17. Dynamics modeling for parallel haptic interfaces with force sensing and control.

    Science.gov (United States)

    Bernstein, Nicholas; Lawrence, Dale; Pao, Lucy

    2013-01-01

    Closed-loop force control can be used on haptic interfaces (HIs) to mitigate the effects of mechanism dynamics. A single multidimensional force-torque sensor is often employed to measure the interaction force between the haptic device and the user's hand. The parallel haptic interface at the University of Colorado (CU) instead employs smaller 1D force sensors oriented along each of the five actuating rods to build up a 5D force vector. This paper shows that a particular manipulandum/hand partition in the system dynamics is induced by the placement and type of force sensing, and discusses the implications on force and impedance control for parallel haptic interfaces. The details of a "squaring down" process are also discussed, showing how to obtain reduced degree-of-freedom models from the general six degree-of-freedom dynamics formulation.

  18. Stochastic motion from a forced plasma-maser interaction

    International Nuclear Information System (INIS)

    Honjo, Haruo; Nambu, Mitsuhiro

    1986-01-01

    A model of forced plasma-maser effects is examined numerically. The model represents a conservative system and reduces to the forced type of the original Lotka-Volterra equation. A stochastic motion is found to occur when the density of a cold ion beam becomes larger. (author)

  19. Onset patterns in a simple model of localized parametric forcing.

    Science.gov (United States)

    Porter, J; Tinao, I; Laverón-Simavilla, A; Rodríguez, J

    2013-10-01

    We investigate pattern selection at onset in a parametrically and inhomogeneously forced partial differential equation obtained by generalizing Mathieu's equation to include spatial interactions. No separation of scales is assumed. The proposed model is directly relevant to the case of parametrically forced surface waves, such as cross-waves, excited by the horizontal vibration of a fluid, where the forcing is localized to a finite region near the endwall or wavemaker. The availability of analytical solutions in the limit of piecewise constant forcing allows us investigate in detail the dependence of selected eigenfunctions on spatial detuning, forcing width, damping, boundary conditions, and container size. A wide range of onset patterns are located and described, many of which are rotated, modulated, or both, and deviate far from simple crosswise oriented standing waves. The linear selection mechanisms governing this multiplicity of potential onset patterns are discussed.

  20. What is the impact of natural variability and aerosol-cloud interaction on the effective radiative forcing of anthropogenic aerosol?

    Science.gov (United States)

    Fiedler, S.; Stevens, B.; Mauritsen, T.

    2017-12-01

    State-of-the-art climate models have persistently shown a spread in estimates of the effective radiative forcing (ERF) associated with anthropogenic aerosol. Different reasons for the spread are known, but their relative importance is poorly understood. In this presentation we investigate the role of natural atmospheric variability, global patterns of aerosol radiative effects, and magnitudes of aerosol-cloud interaction in controlling the ERF of anthropogenic aerosol (Fiedler et al., 2017). We use the Earth system model MPI-ESM1.2 for conducting ensembles of atmosphere-only simulations and calculate the shortwave ERF of anthropogenic aerosol at the top of the atmosphere. The radiative effects are induced with the new parameterisation MACv2-SP (Stevens et al., 2017) that prescribes observationally constrained anthropogenic aerosol optical properties and an associated Twomey effect. Firstly, we compare the ERF of global patterns of anthropogenic aerosol from the mid-1970s and today. Our results suggest that such a substantial pattern difference has a negligible impact on the global mean ERF, when the natural variability of the atmosphere is considered. The clouds herein efficiently mask the clear-sky contributions to the forcing and reduce the detectability of significant anthropogenic aerosol radiative effects in all-sky conditions. Secondly, we strengthen the forcing magnitude through increasing the effect of aerosol-cloud interaction by prescribing an enhanced Twomey effect. In that case, the different spatial pattern of aerosol radiative effects from the mid-1970s and today causes a moderate change (15%) in the ERF of anthropogenic aerosol in our model. This finding lets us speculate that models with strong aerosol-cloud interactions would show a stronger ERF change with anthropogenic aerosol patterns. Testing whether the anthropogenic aerosol radiative forcing is model-dependent under prescribed aerosol conditions is currently ongoing work using MACv2-SP in

  1. Classical description of dynamical many-body systems with central forces, spin-orbit forces and spin-spin forces

    International Nuclear Information System (INIS)

    Goepfert, A.

    1994-01-01

    This thesis develops a new model, and related numerical methods, to describe classical time-dependent many-body systems interacting through central forces, spin-orbit forces and spin-spin forces. The model is based on two-particle interactions. The two-body forces consist of attractive and repulsive parts. In this model the investigated multi-particle systems are self-bound. Also the total potential of the whole ensemble is derived from the two-particle potential and is not imposed 'from outside'. Each particle has the three degrees of freedom of its centre-of-mass motion and the spin degree of freedom. The model allows for the particles to be either charged or uncharged. Furthermore, each particle has an angular momentum, an intrinsic spin, and a magnetic dipole moment. Through the electromagnetic forces between these charges and moments there arise dynamical couplings between them. The internal interactions between the charges and moments are well described by electromagnetic coupling mechanisms. In fact, compared to conventional classical molecular dynamics calculations in van der Waals clusters, which have no spin degrees of freedom, or for Heisenberg spin Systems, which have no orbital degrees of freedom, the model presented here contains both types of degrees of freedom with a highly non-trivial coupling. The model allows to study the fundamental effects resulting from the dynamical coupling of the spin and the orbital-motion sub-systems. In particular, the dynamics of the particle mass points show a behaviour basically different from the one of particles in a potential with only central forces. Furthermore, a special type of quenching procedure was invented, which tends to drive the multi-particle Systems into states with highly periodic, non-ergodic behaviour. Application of the model to cluster simulations has provided evidence that the model can also be used to investigate items like solid-to-liquid phase transitions (melting), isomerism and specific heat

  2. Parallel force assay for protein-protein interactions.

    Directory of Open Access Journals (Sweden)

    Daniela Aschenbrenner

    Full Text Available Quantitative proteome research is greatly promoted by high-resolution parallel format assays. A characterization of protein complexes based on binding forces offers an unparalleled dynamic range and allows for the effective discrimination of non-specific interactions. Here we present a DNA-based Molecular Force Assay to quantify protein-protein interactions, namely the bond between different variants of GFP and GFP-binding nanobodies. We present different strategies to adjust the maximum sensitivity window of the assay by influencing the binding strength of the DNA reference duplexes. The binding of the nanobody Enhancer to the different GFP constructs is compared at high sensitivity of the assay. Whereas the binding strength to wild type and enhanced GFP are equal within experimental error, stronger binding to superfolder GFP is observed. This difference in binding strength is attributed to alterations in the amino acids that form contacts according to the crystal structure of the initial wild type GFP-Enhancer complex. Moreover, we outline the potential for large-scale parallelization of the assay.

  3. Data Driven, Force Based Interaction for Quadrotors

    Science.gov (United States)

    McKinnon, Christopher D.

    Quadrotors are small and agile, and are becoming more capable for their compact size. They are expected perform a wide variety of tasks including inspection, physical interaction, and formation flight. In all of these tasks, the quadrotors can come into close proximity with infrastructure or other quadrotors, and may experience significant external forces and torques. Reacting properly in each case is essential to completing the task safely and effectively. In this thesis, we develop an algorithm, based on the Unscented Kalman Filter, to estimate such forces and torques without making assumptions about the source of the forces and torques. We then show in experiment how the proposed estimation algorithm can be used in conjunction with controls and machine learning to choose the appropriate actions in a wide variety of tasks including detecting downwash, tracking the wind induced by a fan, and detecting proximity to the wall.

  4. Activity-induced clustering in model dumbbell swimmers: the role of hydrodynamic interactions.

    Science.gov (United States)

    Furukawa, Akira; Marenduzzo, Davide; Cates, Michael E

    2014-08-01

    Using a fluid-particle dynamics approach, we numerically study the effects of hydrodynamic interactions on the collective dynamics of active suspensions within a simple model for bacterial motility: each microorganism is modeled as a stroke-averaged dumbbell swimmer with prescribed dipolar force pairs. Using both simulations and qualitative arguments, we show that, when the separation between swimmers is comparable to their size, the swimmers' motions are strongly affected by activity-induced hydrodynamic forces. To further understand these effects, we investigate semidilute suspensions of swimmers in the presence of thermal fluctuations. A direct comparison between simulations with and without hydrodynamic interactions shows these to enhance the dynamic clustering at a relatively small volume fraction; with our chosen model the key ingredient for this clustering behavior is hydrodynamic trapping of one swimmer by another, induced by the active forces. Furthermore, the density dependence of the motility (of both the translational and rotational motions) exhibits distinctly different behaviors with and without hydrodynamic interactions; we argue that this is linked to the clustering tendency. Our study illustrates the fact that hydrodynamic interactions not only affect kinetic pathways in active suspensions, but also cause major changes in their steady state properties.

  5. Gauge unification of basic forces, particularly of gravitation with strong interactions

    International Nuclear Information System (INIS)

    Salam, A.

    1977-01-01

    An attempt is made to present a case for the use of both the Einstein--Weyl spin-two and the Yang--Mills spin-one gauge structures for describing strong interactions. By emphasizing both spin-one and -two aspects of this force, it is hoped that a unification of this force, on the one hand, with gravity theory and, on the other, with the electromagnetic and weak interactions can be achieved. A Puppi type of tetrahedral interralation of fundamental forces, with the strong force playing a pivotal role due to its mediation through both spin-one and -two quanta, is proposed. It is claimed that the gauge invariance of gravity theory permits the use of ambuguity-free nonpolynomial techniques and thereby the securing of relistic regularization in gravity-modified field theories with the Newtonian constant G/sub N/ providing a relistic cutoff. 37 references

  6. Nuclear forces

    International Nuclear Information System (INIS)

    Holinde, K.

    1990-01-01

    In this paper the present status of the meson theory of nuclear forces is reviewed. After some introductory remarks about the relevance of the meson exchange concept in the era of QCD and the empirical features of the NN interaction, the exciting history of nuclear forces is briefly outlined. In the main part, the author gives the basic physical ideas and sketch the derivation of the one-boson-exchange model of the nuclear force, in the Feynman approach. Secondly we describe, in a qualitative way, various necessary extensions, leading to the Bonn model of the N interaction. Finally, points to some interesting pen questions connected with the extended quark structure of the hadrons, which are topics of current research activity

  7. Modelling of fluid-solid interaction using two stand-alone codes

    CSIR Research Space (South Africa)

    Grobler, Jan H

    2010-01-01

    Full Text Available A method is proposed for the modelling of fluid-solid interaction in applications where fluid forces dominate. Data are transferred between two stand-alone codes: a dedicated computational fluid dynamics (CFD) code capable of free surface modelling...

  8. Unraveling protein-protein interactions in clathrin assemblies via atomic force spectroscopy.

    Science.gov (United States)

    Jin, Albert J; Lafer, Eileen M; Peng, Jennifer Q; Smith, Paul D; Nossal, Ralph

    2013-03-01

    Atomic force microscopy (AFM), single molecule force spectroscopy (SMFS), and single particle force spectroscopy (SPFS) are used to characterize intermolecular interactions and domain structures of clathrin triskelia and clathrin-coated vesicles (CCVs). The latter are involved in receptor-mediated endocytosis (RME) and other trafficking pathways. Here, we subject individual triskelia, bovine-brain CCVs, and reconstituted clathrin-AP180 coats to AFM-SMFS and AFM-SPFS pulling experiments and apply novel analytics to extract force-extension relations from very large data sets. The spectroscopic fingerprints of these samples differ markedly, providing important new information about the mechanism of CCV uncoating. For individual triskelia, SMFS reveals a series of events associated with heavy chain alpha-helix hairpin unfolding, as well as cooperative unraveling of several hairpin domains. SPFS of clathrin assemblies exposes weaker clathrin-clathrin interactions that are indicative of inter-leg association essential for RME and intracellular trafficking. Clathrin-AP180 coats are energetically easier to unravel than the coats of CCVs, with a non-trivial dependence on force-loading rate. Published by Elsevier Inc.

  9. Folding model analysis of Λ binding energies and three-body ΛNN force

    International Nuclear Information System (INIS)

    Mian, M.; Rahman Khan, M.Z.

    1988-02-01

    Working within the framework of the folding model, we analyze the Λ binding energy data of light hypernuclei with effective two-body ΛN plus three-body ΛNN interaction. The two-body density for the core nucleus required for evaluating the three-body force contribution is obtained in terms of the centre of mass pair correlation. It is found that except for Λ 5 He the data are fairly well explained. The three-body force seems to account for the density dependence of the effective two-body ΛN interaction proposed earlier. (author). 13 refs, 2 tabs

  10. Comparison of several algorithms of the electric force calculation in particle plasma models

    International Nuclear Information System (INIS)

    Lachnitt, J; Hrach, R

    2014-01-01

    This work is devoted to plasma modelling using the technique of molecular dynamics. The crucial problem of most such models is the efficient calculation of electric force. This is usually solved by using the particle-in-cell (PIC) algorithm. However, PIC is an approximative algorithm as it underestimates the short-range interactions of charged particles. We propose a hybrid algorithm which adds these interactions to PIC. Then we include this algorithm in a set of algorithms which we test against each other in a two-dimensional collisionless magnetized plasma model. Besides our hybrid algorithm, this set includes two variants of pure PIC and the direct application of Coulomb's law. We compare particle forces, particle trajectories, total energy conservation and the speed of the algorithms. We find out that the hybrid algorithm can be a good replacement of direct Coulomb's law application (quite accurate and much faster). It is however probably unnecessary to use it in practical 2D models.

  11. Exploiting impedance shaping approaches to overcome force overshoots in delicate interaction tasks

    Directory of Open Access Journals (Sweden)

    Loris Roveda

    2016-09-01

    Full Text Available The aim of the presented article is to overcome the force overshoot issue in impedance based force tracking applications. Nowadays, light-weight manipulators are involved in high-accurate force control applications (such as polishing tasks, where the force overshoot issue is critical (i.e. damaging the component causing a production waste, exploiting the impedance control. Two main force tracking impedance control approaches are described in literature: (a set-point deformation and (b variable stiffness approaches. However, no contributions are directly related to the force overshoot issue. The presented article extends both such methodologies to analytically achieve the force overshoots avoidance in interaction tasks based on the on-line estimation of the interacting environment stiffness (available through an EKF. Both the proposed control algorithms allow to achieve a linear closed-loop dynamics for the coupled robot-environment system. Therefore, control gains can be analytically on-line calculated to achieve an over-damped closed-loop dynamics of the controlled coupled system. Control strategies have been validated in experiments, involving a KUKA LWR 4+. A probing task has been performed, representative of many industrial tasks (e.g. assembly tasks, in which a main force task direction is defined.

  12. An Optimization-Based Impedance Approach for Robot Force Regulation with Prescribed Force Limits

    Directory of Open Access Journals (Sweden)

    R. de J. Portillo-Vélez

    2015-01-01

    Full Text Available An optimization based approach for the regulation of excessive or insufficient forces at the end-effector level is introduced. The objective is to minimize the interaction force error at the robot end effector, while constraining undesired interaction forces. To that end, a dynamic optimization problem (DOP is formulated considering a dynamic robot impedance model. Penalty functions are considered in the DOP to handle the constraints on the interaction force. The optimization problem is online solved through the gradient flow approach. Convergence properties are presented and the stability is drawn when the force limits are considered in the analysis. The effectiveness of our proposal is validated via experimental results for a robotic grasping task.

  13. Density-dependent effective baryon–baryon interaction from chiral three-baryon forces

    Energy Technology Data Exchange (ETDEWEB)

    Petschauer, Stefan, E-mail: stefan.petschauer@ph.tum.de [Physik Department, Technische Universität München, D-85747 Garching (Germany); Haidenbauer, Johann [Institute for Advanced Simulation, Institut für Kernphysik and Jülich Center for Hadron Physics, Forschungszentrum Jülich, D-52425 Jülich (Germany); Kaiser, Norbert [Physik Department, Technische Universität München, D-85747 Garching (Germany); Meißner, Ulf-G. [Institute for Advanced Simulation, Institut für Kernphysik and Jülich Center for Hadron Physics, Forschungszentrum Jülich, D-52425 Jülich (Germany); Helmholtz-Institut für Strahlen- und Kernphysik, Universität Bonn, D-53115 Bonn (Germany); Bethe Center for Theoretical Physics, Universität Bonn, D-53115 Bonn (Germany); Weise, Wolfram [Physik Department, Technische Universität München, D-85747 Garching (Germany)

    2017-01-15

    A density-dependent effective potential for the baryon–baryon interaction in the presence of the (hyper)nuclear medium is constructed, based on the leading (irreducible) three-baryon forces derived within SU(3) chiral effective field theory. We evaluate the contributions from three classes: contact terms, one-pion exchange and two-pion exchange. In the strangeness-zero sector we recover the known result for the in-medium nucleon–nucleon interaction. Explicit expressions for the ΛN in-medium potential in (asymmetric) nuclear matter are presented. Our results are suitable for implementation into calculations of (hyper)nuclear matter. In order to estimate the low-energy constants of the leading three-baryon forces we introduce the decuplet baryons as explicit degrees of freedom and construct the relevant terms in the minimal non-relativistic Lagrangian. With these, the constants are estimated through decuplet saturation. Utilizing this approximation we provide numerical results for the effect of the three-body force in symmetric nuclear matter and pure neutron matter on the ΛN interaction. A moderate repulsion that increases with density is found in comparison to the free ΛN interaction.

  14. The Monash University Interactive Simple Climate Model

    Science.gov (United States)

    Dommenget, D.

    2013-12-01

    The Monash university interactive simple climate model is a web-based interface that allows students and the general public to explore the physical simulation of the climate system with a real global climate model. It is based on the Globally Resolved Energy Balance (GREB) model, which is a climate model published by Dommenget and Floeter [2011] in the international peer review science journal Climate Dynamics. The model simulates most of the main physical processes in the climate system in a very simplistic way and therefore allows very fast and simple climate model simulations on a normal PC computer. Despite its simplicity the model simulates the climate response to external forcings, such as doubling of the CO2 concentrations very realistically (similar to state of the art climate models). The Monash simple climate model web-interface allows you to study the results of more than a 2000 different model experiments in an interactive way and it allows you to study a number of tutorials on the interactions of physical processes in the climate system and solve some puzzles. By switching OFF/ON physical processes you can deconstruct the climate and learn how all the different processes interact to generate the observed climate and how the processes interact to generate the IPCC predicted climate change for anthropogenic CO2 increase. The presentation will illustrate how this web-base tool works and what are the possibilities in teaching students with this tool are.

  15. Interface bonding in silicon oxide nanocontacts: interaction potentials and force measurements

    Science.gov (United States)

    Wierez-Kien, M.; Craciun, A. D.; Pinon, A. V.; Le Roux, S.; Gallani, J. L.; Rastei, M. V.

    2018-04-01

    The interface bonding between two silicon-oxide nanoscale surfaces has been studied as a function of atomic nature and size of contacting asperities. The binding forces obtained using various interaction potentials are compared with experimental force curves measured in vacuum with an atomic force microscope. In the limit of small nanocontacts (typically contact area which is altered by stretching speeds. The mean unbinding force is found to decrease as the contact spends time in the attractive regime. This contact weakening is featured by a negative aging coefficient which broadens and shifts the thermal-induced force distribution at low stretching speeds.

  16. Modeling mechanical interactions between cancerous mammary acini

    Science.gov (United States)

    Wang, Jeffrey; Liphardt, Jan; Rycroft, Chris

    2015-03-01

    The rules and mechanical forces governing cell motility and interactions with the extracellular matrix of a tissue are often critical for understanding the mechanisms by which breast cancer is able to spread through the breast tissue and eventually metastasize. Ex vivo experimentation has demonstrated the the formation of long collagen fibers through collagen gels between the cancerous mammary acini responsible for milk production, providing a fiber scaffolding along which cancer cells can disorganize. We present a minimal mechanical model that serves as a potential explanation for the formation of these collagen fibers and the resultant motion. Our working hypothesis is that cancerous cells induce this fiber formation by pulling on the gel and taking advantage of the specific mechanical properties of collagen. To model this system, we employ a new Eulerian, fixed grid simulation method to model the collagen as a nonlinear viscoelastic material subject to various forces coupled with a multi-agent model to describe individual cancer cells. We find that these phenomena can be explained two simple ideas: cells pull collagen radially inwards and move towards the tension gradient of the collagen gel, while being exposed to standard adhesive and collision forces.

  17. Force spectroscopy studies on protein-ligand interactions: a single protein mechanics perspective.

    Science.gov (United States)

    Hu, Xiaotang; Li, Hongbin

    2014-10-01

    Protein-ligand interactions are ubiquitous and play important roles in almost every biological process. The direct elucidation of the thermodynamic, structural and functional consequences of protein-ligand interactions is thus of critical importance to decipher the mechanism underlying these biological processes. A toolbox containing a variety of powerful techniques has been developed to quantitatively study protein-ligand interactions in vitro as well as in living systems. The development of atomic force microscopy-based single molecule force spectroscopy techniques has expanded this toolbox and made it possible to directly probe the mechanical consequence of ligand binding on proteins. Many recent experiments have revealed how ligand binding affects the mechanical stability and mechanical unfolding dynamics of proteins, and provided mechanistic understanding on these effects. The enhancement effect of mechanical stability by ligand binding has been used to help tune the mechanical stability of proteins in a rational manner and develop novel functional binding assays for protein-ligand interactions. Single molecule force spectroscopy studies have started to shed new lights on the structural and functional consequence of ligand binding on proteins that bear force under their biological settings. Copyright © 2014 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.

  18. How weather impacts the forced climate response

    Energy Technology Data Exchange (ETDEWEB)

    Kirtman, Ben P. [University of Miami, Division of Meteorology and Physical Oceanography, Rosenstiel School for Atmospheric and Marine Science, Miami, FL (United States); Center for Ocean-Land-Atmosphere Studies, Calverton, MD (United States); Schneider, Edwin K.; Straus, David M. [George Mason University, Department of Atmospheric, Oceanic and Earth Sciences, Fairfax, VA (United States); Center for Ocean-Land-Atmosphere Studies, Calverton, MD (United States); Min, Dughong; Burgman, Robert [University of Miami, Division of Meteorology and Physical Oceanography, Rosenstiel School for Atmospheric and Marine Science, Miami, FL (United States)

    2011-12-15

    The new interactive ensemble modeling strategy is used to diagnose how noise due to internal atmospheric dynamics impacts the forced climate response during the twentieth century (i.e., 1870-1999). The interactive ensemble uses multiple realizations of the atmospheric component model coupled to a single realization of the land, ocean and ice component models in order to reduce the noise due to internal atmospheric dynamics in the flux exchange at the interface of the component models. A control ensemble of so-called climate of the twentieth century simulations of the Community Climate Simulation Model version 3 (CCSM3) are compared with a similar simulation with the interactive ensemble version of CCSM3. Despite substantial differences in the overall mean climate, the global mean trends in surface temperature, 500 mb geopotential and precipitation are largely indistinguishable between the control ensemble and the interactive ensemble. Large differences in the forced response; however, are detected particularly in the surface temperature of the North Atlantic. Associated with the forced North Atlantic surface temperature differences are local differences in the forced precipitation and a substantial remote rainfall response in the deep tropical Pacific. We also introduce a simple variance analysis to separately compare the variance due to noise and the forced response. We find that the noise variance is decreased when external forcing is included. In terms of the forced variance, we find that the interactive ensemble increases this variance relative to the control. (orig.)

  19. Influence of the density dependence factor in effective nucleon-nucleon forces and interaction of 4He-particles with stable nuclei

    International Nuclear Information System (INIS)

    Kuterbekov, K.A.; Zholdybayev, T.K.; Muchamedzhan, A.; Penionzhkevich, Yu.E.; Kukhtina, I.N.

    2004-01-01

    Full text: The most popular method for join analysis of experimental angular distributions (AD) and total cross sections (TCS) at low and moderate energies is semimicroscopic folding model (SFM) [1]. Since 4 He-particle is a core of exotic nuclei 6,8 He, it is topical to continue systematic investigations at various effective nucleon-nucleon forces. In [2] we investigated for the first time energy and mass dependencies of the parameters SFM at low and moderate energies. At that, as effective forces between nucleons of the colliding nuclei were used total M3Y-interaction [3] and nucleon densities calculated by the method of density functional [4]. In the present work based on SFM there were investigated influences of the density dependence factor in effective nucleon-nucleon forces (4 force options considered) on calculation of ADs and TCSs at interaction of 4 He-particles with stable nuclei (A = 12 - 208) at α-particle energies 21 - 141.5 MeV. Corresponding experimental AD and TCS data used for model verification are of high quality with low error both for angular and energy diapason. Therefore, conclusions made in the performed investigation contain important quantitative information and are valuable for consequent comparative analysis of experimental data on interaction of light exotic nuclei with stable nuclei

  20. Driving force for hydrophobic interaction at different length scales.

    Science.gov (United States)

    Zangi, Ronen

    2011-03-17

    We study by molecular dynamics simulations the driving force for the hydrophobic interaction between graphene sheets of different sizes down to the atomic scale. Similar to the prediction by Lum, Chandler, and Weeks for hard-sphere solvation [J. Phys. Chem. B 1999, 103, 4570-4577], we find the driving force to be length-scale dependent, despite the fact that our model systems do not exhibit dewetting. For small hydrophobic solutes, the association is purely entropic, while enthalpy favors dissociation. The latter is demonstrated to arise from the enhancement of hydrogen bonding between the water molecules around small hydrophobes. On the other hand, the attraction between large graphene sheets is dominated by enthalpy which mainly originates from direct solute-solute interactions. The crossover length is found to be inside the range of 0.3-1.5 nm(2) of the surface area of the hydrophobe that is eliminated in the association process. In the large-scale regime, different thermodynamic properties are scalable with this change of surface area. In particular, upon dimerization, a total and a water-induced stabilization of approximately 65 and 12 kJ/mol/nm(2) are obtained, respectively, and on average around one hydrogen bond is gained per 1 nm(2) of graphene sheet association. Furthermore, the potential of mean force between the sheets is also scalable except for interplate distances smaller than 0.64 nm which corresponds to the region around the barrier for removing the last layer of water. It turns out that, as the surface area increases, the relative height of the barrier for association decreases and the range of attraction increases. It is also shown that, around small hydrophobic solutes, the lifetime of the hydrogen bonds is longer than in the bulk, while around large hydrophobes it is the same. Nevertheless, the rearrangement of the hydrogen-bond network for both length-scale regimes is slower than in bulk water. © 2011 American Chemical Society

  1. Time domain models for damping-controlled fluidelastic instability forces in multi-span tubes with loose supports

    International Nuclear Information System (INIS)

    Hassan, M.A.; Rogers, R.J.; Gerber, A.G.

    2009-01-01

    This paper presents simulations of a loosely supported multi-span tube subjected to turbulence and fluidelastic instability forces. Several time-domain fluid force models simulating the damping controlled fluidelastic instability mechanism in tube arrays have been presented. These models include the negative damping model based on the Connors equation, fluid force coefficient-based models (Chen and Tanaka and Takahara), and two semi-analytical models (Price and Paidoussis; and Lever and Weaver) were implemented in an in-house finite code. Time domain modeling challenges for each of these theories were discussed. The implemented models were validated against available experimental data. The linear simulations showed that the Connors-equation based model exhibits the most conservative prediction of the critical flow velocity when the recommended design values for the Connors equation were used. The models were then utilized to simulate the nonlinear response of a three-span cantilever tube in a square lattice bar support subjected to air crossflow. The tube was subjected to a single-phase flow passing over one of the tube's spans. For each of these models the flow velocity and the support clearance were varied. Special attention was paid to the tube/support interaction parameters that affect wear, such as impact forces, contact ratio, and normal work rate. As the prediction of the linear threshold varies depending on the utilized model, the nonlinear response also differs. The investigated models exhibit similar response characteristics for the impact force, tip lift response, and work rate. Simulation results show that the Connors-based model underestimates the response and the tube/support interaction parameters for the loose support case. (author)

  2. Reverse engineering of an affinity-switchable molecular interaction characterized by atomic force microscopy single-molecule force spectroscopy.

    Science.gov (United States)

    Anselmetti, Dario; Bartels, Frank Wilco; Becker, Anke; Decker, Björn; Eckel, Rainer; McIntosh, Matthew; Mattay, Jochen; Plattner, Patrik; Ros, Robert; Schäfer, Christian; Sewald, Norbert

    2008-02-19

    Tunable and switchable interaction between molecules is a key for regulation and control of cellular processes. The translation of the underlying physicochemical principles to synthetic and switchable functional entities and molecules that can mimic the corresponding molecular functions is called reverse molecular engineering. We quantitatively investigated autoinducer-regulated DNA-protein interaction in bacterial gene regulation processes with single atomic force microscopy (AFM) molecule force spectroscopy in vitro, and developed an artificial bistable molecular host-guest system that can be controlled and regulated by external signals (UV light exposure and thermal energy). The intermolecular binding functionality (affinity) and its reproducible and reversible switching has been proven by AFM force spectroscopy at the single-molecule level. This affinity-tunable optomechanical switch will allow novel applications with respect to molecular manipulation, nanoscale rewritable molecular memories, and/or artificial ion channels, which will serve for the controlled transport and release of ions and neutral compounds in the future.

  3. Study of deformation of droplet in external force field by using liquid-gas model of lattice-gas

    International Nuclear Information System (INIS)

    Ebihara, Ken-ichi; Watanabe, Tadashi

    2000-10-01

    The deformation of the droplet by the external force which is assumed to be gravity is studied by using the liquid-gas model of lattice-gas. Two types of liquid-gas models, one is the minimal model and the other is the maximal model, which are distinguished from each other by the added long-range interactions are used for the simulation of the droplet deformation. The difference of the droplet deformation between the maximal model and the minimal model was observed. While the droplet of the minimal model elongates in the direction of the external force, the droplet of the maximal model elongates in the perpendicular direction to the external force. Therefore the droplet deformation in the external force field of the maximal model is more similar to the droplet deformation which is observed in experiments than that of the minimal model. (author)

  4. Modeling forces in high-temperature superconductors

    International Nuclear Information System (INIS)

    Turner, L. R.; Foster, M. W.

    1997-01-01

    We have developed a simple model that uses computed shielding currents to determine the forces acting on a high-temperature superconductor (HTS). The model has been applied to measurements of the force between HTS and permanent magnets (PM). Results show the expected hysteretic variation of force as the HTS moves first toward and then away from a permanent magnet, including the reversal of the sign of the force. Optimization of the shielding currents is carried out through a simulated annealing algorithm in a C++ program that repeatedly calls a commercial electromagnetic software code. Agreement with measured forces is encouraging

  5. PORTER S FIVE FORCES MODEL SCOTT MORTON S FIVE FORCES MODEL BAKOS TREACY MODEL ANALYZES STRATEGIC INFORMATION SYSTEMS MANAGEMENT

    Directory of Open Access Journals (Sweden)

    Indra Gamayanto

    2004-01-01

    Full Text Available Wollongong City Council (WCC is one of the most progressive and innovative local government organizations in Australia. Wollongong City Council use Information Technology to gain the competitive advantage and to face a global economy in the future. Porter's Five Force model is one of the models that can be using at Wollongong City Council because porter's five Forces model has strength in relationship between buyer and suppliers (Bargaining power of suppliers and bargaining power of buyers. Other model such as Scott Morton's Five Forces model has strength to analyze the social impact factor, so to gain competitive advantage in the future and have a good IT/IS strategic planning; this model can be use also. Bakos & Treacy model almost the same as Porter's model but Bakos & Treacy model can also be applying into Wollongong City Council to improve the capability in Transforming organization, efficiency, and effectiveness.

  6. Revisiting fifth forces in the Galileon model

    Energy Technology Data Exchange (ETDEWEB)

    Burrage, Clare [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Gruppe Theorie; Seery, David [Sussex Univ., Brighton (United Kingdom). Dept. of Physics and Astronomy

    2010-05-15

    A Galileon field is one which obeys a spacetime generalization of the non- relativistic Galilean invariance. Such a field may possess non-canonical kinetic terms, but ghost-free theories with a well-defined Cauchy problem exist, constructed using a finite number of relevant operators. The interactions of this scalar with matter are hidden by the Vainshtein effect, causing the Galileon to become weakly coupled near heavy sources. We revisit estimates of the fifth force mediated by a Galileon field, and show that the parameters of the model are less constrained by experiment than previously supposed. (orig.)

  7. Interactions between baryon octets by quark model

    Energy Technology Data Exchange (ETDEWEB)

    Nakamoto, S. [Suzuka National College of Technology, Suzuka, Mie (Japan); Fujiwara, Y. [Kyoto Univ., Faculty of Science, Kyoto (Japan); Suzuki, Y. [Niigata Univ., Faculty of Science, Niigata (Japan); Kohno, M. [Kyushu Dental College, Kita-kyushu, Fukuoka (Japan)

    2003-03-01

    Interactions between the baryon octets are studied by using the two spin flavor SU{sub 6} quark models, namely fss2 and FSS. In all channels, results that can be systematically understood along with the flavor symmetry are obtained. Effect of the channel coupling in the {sup 1}S{sub 0} state of the system of strangeness-2 shows a tendency to be weak in the system of isospin 0 while strong in the system of isospin 1. It is shown that this tendency is due to the competitive contributions of the color magnetic term and the effective meson exchange potential to the transition potential. Flavor symmetry breaking weakens both the repulsive force in the short range and the attractive force in the intermediate range. It is revealed that the overall qualitative behavior is determined as the result of the competitive effect of those interactions. (S. Funahashi)

  8. Dissolved organic carbon--contaminant interaction descriptors found by 3D force field calculations.

    Science.gov (United States)

    Govers, H A J; Krop, H B; Parsons, J R; Tambach, T; Kubicki, J D

    2002-03-01

    Enthalpies of transfer at 300 K of various partitioning processes were calculated in order to study the suitability of 3D force fields for the calculation of partitioning constants. A 3D fulvic acid (FA) model of dissolved organic carbon (DOC) was built in a MM+ force field using AMI atomic charges and geometrical optimization (GO). 3,5-Dichlorobiphenyl (PCB14), 4,4'-dichlorobiphenyl (PCB15), 1,1,1-trichloro-2,2-bis-(4-chlorophenyl)-ethane (PPDDT) and 2-chloro-4-ethylamino-6-isopropylamino-s-triazine (Atrazine) were inserted into different sites and their interaction energies with FA were calculated. Energies of hydration were calculated and subtracted from FA-contaminant interactions of selected sites. The resulting values for the enthalpies of transfer from water to DOC were 2.8, -1.4, -6.4 and 0.0 kcal/mol for PCB 14, PCB15, PPDDT and Atrazine, respectively. The value of PPDDT compared favorably with the experimental value of -5.0 kcal/mol. Prior to this, the method was studied by the calculation of the enthalpies of vaporization and aqueous solution using various force fields. In the MM + force field GO predicted enthalpies of vaporization deviated by +0.7 (PCB14), +3.6 (PCB15) and -0.7 (PPDDT)kcal/mol from experimental data, whereas enthalpies of aqueous solution deviated by -3.6 (PCB14), +5.8 (PCB15) and +3.7 (PPDDT) kcal/mol. Only for PCB14 the wrong sign of this enthalpy value was predicted. Potential advantages and limitations of the approach were discussed.

  9. Designing an experiment to measure cellular interaction forces

    Science.gov (United States)

    McAlinden, Niall; Glass, David G.; Millington, Owain R.; Wright, Amanda J.

    2013-09-01

    Optical trapping is a powerful tool in Life Science research and is becoming common place in many microscopy laboratories and facilities. The force applied by the laser beam on the trapped object can be accurately determined allowing any external forces acting on the trapped object to be deduced. We aim to design a series of experiments that use an optical trap to measure and quantify the interaction force between immune cells. In order to cause minimum perturbation to the sample we plan to directly trap T cells and remove the need to introduce exogenous beads to the sample. This poses a series of challenges and raises questions that need to be answered in order to design a set of effect end-point experiments. A typical cell is large compared to the beads normally trapped and highly non-uniform - can we reliably trap such objects and prevent them from rolling and re-orientating? In this paper we show how a spatial light modulator can produce a triple-spot trap, as opposed to a single-spot trap, giving complete control over the object's orientation and preventing it from rolling due, for example, to Brownian motion. To use an optical trap as a force transducer to measure an external force you must first have a reliably calibrated system. The optical trapping force is typically measured using either the theory of equipartition and observing the Brownian motion of the trapped object or using an escape force method, e.g. the viscous drag force method. In this paper we examine the relationship between force and displacement, as well as measuring the maximum displacement from equilibrium position before an object falls out of the trap, hence determining the conditions under which the different calibration methods should be applied.

  10. Cognitive Emotional Regulation Model in Human-Robot Interaction

    OpenAIRE

    Liu, Xin; Xie, Lun; Liu, Anqi; Li, Dan

    2015-01-01

    This paper integrated Gross cognitive process into the HMM (hidden Markov model) emotional regulation method and implemented human-robot emotional interaction with facial expressions and behaviors. Here, energy was the psychological driving force of emotional transition in the cognitive emotional model. The input facial expression was translated into external energy by expression-emotion mapping. Robot’s next emotional state was determined by the cognitive energy (the stimulus after cognition...

  11. Hualien forced vibration calculation with a finite element model

    International Nuclear Information System (INIS)

    Wang, F.; Gantenbein, F.; Nedelec, M.; Duretz, Ch.

    1995-01-01

    The forced vibration tests of the Hualien mock-up were useful to validate finite element models developed for soil-structure interaction. In this paper the two sets of tests with and without backfill were analysed. the methods used are based on finite element modeling for the soil. Two approaches were considered: calculation of soil impedance followed by the calculation of the transfer functions with a model taking into account the superstructure and the impedance; direct calculation of the soil-structure transfer functions, with the soil and the structure being represented in the same model by finite elements. Blind predictions and post-test calculations are presented and compared with the test results. (author). 4 refs., 8 figs., 2 tabs

  12. Tip-surface interactions at redox responsive poly(ferrocenylsilane) (PFS) interface by AFM-based force spectroscopy

    International Nuclear Information System (INIS)

    Chung Hongjing; Song Jing; Vancso, G. Julius

    2009-01-01

    Poly(ferrocenylsilanes) (PFS) belong to the class of redox responsive organometallic polymers. Atomic force microscopy (AFM)-based single molecule force spectroscopy (SMFS) was used earlier to study single chain PFS response and redox energy driven single chain PFS molecular motors. Here we present further AFM investigations of force interactions between tip and a grafted PFS surface under potential control in electrochemical redox cycles. Typical tip-Au interaction is considered as reference in the force measurements. First the electrostatic component in the diffused double layer (DL) in NaClO 4 electrolyte environment was considered for a 'grafted to' PFS, which dominated the interplay between the tip and sample surface. The DL forces can also hinder the physisorption of PFS chain onto the tip when the voltage was applied at -0.1 V. On the other hand, if the tip contacted the PFS surface prior to the electrochemical process, physisorption of PFS chains governed the overall interaction regardless of subsequently applied surface potential. In addition, prolonged contact time, t c , may also contribute to the stability of tip-PFS bridging and detection of electrostatic forces between the tip-PFS interface. The results showed that tip-substrate interaction forces without PFS grafts have negligibly small force contributions under similar, electrochemically controlled, conditions used in single PFS chain based molecular motors.

  13. Interactions between Rotavirus and Suwannee River Organic Matter: Aggregation, Deposition, and Adhesion Force Measurement

    KAUST Repository

    Gutierrez, Leonardo; Nguyen, Thanh H.

    2012-01-01

    M, rotavirus suspension remained stable for over 4 h. Atomic force microscopy (AFM) measurement for interaction force decay length at different ionic strengths showed that nonelectrostatic repulsive forces were mainly responsible for eliminating aggregation

  14. Analysis of dispersive interactions at polymer/TiAlN interfaces by means of dynamic force spectroscopy.

    Science.gov (United States)

    Wiesing, M; de Los Arcos, T; Gebhard, M; Devi, A; Grundmeier, G

    2017-12-20

    The structural and electronic origins of the interactions between polycarbonate and sputter deposited TiAlN were analysed using a combined electron and force spectroscopic approach. Interaction forces were measured by means of dynamic force spectroscopy and the surface polarizability was analysed by X-ray photoelectron valence band spectroscopy. It could be shown that the adhesive interactions between polycarbonate and TiAlN are governed by van der Waals forces. Different surface cleansing and oxidizing treatments were investigated and the effect of the surface chemistry on the force interactions was analysed. Intense surface oxidation resulted in a decreased adhesion force by a factor of two due to the formation of a 2 nm thick Ti 0.21 Al 0.45 O surface oxide layer. The origin of the residual adhesion forces caused by the mixed Ti 0.21 Al 0.45 O surface oxide was clarified by considering the non-retarded Hamaker coefficients as calculated by Lifshitz theory, based on optical data from Reflection Electron Energy Loss Spectroscopy. This disclosed increased dispersion forces of Ti 0.21 Al 0.45 O due to the presence of Ti(iv) ions and related Ti 3d band optical transitions.

  15. Mechanical forces regulate the interactions of fibronectin and collagen I in extracellular matrix.

    Science.gov (United States)

    Kubow, Kristopher E; Vukmirovic, Radmila; Zhe, Lin; Klotzsch, Enrico; Smith, Michael L; Gourdon, Delphine; Luna, Sheila; Vogel, Viola

    2015-08-14

    Despite the crucial role of extracellular matrix (ECM) in directing cell fate in healthy and diseased tissues--particularly in development, wound healing, tissue regeneration and cancer--the mechanisms that direct the assembly and regulate hierarchical architectures of ECM are poorly understood. Collagen I matrix assembly in vivo requires active fibronectin (Fn) fibrillogenesis by cells. Here we exploit Fn-FRET probes as mechanical strain sensors and demonstrate that collagen I fibres preferentially co-localize with more-relaxed Fn fibrils in the ECM of fibroblasts in cell culture. Fibre stretch-assay studies reveal that collagen I's Fn-binding domain is responsible for the mechano-regulated interaction. Furthermore, we show that Fn-collagen interactions are reciprocal: relaxed Fn fibrils act as multivalent templates for collagen assembly, but once assembled, collagen fibres shield Fn fibres from being stretched by cellular traction forces. Thus, in addition to the well-recognized, force-regulated, cell-matrix interactions, forces also tune the interactions between different structural ECM components.

  16. Walking Ahead: The Headed Social Force Model.

    Directory of Open Access Journals (Sweden)

    Francesco Farina

    Full Text Available Human motion models are finding an increasing number of novel applications in many different fields, such as building design, computer graphics and robot motion planning. The Social Force Model is one of the most popular alternatives to describe the motion of pedestrians. By resorting to a physical analogy, individuals are assimilated to point-wise particles subject to social forces which drive their dynamics. Such a model implicitly assumes that humans move isotropically. On the contrary, empirical evidence shows that people do have a preferred direction of motion, walking forward most of the time. Lateral motions are observed only in specific circumstances, such as when navigating in overcrowded environments or avoiding unexpected obstacles. In this paper, the Headed Social Force Model is introduced in order to improve the realism of the trajectories generated by the classical Social Force Model. The key feature of the proposed approach is the inclusion of the pedestrians' heading into the dynamic model used to describe the motion of each individual. The force and torque representing the model inputs are computed as suitable functions of the force terms resulting from the traditional Social Force Model. Moreover, a new force contribution is introduced in order to model the behavior of people walking together as a single group. The proposed model features high versatility, being able to reproduce both the unicycle-like trajectories typical of people moving in open spaces and the point-wise motion patterns occurring in high density scenarios. Extensive numerical simulations show an increased regularity of the resulting trajectories and confirm a general improvement of the model realism.

  17. Effect of attractive interactions between polymers on the effective force acting between colloids immersed in a polymer system: Analytic liquid-state theory.

    Science.gov (United States)

    Chervanyov, A I

    2016-12-28

    By making use of the polymer reference interaction site model, we analytically study the effect of attractive interactions between polymers on the effective forces acting between colloids immersed in a polymer system. The performed theoretical analysis has no restrictions with respect to the polymer density and relative sizes of the colloids and polymers. The polymer mediated (PM) potential acting between colloids is shown to significantly depend on the strength and range of the polymer-polymer interactions. In the nano-particle limit, where the colloid radius is much smaller than the polymer gyration radius, the presence of attractive polymer-polymer interactions causes only quantitative changes to the PM potential. In the opposite limit of relatively large colloids, the polymer-polymer interactions revert the sign of the total effective force acting between colloids so that this force becomes attractive at sufficiently large polymer densities. With the objective to study an intricate interplay between the attractive PM forces and steric repulsion in different polymer density regimes, we calculate the second virial coefficient B of the total effective potential acting between colloids. The dependence of B on the polymer density is discussed in detail, revealing several novel features of the PM interactions caused by the presence of attractive polymer-polymer interactions.

  18. Application of the nuclear field theory to monopole interactions which include all the vertices of a general force

    International Nuclear Information System (INIS)

    Bes, D.R.; Dussel, G.G.; Liotta, R.J.; Sofia, H.M.; Broglia, R.A.

    1976-01-01

    The field treatment is applied to the monopole pairing and monopole particle-hole interactions in a two-level model. All the vertices of realistic interactions appear, and the problems treated here have most of the complexities of real nuclei. Yet, the model remains sufficiently simple, so that a close comparison with the results of a (conventional) treatment in which only the fermion degrees of freedom are considered is possible. The applicability to actual physical situations appears to be feasible, both for schematic or realistic forces. The advantage of including the exchange components of the interaction in the construction of the phonon is discussed. (Auth.)

  19. Identification of the cognate peptide-MHC target of T cell receptors using molecular modeling and force field scoring

    DEFF Research Database (Denmark)

    Lanzarotti, Esteban; Marcatili, Paolo; Nielsen, Morten

    2018-01-01

    Interactions of T cell receptors (TCR) to peptides in complex with MHC (p:MHC) are key features that mediate cellular immune responses. While MHC binding is required for a peptide to be presented to T cells, not all MHC binders are immunogenic. The interaction of a TCR to the p:MHC complex holds...... terms. Building a benchmark of TCR:p:MHC complexes where epitopes and non-epitopes are modelled using state-of-the-art molecular modelling tools, scoring p:MHC to a given TCR using force-fields, optimized in a cross-validation setup to evaluate TCR inter atomic interactions involved with each p:MHC, we...... and model the TCR:p:MHC complex structure. In summary, we conclude that it is possible to identify the TCR cognate target among different candidate peptides by using a force-field based model, and believe this works could lay the foundation for future work within prediction of TCR:p:MHC interactions....

  20. A radial distribution function-based open boundary force model for multi-centered molecules

    KAUST Repository

    Neumann, Philipp

    2014-06-01

    We derive an expression for radial distribution function (RDF)-based open boundary forcing for molecules with multiple interaction sites. Due to the high-dimensionality of the molecule configuration space and missing rotational invariance, a computationally cheap, 1D approximation of the arising integral expressions as in the single-centered case is not possible anymore. We propose a simple, yet accurate model invoking standard molecule- and site-based RDFs to approximate the respective integral equation. The new open boundary force model is validated for ethane in different scenarios and shows very good agreement with data from periodic simulations. © World Scientific Publishing Company.

  1. The cumulative measure of a force: A unified kinetic theory for rigid-sphere and inverse-square force law interactions

    Directory of Open Access Journals (Sweden)

    Yongbin Chang

    2011-09-01

    Full Text Available By introducing a cutoff on the cumulative measure of a force, a unified kinetic theory is developed for both rigid-sphere and inverse-square force laws. The difference between the two kinds of interactions is characterized by a parameter, γ, which is 1 for rigid-sphere interactions and -3 for inverse-square force law interactions. The quantities governed by γ include the specific reaction rates, kernels, collision frequencies, arbitrarily high orders of transition moments, arbitrarily high orders of Fokker-Planck expansion (also called Kramers-Moyal expansion coefficients, and arbitrarily high orders of energy exchange rates. The cutoff constants are shown to be incomplete gamma functions of different orders. The widely used cutoff constant in plasma physics (usually known as Coulomb logarithm is found to be exactly the zeroth order of the incomplete gamma function. The well known Arrhenius reaction rate formula comes from the first order of the incomplete gamma functions, while the negative first order can be used for fitting the fusion reaction rate between deuterium and tritium.

  2. Effects of wave-induced forcing on a circulation model of the North Sea

    Science.gov (United States)

    Staneva, Joanna; Alari, Victor; Breivik, Øyvind; Bidlot, Jean-Raymond; Mogensen, Kristian

    2017-04-01

    The effect of wind waves on water level and currents during two storms in the North Sea is investigated using a high-resolution NEMO model forced with fluxes and fields from a high-resolution wave model. The additional terms accounting for wave-current interaction that are considered in this study are the Stokes-Coriolis force and the sea-state dependent energy and momentum fluxes. The individual and collective role of these processes is quantified and the results are compared with a control run without wave effects as well as against current and water level measurements from coastal stations. We find a better agreement with observations when the circulation model is forced by sea-state dependent fluxes, especially in extreme events. The two extreme events, the storm Christian (25-27 October 2013), and about a month later, the storm Xaver (5-7 December 2013), induce different wave and surge conditions over the North Sea. Including the wave effects in the circulation model for the storm Xaver raises the modelled surge by more than 40 cm compared with the control run in the German Bight area. For the storm Christian, a difference of 20-30 cm in the surge level between the wave-forced and the stand-alone ocean model is found over the whole southern part of the North Sea. Moreover, the modelled vertical velocity profile fits the observations very well when the wave forcing is accounted for. The contribution of wave-induced forcing has been quantified indicating that this represents an important mechanism for improving water level and current predictions.

  3. The role of the ion-molecule and molecule-molecule interactions in the formation of the two-ion average force interaction potential

    CERN Document Server

    Ajrian, E A; Sidorenko, S N

    2002-01-01

    The effect of the ion-molecule and intermolecular interactions on the formation of inter-ion average force potentials is investigated within the framework of a classical ion-dipole model of electrolyte solutions. These potentials are shown to possess the Coulomb asymptotics at large distances while in the region of mean distances they reveal creation and disintegration of solvent-shared ion pairs. The calculation results provide a qualitatively authentic physical picture which is experimentally observed in strong electrolytes solutions. In particular, an increased interaction between an ion and a molecule enhances formation of ion pairs in which the ions are separated by one solvent molecule

  4. 3D force control for robotic-assisted beating heart surgery based on viscoelastic tissue model.

    Science.gov (United States)

    Liu, Chao; Moreira, Pedro; Zemiti, Nabil; Poignet, Philippe

    2011-01-01

    Current cardiac surgery faces the challenging problem of heart beating motion even with the help of mechanical stabilizer which makes delicate operation on the heart surface difficult. Motion compensation methods for robotic-assisted beating heart surgery have been proposed recently in literature, but research on force control for such kind of surgery has hardly been reported. Moreover, the viscoelasticity property of the interaction between organ tissue and robotic instrument further complicates the force control design which is much easier in other applications by assuming the interaction model to be elastic (industry, stiff object manipulation, etc.). In this work, we present a three-dimensional force control method for robotic-assisted beating heart surgery taking into consideration of the viscoelastic interaction property. Performance studies based on our D2M2 robot and 3D heart beating motion information obtained through Da Vinci™ system are provided.

  5. Importance of the ion-pair interactions in the OPEP coarse-grained force field: parametrization and validation.

    Science.gov (United States)

    Sterpone, Fabio; Nguyen, Phuong H; Kalimeri, Maria; Derreumaux, Philippe

    2013-10-08

    We have derived new effective interactions that improve the description of ion-pairs in the OPEP coarse-grained force field without introducing explicit electrostatic terms. The iterative Boltzmann inversion method was used to extract these potentials from all atom simulations by targeting the radial distribution function of the distance between the center of mass of the side-chains. The new potentials have been tested on several systems that differ in structural properties, thermodynamic stabilities and number of ion-pairs. Our modeling, by refining the packing of the charged amino-acids, impacts the stability of secondary structure motifs and the population of intermediate states during temperature folding/unfolding; it also improves the aggregation propensity of peptides. The new version of the OPEP force field has the potentiality to describe more realistically a large spectrum of situations where salt-bridges are key interactions.

  6. Molecular Theory and the Effects of Solute Attractive Forces on Hydrophobic Interactions.

    Science.gov (United States)

    Chaudhari, Mangesh I; Rempe, Susan B; Asthagiri, D; Tan, L; Pratt, L R

    2016-03-03

    The role of solute attractive forces on hydrophobic interactions is studied by coordinated development of theory and simulation results for Ar atoms in water. We present a concise derivation of the local molecular field (LMF) theory for the effects of solute attractive forces on hydrophobic interactions, a derivation that clarifies the close relation of LMF theory to the EXP approximation applied to this problem long ago. The simulation results show that change from purely repulsive atomic solute interactions to include realistic attractive interactions diminishes the strength of hydrophobic bonds. For the Ar-Ar rdfs considered pointwise, the numerical results for the effects of solute attractive forces on hydrophobic interactions are opposite in sign and larger in magnitude than predicted by LMF theory. That comparison is discussed from the point of view of quasichemical theory, and it is suggested that the first reason for this difference is the incomplete evaluation within LMF theory of the hydration energy of the Ar pair. With a recent suggestion for the system-size extrapolation of the required correlation function integrals, the Ar-Ar rdfs permit evaluation of osmotic second virial coefficients B2. Those B2's also show that incorporation of attractive interactions leads to more positive (repulsive) values. With attractive interactions in play, B2 can change from positive to negative values with increasing temperatures. This is consistent with the puzzling suggestions of decades ago that B2 ≈ 0 for intermediate cases of temperature or solute size. In all cases here, B2 becomes more attractive with increasing temperature.

  7. Long range forces and limits on unparticle interactions

    International Nuclear Information System (INIS)

    Deshpande, N.G.; Hsu, Stephen D.H.; Jiang Jing

    2008-01-01

    Couplings between standard model particles and unparticles from a nontrivial scale invariant sector can lead to long range forces. If the forces couple to quantities such as baryon or lepton (electron) number, stringent limits result from tests of the gravitational inverse square law. These limits are much stronger than from collider phenomenology and astrophysics

  8. Study on 16O in the alpha particle model using three-body forces

    International Nuclear Information System (INIS)

    Agrello, D.A.

    1979-01-01

    A study of the ground state of 16 O is made using an alpha particle model, all without internal structure, interacting through two-and three-body forces. Some nuclear properties of 16 O, such as binding energy and gaps, are also studied. (L.C.) [pt

  9. Hybrid integral-differential simulator of EM force interactions/scenario-assessment tool with pre-computed influence matrix in applications to ITER

    Science.gov (United States)

    Rozov, V.; Alekseev, A.

    2015-08-01

    A necessity to address a wide spectrum of engineering problems in ITER determined the need for efficient tools for modeling of the magnetic environment and force interactions between the main components of the magnet system. The assessment of the operating window for the machine, determined by the electro-magnetic (EM) forces, and the check of feasibility of particular scenarios play an important role for ensuring the safety of exploitation. Such analysis-powered prevention of damages forms an element of the Machine Operations and Investment Protection strategy. The corresponding analysis is a necessary step in preparation of the commissioning, which finalizes the construction phase. It shall be supported by the development of the efficient and robust simulators and multi-physics/multi-system integration of models. The developed numerical model of interactions in the ITER magnetic system, based on the use of pre-computed influence matrices, facilitated immediate and complete assessment and systematic specification of EM loads on magnets in all foreseen operating regimes, their maximum values, envelopes and the most critical scenarios. The common principles of interaction in typical bilateral configurations have been generalized for asymmetry conditions, inspired by the plasma and by the hardware, including asymmetric plasma event and magnetic system fault cases. The specification of loads is supported by the technology of functional approximation of nodal and distributed data by continuous patterns/analytical interpolants. The global model of interactions together with the mesh-independent analytical format of output provides the source of self-consistent and transferable data on the spatial distribution of the system of forces for assessments of structural performance of the components, assemblies and supporting structures. The numerical model used is fully parametrized, which makes it very suitable for multi-variant and sensitivity studies (positioning, off

  10. Measuring cell viscoelastic properties using a force-spectrometer: influence of protein-cytoplasm interactions.

    Science.gov (United States)

    Canetta, Elisabetta; Duperray, Alain; Leyrat, Anne; Verdier, Claude

    2005-01-01

    Cell adhesive and rheological properties play a very important role in cell transmigration through the endothelial barrier, in particular in the case of inflammation (leukocytes) or cancer metastasis (cancer cells). In order to characterize cell viscoelastic properties, we have designed a force spectrometer (AFM) which can stretch cells thereby allowing measurement of their rheological properties. This custom-made force spectrometer allows two different visualizations, one lateral and one from below. It allows investigation of the effects of rheology involved during cell stretching. To test the ability of our system to characterize such viscoelastic properties, ICAM-1 transfected CHO cells were analyzed. Two forms of ICAM-1 were tested; wild type ICAM-1, which can interact with the cytoskeleton, and a mutant form which lacks the cytoplasmic domain, and is unable to associate with the cytoskeleton. Stretching experiments carried out on these cells show the formation of long filaments. Using a previous model of filament elongation, we could determine the viscoelastic properties of a single cell. As expected, different viscoelastic components were found between the wild type and the mutant, which reveal that the presence of interactions between ICAM-1 and the cytoskeleton increases the stiffness of the cell.

  11. Human-Human Interaction Forces and Interlimb Coordination During Side-by-Side Walking With Hand Contact.

    Science.gov (United States)

    Sylos-Labini, Francesca; d'Avella, Andrea; Lacquaniti, Francesco; Ivanenko, Yury

    2018-01-01

    Handholding can naturally occur between two walkers. When people walk side-by-side, either with or without hand contact, they often synchronize their steps. However, despite the importance of haptic interaction in general and the natural use of hand contact between humans during walking, few studies have investigated forces arising from physical interactions. Eight pairs of adult subjects participated in this study. They walked on side-by-side treadmills at 4 km/h independently and with hand contact. Only hand contact-related sensory information was available for unintentional synchronization, while visual and auditory communication was obstructed. Subjects walked at their natural cadences or following a metronome. Limb kinematics, hand contact 3D interaction forces and EMG activity of 12 upper limb muscles were recorded. Overall, unintentional step frequency locking was observed during about 40% of time in 88% of pairs walking with hand contact. On average, the amplitude of contact arm oscillations decreased while the contralateral (free) arm oscillated in the same way as during normal walking. Interestingly, EMG activity of the shoulder muscles of the contact arm did not decrease, and their synergistic pattern remained similar. The amplitude of interaction forces and of trunk oscillations was similar for synchronized and non-synchronized steps, though the synchronized steps were characterized by significantly more regular orientations of interaction forces. Our results further support the notion that gait synchronization during natural walking is common, and that it may occur through interaction forces. Conservation of the proximal muscle activity of the contact (not oscillating) arm is consistent with neural coupling between cervical and lumbosacral pattern generation circuitries ("quadrupedal" arm-leg coordination) during human gait. Overall, the findings suggest that individuals might integrate force interaction cues to communicate and coordinate steps during

  12. Human-Human Interaction Forces and Interlimb Coordination During Side-by-Side Walking With Hand Contact

    Directory of Open Access Journals (Sweden)

    Francesca Sylos-Labini

    2018-03-01

    Full Text Available Handholding can naturally occur between two walkers. When people walk side-by-side, either with or without hand contact, they often synchronize their steps. However, despite the importance of haptic interaction in general and the natural use of hand contact between humans during walking, few studies have investigated forces arising from physical interactions. Eight pairs of adult subjects participated in this study. They walked on side-by-side treadmills at 4 km/h independently and with hand contact. Only hand contact-related sensory information was available for unintentional synchronization, while visual and auditory communication was obstructed. Subjects walked at their natural cadences or following a metronome. Limb kinematics, hand contact 3D interaction forces and EMG activity of 12 upper limb muscles were recorded. Overall, unintentional step frequency locking was observed during about 40% of time in 88% of pairs walking with hand contact. On average, the amplitude of contact arm oscillations decreased while the contralateral (free arm oscillated in the same way as during normal walking. Interestingly, EMG activity of the shoulder muscles of the contact arm did not decrease, and their synergistic pattern remained similar. The amplitude of interaction forces and of trunk oscillations was similar for synchronized and non-synchronized steps, though the synchronized steps were characterized by significantly more regular orientations of interaction forces. Our results further support the notion that gait synchronization during natural walking is common, and that it may occur through interaction forces. Conservation of the proximal muscle activity of the contact (not oscillating arm is consistent with neural coupling between cervical and lumbosacral pattern generation circuitries (“quadrupedal” arm-leg coordination during human gait. Overall, the findings suggest that individuals might integrate force interaction cues to communicate and

  13. Modeling attacker-defender interactions in information networks.

    Energy Technology Data Exchange (ETDEWEB)

    Collins, Michael Joseph

    2010-09-01

    The simplest conceptual model of cybersecurity implicitly views attackers and defenders as acting in isolation from one another: an attacker seeks to penetrate or disrupt a system that has been protected to a given level, while a defender attempts to thwart particular attacks. Such a model also views all non-malicious parties as having the same goal of preventing all attacks. But in fact, attackers and defenders are interacting parts of the same system, and different defenders have their own individual interests: defenders may be willing to accept some risk of successful attack if the cost of defense is too high. We have used game theory to develop models of how non-cooperative but non-malicious players in a network interact when there is a substantial cost associated with effective defensive measures. Although game theory has been applied in this area before, we have introduced some novel aspects of player behavior in our work, including: (1) A model of how players attempt to avoid the costs of defense and force others to assume these costs; (2) A model of how players interact when the cost of defending one node can be shared by other nodes; and (3) A model of the incentives for a defender to choose less expensive, but less effective, defensive actions.

  14. Force Modelling in Orthogonal Cutting Considering Flank Wear Effect

    Science.gov (United States)

    Rathod, Kanti Bhikhubhai; Lalwani, Devdas I.

    2017-05-01

    In the present work, an attempt has been made to provide a predictive cutting force model during orthogonal cutting by combining two different force models, that is, a force model for a perfectly sharp tool plus considering the effect of edge radius and a force model for a worn tool. The first force model is for a perfectly sharp tool that is based on Oxley's predictive machining theory for orthogonal cutting as the Oxley's model is for perfectly sharp tool, the effect of cutting edge radius (hone radius) is added and improve model is presented. The second force model is based on worn tool (flank wear) that was proposed by Waldorf. Further, the developed combined force model is also used to predict flank wear width using inverse approach. The performance of the developed combined total force model is compared with the previously published results for AISI 1045 and AISI 4142 materials and found reasonably good agreement.

  15. Propulsion and airframe aerodynamic interactions of supersonic V/STOL configurations. Volume 2: Wind tunnel test force and moment data report

    Science.gov (United States)

    Zilz, D. E.

    1985-01-01

    A wind tunnel model of a supersonic V/STOL fighter configuration has been tested to measure the aerodynamic interaction effects which can result from geometrically close-coupled propulsion system/airframe components. The approach was to configure the model to represent two different test techniques. One was a conventional test technique composed of two test modes. In the Flow-Through mode, absolute configuration aerodynamics are measured, including inlet/airframe interactions. In the Jet-Effects mode, incremental nozzle/airframe interactions are measured. The other test technique is a propulsion simulator approach, where a sub-scale, externally powered engine is mounted in the model. This allows proper measurement of inlet/airframe and nozzle/airframe interactions simultaneously. This is Volume 2 of 2: Wind Tunnel Test Force and Moment Data Report.

  16. Incorporating water-release and lateral protein interactions in modeling equilibrium adsorption for ion-exchange chromatography.

    Science.gov (United States)

    Thrash, Marvin E; Pinto, Neville G

    2006-09-08

    The equilibrium adsorption of two albumin proteins on a commercial ion exchanger has been studied using a colloidal model. The model accounts for electrostatic and van der Waals forces between proteins and the ion exchanger surface, the energy of interaction between adsorbed proteins, and the contribution of entropy from water-release accompanying protein adsorption. Protein-surface interactions were calculated using methods previously reported in the literature. Lateral interactions between adsorbed proteins were experimentally measured with microcalorimetry. Water-release was estimated by applying the preferential interaction approach to chromatographic retention data. The adsorption of ovalbumin and bovine serum albumin on an anion exchanger at solution pH>pI of protein was measured. The experimental isotherms have been modeled from the linear region to saturation, and the influence of three modulating alkali chlorides on capacity has been evaluated. The heat of adsorption is endothermic for all cases studied, despite the fact that the net charge on the protein is opposite that of the adsorbing surface. Strong repulsive forces between adsorbed proteins underlie the endothermic heat of adsorption, and these forces intensify with protein loading. It was found that the driving force for adsorption is the entropy increase due to the release of water from the protein and adsorbent surfaces. It is shown that the colloidal model predicts protein adsorption capacity in both the linear and non-linear isotherm regions, and can account for the effects of modulating salt.

  17. Phase relations in a forced turbulent boundary layer: implications for modelling of high Reynolds number wall turbulence.

    Science.gov (United States)

    Duvvuri, Subrahmanyam; McKeon, Beverley

    2017-03-13

    Phase relations between specific scales in a turbulent boundary layer are studied here by highlighting the associated nonlinear scale interactions in the flow. This is achieved through an experimental technique that allows for targeted forcing of the flow through the use of a dynamic wall perturbation. Two distinct large-scale modes with well-defined spatial and temporal wavenumbers were simultaneously forced in the boundary layer, and the resulting nonlinear response from their direct interactions was isolated from the turbulence signal for the study. This approach advances the traditional studies of large- and small-scale interactions in wall turbulence by focusing on the direct interactions between scales with triadic wavenumber consistency. The results are discussed in the context of modelling high Reynolds number wall turbulence.This article is part of the themed issue 'Toward the development of high-fidelity models of wall turbulence at large Reynolds number'. © 2017 The Author(s).

  18. Molecular interactions and residues involved in force generation in the T4 viral DNA packaging motor.

    Science.gov (United States)

    Migliori, Amy D; Smith, Douglas E; Arya, Gaurav

    2014-12-12

    Many viruses utilize molecular motors to package their genomes into preformed capsids. A striking feature of these motors is their ability to generate large forces to drive DNA translocation against entropic, electrostatic, and bending forces resisting DNA confinement. A model based on recently resolved structures of the bacteriophage T4 motor protein gp17 suggests that this motor generates large forces by undergoing a conformational change from an extended to a compact state. This transition is proposed to be driven by electrostatic interactions between complementarily charged residues across the interface between the N- and C-terminal domains of gp17. Here we use atomistic molecular dynamics simulations to investigate in detail the molecular interactions and residues involved in such a compaction transition of gp17. We find that although electrostatic interactions between charged residues contribute significantly to the overall free energy change of compaction, interactions mediated by the uncharged residues are equally if not more important. We identify five charged residues and six uncharged residues at the interface that play a dominant role in the compaction transition and also reveal salt bridging, van der Waals, and solvent hydrogen-bonding interactions mediated by these residues in stabilizing the compact form of gp17. The formation of a salt bridge between Glu309 and Arg494 is found to be particularly crucial, consistent with experiments showing complete abrogation in packaging upon Glu309Lys mutation. The computed contributions of several other residues are also found to correlate well with single-molecule measurements of impairments in DNA translocation activity caused by site-directed mutations. Copyright © 2014 Elsevier Ltd. All rights reserved.

  19. Interaction of methotrexate with trypsin analyzed by spectroscopic and molecular modeling methods

    Science.gov (United States)

    Wang, Yanqing; Zhang, Hongmei; Cao, Jian; Zhou, Qiuhua

    2013-11-01

    Trypsin is one of important digestive enzymes that have intimate correlation with human health and illness. In this work, the interaction of trypsin with methotrexate was investigated by spectroscopic and molecular modeling methods. The results revealed that methotrexate could interact with trypsin with about one binding site. Methotrexate molecule could enter into the primary substrate-binding pocket, resulting in inhibition of trypsin activity. Furthermore, the thermodynamic analysis implied that electrostatic force, hydrogen bonding, van der Waals and hydrophobic interactions were the main interactions for stabilizing the trypsin-methotrexate system, which agreed well with the results from the molecular modeling study.

  20. Porter S Five Forces Model Scott Morton S Five Forces Model Bakos Treacy Model Analyzes Strategic Information Systems Management

    OpenAIRE

    Gamayanto, Indra

    2004-01-01

    Wollongong City Council (WCC) is one of the most progressive and innovative local government organizations in Australia. Wollongong City Council use Information Technology to gain the competitive advantage and to face a global economy in the future. Porter's Five Force model is one of the models that can be using at Wollongong City Council because porter's five Forces model has strength in relationship between buyer and suppliers (Bargaining power of suppliers and bargaining power of buyers)....

  1. Three-particle forces and nuclear models

    International Nuclear Information System (INIS)

    Krutov, V.A.

    1980-01-01

    Different nuclear models accounting and unaccounting for three-particle internucleon forces (TIF) are reviewed. At present only two nuclear models use manifestly TIP: the Vautherin-Brink-Skyrme (VBS) model and the model proposed by the author of the review and called the semiphenomenological (SP) nuclear model. There is a short discussion of major drawbacks of models unaccounting for TIF: multiparticle shell model, ''superfluid model'', Harty-Fock calculations with two-particle forces, Bruckner-Hartry-Fock calculations, the relativistic self-consistent nuclear model. The VBS and SP models are discussed in detail. It is concluded, that the employment of TIF even in a very simplified form (extremely short-range) puts away a lot of problems characteristic to models limited by two-particle forces (collapse at iteratious in Hartry-Fock, simultaneous fitting of the binding energy of a nucleus and the binding energy of a nucleon, etc.) and makes it possible to obtain in a rather simple way such nuclear characteristics as nuclear binding energy, nuclear mean square root radii, nucleon density of a nucleus

  2. Multi-Axis Force Sensor for Human-Robot Interaction Sensing in a Rehabilitation Robotic Device.

    Science.gov (United States)

    Grosu, Victor; Grosu, Svetlana; Vanderborght, Bram; Lefeber, Dirk; Rodriguez-Guerrero, Carlos

    2017-06-05

    Human-robot interaction sensing is a compulsory feature in modern robotic systems where direct contact or close collaboration is desired. Rehabilitation and assistive robotics are fields where interaction forces are required for both safety and increased control performance of the device with a more comfortable experience for the user. In order to provide an efficient interaction feedback between the user and rehabilitation device, high performance sensing units are demanded. This work introduces a novel design of a multi-axis force sensor dedicated for measuring pelvis interaction forces in a rehabilitation exoskeleton device. The sensor is conceived such that it has different sensitivity characteristics for the three axes of interest having also movable parts in order to allow free rotations and limit crosstalk errors. Integrated sensor electronics make it easy to acquire and process data for a real-time distributed system architecture. Two of the developed sensors are integrated and tested in a complex gait rehabilitation device for safe and compliant control.

  3. Application of atomic force microscopy to the study of natural and model soil particles.

    Science.gov (United States)

    Cheng, S; Bryant, R; Doerr, S H; Rhodri Williams, P; Wright, C J

    2008-09-01

    The structure and surface chemistry of soil particles has extensive impact on many bulk scale properties and processes of soil systems and consequently the environments that they support. There are a number of physiochemical mechanisms that operate at the nanoscale which affect the soil's capability to maintain native vegetation and crops; this includes soil hydrophobicity and the soil's capacity to hold water and nutrients. The present study used atomic force microscopy in a novel approach to provide unique insight into the nanoscale properties of natural soil particles that control the physiochemical interaction of material within the soil column. There have been few atomic force microscopy studies of soil, perhaps a reflection of the heterogeneous nature of the system. The present study adopted an imaging and force measurement research strategy that accounted for the heterogeneity and used model systems to aid interpretation. The surface roughness of natural soil particles increased with depth in the soil column a consequence of the attachment of organic material within the crevices of the soil particles. The roughness root mean square calculated from ten 25 microm(2) images for five different soil particles from a Netherlands soil was 53.0 nm, 68.0 nm, 92.2 nm and 106.4 nm for the respective soil depths of 0-10 cm, 10-20 cm, 20-30 cm and 30-40 cm. A novel analysis method of atomic force microscopy phase images based on phase angle distribution across a surface was used to interpret the nanoscale distribution of organic material attached to natural and model soil particles. Phase angle distributions obtained from phase images of model surfaces were found to be bimodal, indicating multiple layers of material, which changed with the concentration of adsorbed humic acid. Phase angle distributions obtained from phase images of natural soil particles indicated a trend of decreasing surface coverage with increasing depth in the soil column. This was consistent with

  4. Measurement and modeling on hydrodynamic forces and deformation of an air bubble approaching a solid sphere in liquids.

    Science.gov (United States)

    Shahalami, Mansoureh; Wang, Louxiang; Wu, Chu; Masliyah, Jacob H; Xu, Zhenghe; Chan, Derek Y C

    2015-03-01

    The interaction between bubbles and solid surfaces is central to a broad range of industrial and biological processes. Various experimental techniques have been developed to measure the interactions of bubbles approaching solids in a liquid. A main challenge is to accurately and reliably control the relative motion over a wide range of hydrodynamic conditions and at the same time to determine the interaction forces, bubble-solid separation and bubble deformation. Existing experimental methods are able to focus only on one of the aspects of this problem, mostly for bubbles and particles with characteristic dimensions either below 100 μm or above 1 cm. As a result, either the interfacial deformations are measured directly with the forces being inferred from a model, or the forces are measured directly with the deformations to be deduced from the theory. The recently developed integrated thin film drainage apparatus (ITFDA) filled the gap of intermediate bubble/particle size ranges that are commonly encountered in mineral and oil recovery applications. Equipped with side-view digital cameras along with a bimorph cantilever as force sensor and speaker diaphragm as the driver for bubble to approach a solid sphere, the ITFDA has the capacity to measure simultaneously and independently the forces and interfacial deformations as a bubble approaches a solid sphere in a liquid. Coupled with the thin liquid film drainage modeling, the ITFDA measurement allows the critical role of surface tension, fluid viscosity and bubble approach speed in determining bubble deformation (profile) and hydrodynamic forces to be elucidated. Here we compare the available methods of studying bubble-solid interactions and demonstrate unique features and advantages of the ITFDA for measuring both forces and bubble deformations in systems of Reynolds numbers as high as 10. The consistency and accuracy of such measurement are tested against the well established Stokes-Reynolds-Young-Laplace model

  5. Flight Dynamics of Flexible Aircraft with Aeroelastic and Inertial Force Interactions

    Science.gov (United States)

    Nguyen, Nhan T.; Tuzcu, Ilhan

    2009-01-01

    This paper presents an integrated flight dynamic modeling method for flexible aircraft that captures coupled physics effects due to inertial forces, aeroelasticity, and propulsive forces that are normally present in flight. The present approach formulates the coupled flight dynamics using a structural dynamic modeling method that describes the elasticity of a flexible, twisted, swept wing using an equivalent beam-rod model. The structural dynamic model allows for three types of wing elastic motion: flapwise bending, chordwise bending, and torsion. Inertial force coupling with the wing elasticity is formulated to account for aircraft acceleration. The structural deflections create an effective aeroelastic angle of attack that affects the rigid-body motion of flexible aircraft. The aeroelastic effect contributes to aerodynamic damping forces that can influence aerodynamic stability. For wing-mounted engines, wing flexibility can cause the propulsive forces and moments to couple with the wing elastic motion. The integrated flight dynamics for a flexible aircraft are formulated by including generalized coordinate variables associated with the aeroelastic-propulsive forces and moments in the standard state-space form for six degree-of-freedom flight dynamics. A computational structural model for a generic transport aircraft has been created. The eigenvalue analysis is performed to compute aeroelastic frequencies and aerodynamic damping. The results will be used to construct an integrated flight dynamic model of a flexible generic transport aircraft.

  6. Force 2025 and Beyond Strategic Force Design Analytic Model

    Science.gov (United States)

    2017-01-12

    focused thinking , functional hierarchy, task capability matching 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT U 18. NUMBER OF...describe and evaluate current organizational designs in terms of Force Employment and Force Design using the model to offer recommendations and analysis...developed to illuminate the current organizational design structure to better understand how the network of BCTs and enablers function in today’s steady

  7. Soil-blade orientation effect on tillage forces determined by 3D finite element models

    Directory of Open Access Journals (Sweden)

    Ayadi Ibrahmi

    2014-10-01

    Full Text Available This paper investigated the effect of the cutting parameters of a blade on the tillage force components using finite element modeling. A three-dimensional model was carried out with Abaqus Explicit in order to study the interaction between the tool and soil. The soil was modeled with linear forms of the Drucker-Pager model, while the tool was considered as a rigid body with a reference point taken at its tip. The effect of tillage depth and the width of a vertical blade were studied. It was found that the amounts of the draught and vertical forces increase linearly with a slope of 0.037 and 0.0143 respectively when the width increases. The narrow tool (width< 60mm has a greater effect on the specific draught force than a larger tool. Draught and specific draught force increase with polynomial and linear curve respectively versus the depth. However, this effect was reduced for the vertical force. These results were in a good agreement with previously published works. The second part of this paper is focused on the oblique position of the blade to evaluate the effect of the attack angles on both the tillage forces (draught, lateral and vertical and the cutting process of the soil during and after its failure. For all considered angles, the draught force presents the highest values compared to the vertical and lateral forces. Results showed that working with small cutting and an average rake angles (30° to 60° and 45° respectively can produce a good soil inversion.

  8. Stability diagram for the forced Kuramoto model.

    Science.gov (United States)

    Childs, Lauren M; Strogatz, Steven H

    2008-12-01

    We analyze the periodically forced Kuramoto model. This system consists of an infinite population of phase oscillators with random intrinsic frequencies, global sinusoidal coupling, and external sinusoidal forcing. It represents an idealization of many phenomena in physics, chemistry, and biology in which mutual synchronization competes with forced synchronization. In other words, the oscillators in the population try to synchronize with one another while also trying to lock onto an external drive. Previous work on the forced Kuramoto model uncovered two main types of attractors, called forced entrainment and mutual entrainment, but the details of the bifurcations between them were unclear. Here we present a complete bifurcation analysis of the model for a special case in which the infinite-dimensional dynamics collapse to a two-dimensional system. Exact results are obtained for the locations of Hopf, saddle-node, and Takens-Bogdanov bifurcations. The resulting stability diagram bears a striking resemblance to that for the weakly nonlinear forced van der Pol oscillator.

  9. Cantilever contribution to the total electrostatic force measured with the atomic force microscope

    International Nuclear Information System (INIS)

    Guriyanova, Svetlana; Golovko, Dmytro S; Bonaccurso, Elmar

    2010-01-01

    The atomic force microscope (AFM) is a powerful tool for surface imaging at the nanometer scale and surface force measurements in the piconewton range. Among long-range surface forces, the electrostatic forces play a predominant role. They originate if the electric potentials of the substrate and of the tip of the AFM cantilever are different. A quantitative interpretation of the AFM signal is often difficult because it depends in a complicated fashion on the cantilever–tip–surface geometry. Since the electrostatic interaction is a long-range interaction, the cantilever, which is many microns from the surface, contributes to the total electrostatic force along with the tip. Here we present results of the electrostatic interaction between a conducting flat surface and horizontal or tilted cantilevers, with and without tips, at various distances from the surface. As addressed in a previous work, we show that the contribution of the cantilever to the overall force cannot be neglected. Based on a predictive model and on 3D confocal measurements, we discuss the influence of the tilting angle of the cantilever

  10. Computational model to investigate the relative contributions of different neuromuscular properties of tibialis anterior on force generated during ankle dorsiflexion.

    Science.gov (United States)

    Siddiqi, Ariba; Poosapadi Arjunan, Sridhar; Kumar, Dinesh Kant

    2018-01-16

    This study describes a new model of the force generated by tibialis anterior muscle with three new features: single-fiber action potential, twitch force, and pennation angle. This model was used to investigate the relative effects and interaction of ten age-associated neuromuscular parameters. Regression analysis (significance level of 0.05) between the neuromuscular properties and corresponding simulated force produced at the footplate was performed. Standardized slope coefficients were computed to rank the effect of the parameters. The results show that reduction in the average firing rate is the reason for the sharp decline in the force and other factors, such as number of muscle fibers, specific force, pennation angle, and innervation ratio. The fast fiber ratio affects the simulated force through two significant interactions. This study has ranked the individual contributions of the neuromuscular factors to muscle strength decline of the TA and identified firing rate decline as the biggest cause followed by decrease in muscle fiber number and specific force. The strategy for strength preservation for the elderly should focus on improving firing rate. Graphical abstract Neuromuscular properties of Tibialis Anterior on force generated during ankle dorsiflexion.

  11. Mathematical models and methods of localized interaction theory

    CERN Document Server

    Bunimovich, AI

    1995-01-01

    The interaction of the environment with a moving body is called "localized" if it has been found or assumed that the force or/and thermal influence of the environment on each body surface point is independent and can be determined by the local geometrical and kinematical characteristics of this point as well as by the parameters of the environment and body-environment interactions which are the same for the whole surface of contact.Such models are widespread in aerodynamics and gas dynamics, covering supersonic and hypersonic flows, and rarefied gas flows. They describe the influence of light

  12. G-mode magnetic force microscopy: Separating magnetic and electrostatic interactions using big data analytics

    Energy Technology Data Exchange (ETDEWEB)

    Collins, Liam; Belianinov, Alex; Kalinin, Sergei V.; Jesse, Stephen [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Institute for Functional Imaging of Materials, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Proksch, Roger [Asylum Research, An Oxford Instruments Company, Santa Barbara, California 93117 (United States); Zuo, Tingting [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China); Deptarment of Materials Science and Engineering, The University of Tennessee, Knoxville, Tennessee 37996-2200 (United States); Zhang, Yong [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China); Liaw, Peter K. [Deptarment of Materials Science and Engineering, The University of Tennessee, Knoxville, Tennessee 37996-2200 (United States)

    2016-05-09

    In this work, we develop a full information capture approach for Magnetic Force Microscopy (MFM), referred to as generalized mode (G-Mode) MFM. G-Mode MFM acquires and stores the full data stream from the photodetector, captured at sampling rates approaching the intrinsic photodiode limit. The data can be subsequently compressed, denoised, and analyzed, without information loss. Here, G-Mode MFM is implemented and compared to the traditional heterodyne-based MFM on model systems, including domain structures in ferromagnetic Yttrium Iron Garnet and the electronically and magnetically inhomogeneous high entropy alloy, CoFeMnNiSn. We investigate the use of information theory to mine the G-Mode MFM data and demonstrate its usefulness for extracting information which may be hidden in traditional MFM modes, including signatures of nonlinearities and mode-coupling phenomena. Finally, we demonstrate detection and separation of magnetic and electrostatic tip-sample interactions from a single G-Mode image, by analyzing the entire frequency response of the cantilever. G-Mode MFM is immediately implementable on any atomic force microscopy platform and as such is expected to be a useful technique for probing spatiotemporal cantilever dynamics and mapping material properties, as well as their mutual interactions.

  13. Gauge unification of basic forces particularly of gravitation with strong interactions

    International Nuclear Information System (INIS)

    Salam, A.

    1977-01-01

    Corresponding to the two known types of gauge theories, Yang-Mills with spin-one mediating particles and Einstein Weyl with spin-two mediating particles, it is speculated that two distinct gauge unifications of the basic forces appear to be taking place. One is the familiar Yang-Mills unification of weak and electromagnetic forces with the strong. The second is the less familiar gauge unification of gravitation with spin-two tensor-dominated aspects of strong interactions. It is proposed that there are strongly interacting spin-two strong gravitons obeying Einstein's equations, and their existence gives a clue to an understanding of the (partial) confinement of quarks, as well as of the concept of hadronic temperature, through the use of Schwarzschild de-Sitter-like partially confining solitonic solutions of the strong gravity Einstein equation

  14. Interactive Multimedia Software on Fundamental Particles and Forces. Final Technical Report

    International Nuclear Information System (INIS)

    Jack Sculley

    1999-01-01

    Research in the SBIR Phase 2 grant number 95 ER 81944 centered on creating interactive multimedia software for teaching basic concepts in particle physics on fundamental particles and forces. The work was undertaken from February 1997 through July 1998. Overall the project has produced some very encouraging results in terms of product development, interest from the general public and interest from potential Phase 3 funders. Although the original Phase 3 publisher, McGraw Hill Home Interactive, was dissolved by its parent company, and other changes in the CD-ROM industry forced them to change their focus from CD-ROM to the Internet, there has been substantial interest from software publishers and online content providers in the content developed in the course of the Phase 2 research. Results are summarized

  15. Dissipation and oscillatory solvation forces in confined liquids studied by small amplitude atomic force spectroscopy

    NARCIS (Netherlands)

    de Beer, Sissi; van den Ende, Henricus T.M.; Mugele, Friedrich

    2010-01-01

    We determine conservative and dissipative tip–sample interaction forces from the amplitude and phase response of acoustically driven atomic force microscope (AFM) cantilevers using a non-polar model fluid (octamethylcyclotetrasiloxane, which displays strong molecular layering) and atomically flat

  16. Charge-Spot Model for Electrostatic Forces in Simulation of Fine Particulates

    Science.gov (United States)

    Walton, Otis R.; Johnson, Scott M.

    2010-01-01

    The charge-spot technique for modeling the static electric forces acting between charged fine particles entails treating electric charges on individual particles as small sets of discrete point charges, located near their surfaces. This is in contrast to existing models, which assume a single charge per particle. The charge-spot technique more accurately describes the forces, torques, and moments that act on triboelectrically charged particles, especially image-charge forces acting near conducting surfaces. The discrete element method (DEM) simulation uses a truncation range to limit the number of near-neighbor charge spots via a shifted and truncated potential Coulomb interaction. The model can be readily adapted to account for induced dipoles in uncharged particles (and thus dielectrophoretic forces) by allowing two charge spots of opposite signs to be created in response to an external electric field. To account for virtual overlap during contacts, the model can be set to automatically scale down the effective charge in proportion to the amount of virtual overlap of the charge spots. This can be accomplished by mimicking the behavior of two real overlapping spherical charge clouds, or with other approximate forms. The charge-spot method much more closely resembles real non-uniform surface charge distributions that result from tribocharging than simpler approaches, which just assign a single total charge to a particle. With the charge-spot model, a single particle may have a zero net charge, but still have both positive and negative charge spots, which could produce substantial forces on the particle when it is close to other charges, when it is in an external electric field, or when near a conducting surface. Since the charge-spot model can contain any number of charges per particle, can be used with only one or two charge spots per particle for simulating charging from solar wind bombardment, or with several charge spots for simulating triboelectric charging

  17. Force Modeling, Identification, and Feedback Control of Robot-Assisted Needle Insertion: A Survey of the Literature

    Directory of Open Access Journals (Sweden)

    Chongjun Yang

    2018-02-01

    Full Text Available Robot-assisted surgery is of growing interest in the surgical and engineering communities. The use of robots allows surgery to be performed with precision using smaller instruments and incisions, resulting in shorter healing times. However, using current technology, an operator cannot directly feel the operation because the surgeon-instrument and instrument-tissue interaction force feedbacks are lost during needle insertion. Advancements in force feedback and control not only help reduce tissue deformation and needle deflection but also provide the surgeon with better control over the surgical instruments. The goal of this review is to summarize the key components surrounding the force feedback and control during robot-assisted needle insertion. The literature search was conducted during the middle months of 2017 using mainstream academic search engines with a combination of keywords relevant to the field. In total, 166 articles with valuable contents were analyzed and grouped into five related topics. This survey systemically summarizes the state-of-the-art force control technologies for robot-assisted needle insertion, such as force modeling, measurement, the factors that influence the interaction force, parameter identification, and force control algorithms. All studies show force control is still at its initial stage. The influence factors, needle deflection or planning remain open for investigation in future.

  18. Force Modeling, Identification, and Feedback Control of Robot-Assisted Needle Insertion: A Survey of the Literature.

    Science.gov (United States)

    Yang, Chongjun; Xie, Yu; Liu, Shuang; Sun, Dong

    2018-02-12

    Robot-assisted surgery is of growing interest in the surgical and engineering communities. The use of robots allows surgery to be performed with precision using smaller instruments and incisions, resulting in shorter healing times. However, using current technology, an operator cannot directly feel the operation because the surgeon-instrument and instrument-tissue interaction force feedbacks are lost during needle insertion. Advancements in force feedback and control not only help reduce tissue deformation and needle deflection but also provide the surgeon with better control over the surgical instruments. The goal of this review is to summarize the key components surrounding the force feedback and control during robot-assisted needle insertion. The literature search was conducted during the middle months of 2017 using mainstream academic search engines with a combination of keywords relevant to the field. In total, 166 articles with valuable contents were analyzed and grouped into five related topics. This survey systemically summarizes the state-of-the-art force control technologies for robot-assisted needle insertion, such as force modeling, measurement, the factors that influence the interaction force, parameter identification, and force control algorithms. All studies show force control is still at its initial stage. The influence factors, needle deflection or planning remain open for investigation in future.

  19. Many-body forces in nuclear shell-model

    International Nuclear Information System (INIS)

    Rath, P.K.

    1985-01-01

    In the microscopic derivation of the effective Hamiltonian for the nuclear shell model many-body forces between the valence nucleons occur. These many-body forces can be discriminated in ''real'' many-body forces, which can be related to mesonic and internal degrees of freedom of the nucleons, and ''effective'' many-body forces, which arise by the confinement of the nucleonic Hilbert space to the finite-dimension shell-model space. In the present thesis the influences of such three-body forces on the spectra of sd-shell nuclei are studied. For this the two common techniques for shell-model calculations (Oak Ridge-Rochester and Glasgow representation) are extended in such way that a general three-body term in the Hamiltonian can be regarded. The studies show that the repulsive contributions of the considered three-nucleon forces become more important with increasing number of valence nucleons. By this the particle-number dependence of empirical two-nucleon forces can be qualitatively explained. A special kind of effective many-body force occurs in the folded diagram expansion of the energy-dependent effective Hamiltonian for the shell model. Thereby it is shown that the contributions of the folded diagrams with three nucleons are just as important as those with two nucleons. Thus it is to be suspected that the folded diagram expansion contains many-particle terms with arbitrary particle number. The present studies however show that four nucleon effects are neglegible so that the folded diagram expansion can be confined to two- and three-particle terms. In shell-model calculations which extend over several main shells the influences of the spurious center-of-mass motion must be regarded. A procedure is discussed by which these spurious degrees of freedom can be exactly separated. (orig.) [de

  20. Normal and friction stabilization techniques for interactive rigid body constraint-based contact force computations

    DEFF Research Database (Denmark)

    Silcowitz-Hansen, Morten; Abel, Sarah Maria Niebe; Erleben, Kenny

    2010-01-01

    We present a novel, yet simple, method for stabilization of normal forces. A normal stabilization term, carefully designed from hypotheses about interactive usability, is added to the contact force problem. Further, we propose friction stabilization as a completely new stabilization paradigm...

  1. Multiscale modeling of interaction of alane clusters on Al(111) surfaces : a reactive force field and infrared absorbtion spectroscopy approach

    NARCIS (Netherlands)

    Ojwang, J.G.O.; Chaudhuri, S.; Duin, van A.C.T.; Chabal, Y.J.; Veyan, J.-F.; Santen, van R.A.; Kramer, G.J.; Goddard III, W.A.

    2010-01-01

    We have used reactive force field (ReaxFF) to investigate the mechanism of interaction of alanes on Al(111) surface. Our simulations show that, on the Al(111) surface, alanes oligomerize into larger alanes. In addition, from our simulations, adsorption of atomic hydrogen on Al(111) surface leads to

  2. Activation force splines

    DEFF Research Database (Denmark)

    Engell-Nørregård, Morten Pol; Erleben, Kenny

    We present a method for simulating the active contraction of deformable models, usable for interactive animation of soft deformable objects. We present a novel physical principle as the governing equation for the coupling between the low dimensional 1D activation force model and the higher...

  3. Physical Forces between Humans and How Humans Attract and Repel Each Other Based on Their Social Interactions in an Online World.

    Directory of Open Access Journals (Sweden)

    Stefan Thurner

    Full Text Available Physical interactions between particles are the result of the exchange of gauge bosons. Human interactions are mediated by the exchange of messages, goods, money, promises, hostilities, etc. While in the physical world interactions and their associated forces have immediate dynamical consequences (Newton's laws the situation is not clear for human interactions. Here we quantify the relative acceleration between humans who interact through the exchange of messages, goods and hostilities in a massive multiplayer online game. For this game we have complete information about all interactions (exchange events between about 430,000 players, and about their trajectories (movements in the metric space of the game universe at any point in time. We use this information to derive "interaction potentials" for communication, trade and attacks and show that they are harmonic in nature. Individuals who exchange messages and trade goods generally attract each other and start to separate immediately after exchange events end. The form of the interaction potential for attacks mirrors the usual "hit-and-run" tactics of aggressive players. By measuring interaction intensities as a function of distance, velocity and acceleration, we show that "forces" between players are directly related to the number of exchange events. We find an approximate power-law decay of the likelihood for interactions as a function of distance, which is in accordance with previous real world empirical work. We show that the obtained potentials can be understood with a simple model assuming an exchange-driven force in combination with a distance-dependent exchange rate.

  4. Force-dynamic cultural models in a scalar adjectival construction

    DEFF Research Database (Denmark)

    Jensen, Kim Ebensgaard

    MAG NationalGeographic) (3) If the making of a revolution is drama, punctuated with tragedies too numerous to count, making peace is long-form prose requiring iterations of conversation between people. (COCA 2011 MAG TechReview) (4) I'm too young to get married. (COCA 2011 FIC Callaloo) (5) I......'m in a certain group that's almost too old to hire. (COCA 2011 NEWS Denver) (6) Mr. Turman insisted he was too busy to meet at any other time. (COCA 2011 NEWS NYTimes) In all instances, semantic relations of force-dynamics are set up between the adjective and verb positions, such that the adjective describes...... that the constructional semantics may interact with underlying cultural models (Holland & Quinn 1987, Ungerer & Schmid 2006: 51-59) of force-dynamics or causation (d'Andrade 1987: 117-118). In their study of the English into-causative, Gries & Stefanowitsch (2004: 232-234) suggest that collexeme combinations...

  5. The Use of Force Notation to Detect Students' Misconceptions: Mutual Interactions Case

    Science.gov (United States)

    Serhane, Ahcene; Zeghdaoui, Abdelhamid; Debiache, Mehdi

    2017-01-01

    Using a conventional notation for representing forces on diagrams, students were presented with questions on the interaction between two objects. The results show that complete understanding of Newton's Third Law of Motion is quite rare, and that some problems relate to misunderstanding which force acts on each body. The use of the terms…

  6. Automobile impact forces on concrete wall panels. Technical report

    International Nuclear Information System (INIS)

    Chiapetta, R.L.; Pang, E.C.

    1982-06-01

    The objective of this study was to develop force-time impact signature data for use in the design or evaluation of nuclear power plant structures subject to tornado-borne automotive vehicle impact. The approach was based on the use of analytical vehicle models to calculate imact forces. To assess the significance of vehicle/structure interaction for head-on impact force-histories, a lumped-mass model of a reinforced concrete wall panel was coupled to a one-dimensional vehicle model for numerous panel design configurations within the range of practical interest. Vehicle-structure interaction was found to have relatively little effect on the force histories

  7. Interactions between Rotavirus and Suwannee River Organic Matter: Aggregation, Deposition, and Adhesion Force Measurement

    KAUST Repository

    Gutierrez, Leonardo

    2012-08-21

    Interactions between rotavirus and Suwannee River natural organic matter (NOM) were studied by time-resolved dynamic light scattering, quartz crystal microbalance, and atomic force microscopy. In NOM-containing NaCl solutions of up to 600 mM, rotavirus suspension remained stable for over 4 h. Atomic force microscopy (AFM) measurement for interaction force decay length at different ionic strengths showed that nonelectrostatic repulsive forces were mainly responsible for eliminating aggregation in NaCl solutions. Aggregation rates of rotavirus in solutions containing 20 mg C/L increased with divalent cation concentration until reaching a critical coagulation concentration of 30 mM CaCl2 or 70 mM MgCl2. Deposition kinetics of rotavirus on NOM-coated silica surface was studied using quartz crystal microbalance. Experimental attachment efficiencies for rotavirus adsorption to NOM-coated surface in MgCl2 solution were lower than in CaCl2 solution at a given divalent cation concentration. Stronger adhesion force was measured for virus-virus and virus-NOM interactions in CaCl2 solution compared to those in MgCl2 or NaCl solutions at the same ionic strength. This study suggested that divalent cation complexation with carboxylate groups in NOM and on virus surface was an important mechanism in the deposition and aggregation kinetics of rotavirus. © 2012 American Chemical Society.

  8. Transferability of polarizable models for ion-water electrostatic interaction

    International Nuclear Information System (INIS)

    Masia, Marco

    2009-01-01

    Studies of ion-water systems at condensed phase and at interfaces have pointed out that molecular and ionic polarization plays an important role for many phenomena ranging from hydrogen bond dynamics to water interfaces' structure. Classical and ab initio Molecular Dynamics simulations reveal that induced dipole moments at interfaces (e.g. air-water and water-protein) are usually high, hinting that polarizable models to be implemented in classical force fields should be very accurate in reproducing the electrostatic properties of the system. In this paper the electrostatic properties of three classical polarizable models for ion-water interaction are compared with ab initio results both at gas and condensed phase. For Li + - water and Cl - -water dimers the reproducibility of total dipole moments obtained with high level quantum chemical calculations is studied; for the same ions in liquid water, Car-Parrinello Molecular Dynamics simulations are used to compute the time evolution of ionic and molecular dipole moments, which are compared with the classical models. The PD2-H2O model developed by the author and coworkers [Masia et al. J. Chem. Phys. 2004, 121, 7362] together with the gaussian intermolecular damping for ion-water interaction [Masia et al. J. Chem. Phys. 2005, 123, 164505] showed to be the fittest in reproducing the ab initio results from gas to condensed phase, allowing for force field transferability.

  9. Energy economy in the actomyosin interaction: lessons from simple models.

    Science.gov (United States)

    Lehman, Steven L

    2010-01-01

    The energy economy of the actomyosin interaction in skeletal muscle is both scientifically fascinating and practically important. This chapter demonstrates how simple cross-bridge models have guided research regarding the energy economy of skeletal muscle. Parameter variation on a very simple two-state strain-dependent model shows that early events in the actomyosin interaction strongly influence energy efficiency, and late events determine maximum shortening velocity. Addition of a weakly-bound state preceding force production allows weak coupling of cross-bridge mechanics and ATP turnover, so that a simple three-state model can simulate the velocity-dependence of ATP turnover. Consideration of the limitations of this model leads to a review of recent evidence regarding the relationship between ligand binding states, conformational states, and macromolecular structures of myosin cross-bridges. Investigation of the fine structure of the actomyosin interaction during the working stroke continues to inform fundamental research regarding the energy economy of striated muscle.

  10. Semantic Interaction for Sensemaking: Inferring Analytical Reasoning for Model Steering.

    Science.gov (United States)

    Endert, A; Fiaux, P; North, C

    2012-12-01

    Visual analytic tools aim to support the cognitively demanding task of sensemaking. Their success often depends on the ability to leverage capabilities of mathematical models, visualization, and human intuition through flexible, usable, and expressive interactions. Spatially clustering data is one effective metaphor for users to explore similarity and relationships between information, adjusting the weighting of dimensions or characteristics of the dataset to observe the change in the spatial layout. Semantic interaction is an approach to user interaction in such spatializations that couples these parametric modifications of the clustering model with users' analytic operations on the data (e.g., direct document movement in the spatialization, highlighting text, search, etc.). In this paper, we present results of a user study exploring the ability of semantic interaction in a visual analytic prototype, ForceSPIRE, to support sensemaking. We found that semantic interaction captures the analytical reasoning of the user through keyword weighting, and aids the user in co-creating a spatialization based on the user's reasoning and intuition.

  11. Directed walk models of adsorbing semi-flexible polymers subject to an elongational force

    Energy Technology Data Exchange (ETDEWEB)

    Iliev, G K [Department of Mathematics and Statistics, University of Melbourne, Parkville (Australia); Orlandini, E [Dipartimento di Fisica, CNISM, Universita di Padova, Via Marzolo 8, 35131 Padova (Italy); Whittington, S G [Department of Chemistry, University of Toronto, Toronto (Canada)

    2010-08-06

    We consider several directed path models of semi-flexible polymers. In each model we associate an energy parameter for every pair of adjacent collinear steps, allowing for a model of a polymer with tunable stiffness. We introduce weightings for vertices or edges in a distinguished plane to model the interaction of a semi-flexible polymer with an impenetrable surface. We also investigate the desorption of such a polymer under the influence of an elongational force and study the order of the associated phase transitions. Using a simple low-temperature theory, we approximate and study the ground state behaviour of the models.

  12. Fuel compliance model for pellet-cladding mechanical interaction

    International Nuclear Information System (INIS)

    Shah, V.N.; Carlson, E.R.

    1985-01-01

    This paper describes two aspects of fuel pellet deformation that play significant roles in determining maximum cladding hoop strains during pellet-cladding mechanical interaction: compliance of fragmented fuel pellets and influence of the pellet end-face design on the transmission of axial compressive force in the fuel stack. The latter aspect affects cladding ridge formation and explains several related observations that cannot be explained by the hourglassing model. An empirical model, called the fuel compliance model and representing the above aspects of fuel deformation, has been developed using the results from two Halden experiments and incorporated into the FRAP-T6 fuel performance code

  13. Collapse and coexistence for a molecular braid with an attractive interaction component subject to mechanical forces.

    Science.gov (United States)

    Lee, Dominic J O'

    2015-04-15

    Dual mechanical braiding experiments provide a useful tool with which to investigate the nature of interactions between rod-like molecules, for instance actin and DNA. In conditions close to molecular condensation, one would expect an appearance of a local minimum in the interaction potential between the two molecules. We investigate this situation, introducing an attractive component into the interaction potential, using a model developed for describing such experiments. We consider both attractive interactions that do not depend on molecular structure and those which depend on a DNA-like helix structure. In braiding experiments, an attractive term may lead to certain effects. A local minimum may cause molecules to collapse from a loosely braided configuration into a tight one, occurring at a critical value of the moment applied about the axis of the braid. For a fixed number of braid pitches, this may lead to coexistence between the two braiding states, tight and loose. Coexistence implies certain proportions of the braid are in each state, their relative size depending on the number of braid pitches. This manifests itself as a linear dependence in numerically calculated quantities as functions of the number of braid pitches. Also, in the collapsed state, the braid radius stays roughly constant. Furthermore, if the attractive interaction is helix dependent, the left-right handed braid symmetry is broken. For a DNA like charge distribution, using the Kornyshev-Leikin interaction model, our results suggest that significant braid collapse and coexistence only occurs for left handed braids. Regardless of the interaction model, the study highlights the possible qualitative physics of braid collapse and coexistence; and the role helix specific forces might play, if important. The model could be used to connect other microscopic theories of interaction with braiding experiments.

  14. Collapse and coexistence for a molecular braid with an attractive interaction component subject to mechanical forces

    International Nuclear Information System (INIS)

    Lee, Dominic J

    2015-01-01

    Dual mechanical braiding experiments provide a useful tool with which to investigate the nature of interactions between rod-like molecules, for instance actin and DNA. In conditions close to molecular condensation, one would expect an appearance of a local minimum in the interaction potential between the two molecules. We investigate this situation, introducing an attractive component into the interaction potential, using a model developed for describing such experiments. We consider both attractive interactions that do not depend on molecular structure and those which depend on a DNA-like helix structure. In braiding experiments, an attractive term may lead to certain effects. A local minimum may cause molecules to collapse from a loosely braided configuration into a tight one, occurring at a critical value of the moment applied about the axis of the braid. For a fixed number of braid pitches, this may lead to coexistence between the two braiding states, tight and loose. Coexistence implies certain proportions of the braid are in each state, their relative size depending on the number of braid pitches. This manifests itself as a linear dependence in numerically calculated quantities as functions of the number of braid pitches. Also, in the collapsed state, the braid radius stays roughly constant. Furthermore, if the attractive interaction is helix dependent, the left-right handed braid symmetry is broken. For a DNA like charge distribution, using the Kornyshev–Leikin interaction model, our results suggest that significant braid collapse and coexistence only occurs for left handed braids. Regardless of the interaction model, the study highlights the possible qualitative physics of braid collapse and coexistence; and the role helix specific forces might play, if important. The model could be used to connect other microscopic theories of interaction with braiding experiments. (paper)

  15. Insights into the Interactions of Amino Acids and Peptides with Inorganic Materials Using Single-Molecule Force Spectroscopy.

    Science.gov (United States)

    Das, Priyadip; Duanias-Assaf, Tal; Reches, Meital

    2017-03-06

    The interactions between proteins or peptides and inorganic materials lead to several interesting processes. For example, combining proteins with minerals leads to the formation of composite materials with unique properties. In addition, the undesirable process of biofouling is initiated by the adsorption of biomolecules, mainly proteins, on surfaces. This organic layer is an adhesion layer for bacteria and allows them to interact with the surface. Understanding the fundamental forces that govern the interactions at the organic-inorganic interface is therefore important for many areas of research and could lead to the design of new materials for optical, mechanical and biomedical applications. This paper demonstrates a single-molecule force spectroscopy technique that utilizes an AFM to measure the adhesion force between either peptides or amino acids and well-defined inorganic surfaces. This technique involves a protocol for attaching the biomolecule to the AFM tip through a covalent flexible linker and single-molecule force spectroscopy measurements by atomic force microscope. In addition, an analysis of these measurements is included.

  16. Experimental identification and analytical modelling of human walking forces: Literature review

    Science.gov (United States)

    Racic, V.; Pavic, A.; Brownjohn, J. M. W.

    2009-09-01

    Dynamic forces induced by humans walking change simultaneously in time and space, being random in nature and varying considerably not only between different people but also for a single individual who cannot repeat two identical steps. Since these important aspects of walking forces have not been adequately researched in the past, the corresponding lack of knowledge has reflected badly on the quality of their mathematical models used in vibration assessments of pedestrian structures such as footbridges, staircases and floors. To develop better force models which can be used with more confidence in the structural design, an adequate experimental and analytical approach must be taken to account for their complexity. This paper is the most comprehensive review published to date, of 270 references dealing with different experimental and analytical characterizations of human walking loading. The source of dynamic human-induced forces is in fact in the body motion. To date, human motion has attracted a lot of interest in many scientific branches, particularly in medical and sports science, bioengineering, robotics, and space flight programs. Other fields include biologists of various kinds, physiologists, anthropologists, computer scientists (graphics and animation), human factors and ergonomists, etc. It resulted in technologically advanced tools that can help understanding the human movement in more detail. Therefore, in addition to traditional direct force measurements utilizing a force plate and an instrumented treadmill, this review also introduces methods for indirect measurement of time-varying records of walking forces via combination of visual motion tracking (imaging) data and known body mass distribution. The review is therefore an interdisciplinary article that bridges the gaps between biomechanics of human gait and civil engineering dynamics. Finally, the key reason for undertaking this review is the fact that human-structure dynamic interaction and

  17. Nanoparticle-nanoparticle interactions in biological media by Atomic Force Microscopy

    Science.gov (United States)

    Pyrgiotakis, Georgios; Blattmann, Christoph O.; Pratsinis, Sotiris; Demokritou, Philip

    2015-01-01

    Particle-particle interactions in physiological media are important determinants for nanoparticle fate and transport. Herein, such interactions are assessed by a novel Atomic Force Microscopy (AFM) based platform. Industry-relevant CeO2, Fe2O3, and SiO2 nanoparticles of various diameters were made by the flame spray pyrolysis (FSP) based Harvard Versatile Engineering Nanomaterials Generation System (Harvard VENGES). The nanoparticles were fully characterized structurally and morphologically and their properties in water and biological media were also assessed. The nanoparticles were attached on AFM tips and deposited on Si substrates to measure particle–particle interactions. The corresponding force was measured in air, water and biological media that are widely used in toxicological studies. The presented AFM based approach can be used to assess the agglomeration potential of nanoparticles in physiological fluids. The agglomeration potential of CeO2 nanoparticles in water and RPMI 1640 (Roswell Park Memorial Institute formulation 1640) was inversely proportional to their primary particle (PP) diameter, but for Fe2O3 nanoparticles, that potential is independent of PP diameter in these media. Moreover, in RPMI+10% Fetal Bovine Serum (FBS) the corona thickness and dispersibility of the CeO2 is independent of PP diameter while for Fe2O3, the corona thickness and dispersibility were inversely proportional to PP diameter. The present method can be combined with (dynamic light scattering (DLS), proteomics, and computer simulations to understand the nano-bio interactions, with emphasis on the agglomeration potential of nanoparticles and their transport in physiological media. PMID:23978039

  18. Resistance to moment-normal force interaction of I-shaped steel sections

    NARCIS (Netherlands)

    Rombouts, I.M.J.; Snijder, H.H.; Dekker, R.W.A.; Teeuwen, P.A.

    2016-01-01

    This paper describes the assessment of the EN 1993-1-1 design rules for cross-section resistance to moment-normal force interaction (M-Ninteraction). Besides the fact that the Eurocode design rules showunconservative predictions of the reduced plastic moment capacity for the presence of relatively

  19. Models test on dynamic structure-structure interaction of nuclear power plant buildings

    International Nuclear Information System (INIS)

    Kitada, Y.; Hirotani, T.

    1999-01-01

    A reactor building of an NPP (nuclear power plant) is generally constructed closely adjacent to a turbine building and other buildings such as the auxiliary building, and in increasing numbers of NPPs, multiple plants are being planned and constructed closely on a single site. In these situations, adjacent buildings are considered to influence each other through the soil during earthquakes and to exhibit dynamic behaviour different from that of separate buildings, because those buildings in NPP are generally heavy and massive. The dynamic interaction between buildings during earthquake through the soil is termed here as 'dynamic cross interaction (DCI)'. In order to comprehend DCI appropriately, forced vibration tests and earthquake observation are needed using closely constructed building models. Standing on this background, Nuclear Power Engineering Corporation (NUPEC) had planned the project to investigate the DCI effect in 1993 after the preceding SSI (soil-structure interaction) investigation project, 'model tests on embedment effect of reactor building'. The project consists of field and laboratory tests. The field test is being carried out using three different building construction conditions, e.g. a single reactor building to be used for the comparison purposes as for a reference, two same reactor buildings used to evaluate pure DCI effects, and two different buildings, reactor and turbine building models to evaluate DCI effects under the actual plant conditions. Forced vibration tests and earthquake observations are planned in the field test. The laboratory test is planned to evaluate basic characteristics of the DCI effects using simple soil model made of silicon rubber and structure models made of aluminum. In this test, forced vibration tests and shaking table tests are planned. The project was started in April 1994 and will be completed in March 2002. This paper describes an outline and the summary of the current status of this project. (orig.)

  20. Experimental and numerical modelling of surface water-groundwater flow and pollution interactions under tidal forcing

    Science.gov (United States)

    Spanoudaki, Katerina; Bockelmann-Evans, Bettina; Schaefer, Florian; Kampanis, Nikolaos; Nanou-Giannarou, Aikaterini; Stamou, Anastasios; Falconer, Roger

    2015-04-01

    Surface water and groundwater are integral components of the hydrologic continuum and the interaction between them affects both their quantity and quality. However, surface water and groundwater are often considered as two separate systems and are analysed independently. This separation is partly due to the different time scales, which apply in surface water and groundwater flows and partly due to the difficulties in measuring and modelling their interactions (Winter et al., 1998). Coastal areas in particular are a difficult hydrologic environment to represent with a mathematical model due to the large number of contributing hydrologic processes. Accurate prediction of interactions between coastal waters, groundwater and neighbouring wetlands, for example, requires the use of integrated surface water-groundwater models. In the past few decades a large number of mathematical models and field methods have been developed in order to quantify the interaction between groundwater and hydraulically connected surface water bodies. Field studies may provide the best data (Hughes, 1995) but are usually expensive and involve too many parameters. In addition, the interpretation of field measurements and linking with modelling tools often proves to be difficult. In contrast, experimental studies are less expensive and provide controlled data. However, experimental studies of surface water-groundwater interaction are less frequently encountered in the literature than filed studies (e.g. Ebrahimi et al., 2007; Kuan et al., 2012; Sparks et al., 2013). To this end, an experimental model has been constructed at the Hyder Hydraulics Laboratory at Cardiff University to enable measurements to be made of groundwater transport through a sand embankment between a tidal water body such as an estuary and a non-tidal water body such as a wetland. The transport behaviour of a conservative tracer was studied for a constant water level on the wetland side of the embankment, while running a

  1. Tensor-optimized shell model for the Li isotopes with a bare nucleon-nucleon interaction

    Science.gov (United States)

    Myo, Takayuki; Umeya, Atsushi; Toki, Hiroshi; Ikeda, Kiyomi

    2012-08-01

    We study the Li isotopes systematically in terms of the tensor-optimized shell model (TOSM) by using a bare nucleon-nucleon interaction as the AV8' interaction. The short-range correlation is treated in the unitary correlation operator method (UCOM). Using the TOSM + UCOM approach, we investigate the role of the tensor force on each spectrum of the Li isotopes. It is found that the tensor force produces quite a characteristic effect on various states in each spectrum and those spectra are affected considerably by the tensor force. The energy difference between the spin-orbit partner, the p1/2 and p3/2 orbits of the last neutron, in 5Li is caused by opposite roles of the tensor correlation. In 6Li, the spin-triplet state in the LS coupling configuration is favored energetically by the tensor force in comparison with jj coupling shell-model states. In 7,8,9Li, the low-lying states containing extra neutrons in the p3/2 orbit are favored energetically due to the large tensor contribution to allow the excitation from the 0s, orbit to the p1/2 orbit by the tensor force. Those three nuclei show the jj coupling character in their ground states which is different from 6Li.

  2. Cluster Risk of Walking Scenarios Based on Macroscopic Flow Model and Crowding Force Analysis

    Directory of Open Access Journals (Sweden)

    Xiaohong Li

    2018-02-01

    Full Text Available In recent years, accidents always happen in confined space such as metro stations because of congestion. Various researchers investigated the patterns of dense crowd behaviors in different scenarios via simulations or experiments and proposed methods for avoiding accidents. In this study, a classic continuum macroscopic model was applied to simulate the crowded pedestrian flow in typical scenarios such as at bottlenecks or with an obstacle. The Lax–Wendroff finite difference scheme and artificial viscosity filtering method were used to discretize the model to identify high-density risk areas. Furthermore, we introduced a contact crowding force test of the interactions among pedestrians at bottlenecks. Results revealed that in the most dangerous area, the individual on the corner position bears the maximum pressure in such scenarios is 90.2 N, and there is an approximate exponential relationship between crowding force and density indicated by our data. The results and findings presented in this paper can facilitate more reasonable and precise simulation models by utilizing crowding force and crowd density and ensure the safety of pedestrians in high-density scenarios.

  3. Hadronization of quark-diquark model for nucleon structure and nuclear force by path integral

    International Nuclear Information System (INIS)

    Nagata, Keitaro

    2003-01-01

    One of the central issues of the hadron physics is how to interpret the properties and the origin of nuclear force. Nuclear force is in principle the manifestation of dynamics of quarks and gluons but no trial has been successful yet in describing the nuclear force by using QCD, the fundamental theory of the strong interactions. Phenomenon related to the chiral symmetry and the spontaneous breaking of the chiral symmetry is one of the important phenomena for the understanding of hadron physics. Nambu-Jona-Lasinio (NJL) model is one of the quark system models to explain the phenomena concerning the chiral symmetry. Although the method to deduce the Lagrangian describing mesons by applying the path integral to NJL model has been well known as the bosonization, it has been difficult to extend it to baryons because baryons are three-body system. In this paper, a method is reported to deduce Lagrangian which describes baryon-meson from quark-diquark Lagrangian by assuming that baryons are the bound states of quark and diquark. (S. Funahashi)

  4. NASA/Air Force Cost Model: NAFCOM

    Science.gov (United States)

    Winn, Sharon D.; Hamcher, John W. (Technical Monitor)

    2002-01-01

    The NASA/Air Force Cost Model (NAFCOM) is a parametric estimating tool for space hardware. It is based on historical NASA and Air Force space projects and is primarily used in the very early phases of a development project. NAFCOM can be used at the subsystem or component levels.

  5. The three-dimension model for the rock-breaking mechanism of disc cutter and analysis of rock-breaking forces

    Science.gov (United States)

    Zhang, Zhao-Huang; Sun, Fei

    2012-06-01

    To study the rock deformation with three-dimensional model under rolling forces of disc cutter, by carrying out the circular-grooving test with disc cutter rolling around on the rock, the rock mechanical behavior under rolling disc cutter is studied, the mechanical model of disc cutter rolling around the groove is established, and the theory of single-point and double-angle variables is proposed. Based on this theory, the physics equations and geometric equations of rock mechanical behavior under disc cutters of tunnel boring machine (TBM) are studied, and then the balance equations of interactive forces between disc cutter and rock are established. Accordingly, formulas about normal force, rolling force and side force of a disc cutter are derived, and their validity is studied by tests. Therefore, a new method and theory is proposed to study rock-breaking mechanism of disc cutters.

  6. Vibrotactile Compliance Feedback for Tangential Force Interaction.

    Science.gov (United States)

    Heo, Seongkook; Lee, Geehyuk

    2017-01-01

    This paper presents a method to generate a haptic illusion of compliance using a vibrotactile actuator when a tangential force is applied to a rigid surface. The novel method builds on a conceptual compliance model where a physical object moves on a textured surface in response to a tangential force. The method plays vibration patterns simulating friction-induced vibrations as an applied tangential force changes. We built a prototype consisting of a two-dimensional tangential force sensor and a surface transducer to test the effectiveness of the model. Participants in user experiments with the prototype perceived the rigid surface of the prototype as a moving, rubber-like plate. The main findings of the experiments are: 1) the perceived stiffness of a simulated material can be controlled by controlling the force-playback transfer function, 2) its perceptual properties such as softness and pleasantness can be controlled by changing friction grain parameters, and 3) the use of the vibrotactile compliance feedback reduces participants' workload including physical demand and frustration while performing a force repetition task.

  7. Automated force volume image processing for biological samples.

    Directory of Open Access Journals (Sweden)

    Pavel Polyakov

    2011-04-01

    Full Text Available Atomic force microscopy (AFM has now become a powerful technique for investigating on a molecular level, surface forces, nanomechanical properties of deformable particles, biomolecular interactions, kinetics, and dynamic processes. This paper specifically focuses on the analysis of AFM force curves collected on biological systems, in particular, bacteria. The goal is to provide fully automated tools to achieve theoretical interpretation of force curves on the basis of adequate, available physical models. In this respect, we propose two algorithms, one for the processing of approach force curves and another for the quantitative analysis of retraction force curves. In the former, electrostatic interactions prior to contact between AFM probe and bacterium are accounted for and mechanical interactions operating after contact are described in terms of Hertz-Hooke formalism. Retraction force curves are analyzed on the basis of the Freely Jointed Chain model. For both algorithms, the quantitative reconstruction of force curves is based on the robust detection of critical points (jumps, changes of slope or changes of curvature which mark the transitions between the various relevant interactions taking place between the AFM tip and the studied sample during approach and retraction. Once the key regions of separation distance and indentation are detected, the physical parameters describing the relevant interactions operating in these regions are extracted making use of regression procedure for fitting experiments to theory. The flexibility, accuracy and strength of the algorithms are illustrated with the processing of two force-volume images, which collect a large set of approach and retraction curves measured on a single biological surface. For each force-volume image, several maps are generated, representing the spatial distribution of the searched physical parameters as estimated for each pixel of the force-volume image.

  8. The self-consistent field model for Fermi systems with account of three-body interactions

    Directory of Open Access Journals (Sweden)

    Yu.M. Poluektov

    2015-12-01

    Full Text Available On the basis of a microscopic model of self-consistent field, the thermodynamics of the many-particle Fermi system at finite temperatures with account of three-body interactions is built and the quasiparticle equations of motion are obtained. It is shown that the delta-like three-body interaction gives no contribution into the self-consistent field, and the description of three-body forces requires their nonlocality to be taken into account. The spatially uniform system is considered in detail, and on the basis of the developed microscopic approach general formulas are derived for the fermion's effective mass and the system's equation of state with account of contribution from three-body forces. The effective mass and pressure are numerically calculated for the potential of "semi-transparent sphere" type at zero temperature. Expansions of the effective mass and pressure in powers of density are obtained. It is shown that, with account of only pair forces, the interaction of repulsive character reduces the quasiparticle effective mass relative to the mass of a free particle, and the attractive interaction raises the effective mass. The question of thermodynamic stability of the Fermi system is considered and the three-body repulsive interaction is shown to extend the region of stability of the system with the interparticle pair attraction. The quasiparticle energy spectrum is calculated with account of three-body forces.

  9. Nucleon-nucleon interaction and the quark model

    International Nuclear Information System (INIS)

    Faessler, A.

    1985-01-01

    The NN phase shifts are calculated using the quark model with a QCD inspired quark-quark force. The short range part of the NN force is given by quark and gluon exchange. The long range part is described by π and σ-meson exchange. The data fitted in the model are five values connected with three quarks only: the nucleon mass, the Δ mass, the root mean square radius of the charge distribution of the proton including the pion cloud, the π-N and the σ-N coupling constant at zero momentum transfer. The 1 S and 3 S phase shifts are nicely reproduced. The short range repulsion is decisively influenced by the node in the [42] r relative wave function. Very important is the colour magnetic quark-quark force which enlarges the [42] r admixture. In the OBEP's the short range repulsion is connected with the exchange of the ω-meson. But to reproduce the short range repulsion one had to blow up the ω-N coupling constant by a factor 2 to 3 compared to flavour SU 3 . With quark and gluon exchange the best fit to the ω-N coupling constant lies close to the SU 3 flavour value. This fact strongly supports the notion that the real nature of the short range repulsion of the NN interaction have been found

  10. KN phase shifts in a model with a spin-orbit interaction

    International Nuclear Information System (INIS)

    Lemaire, S.; Labarsouque, J.; Silvestre-Brac, B.

    2001-01-01

    The I=1 and I=0 kaon-nucleon s, p, d, f, g-waves phase shifts have been calculated in a non relativistic quark potential model using the resonating group method (RGM). The interquark potential includes gluon exchanges with a spin-orbit interaction. This force was determined to reproduce as well as possible the meson and baryon spectra. The same force is employed for the cluster and intercluster dynamics and the relative KN wave function is calculated without any approximation. While some channels are correctly described, the theory is still unable to explain others

  11. Perspectives on continuum flow models for force-driven nano-channel liquid flows

    Science.gov (United States)

    Beskok, Ali; Ghorbanian, Jafar; Celebi, Alper

    2017-11-01

    A phenomenological continuum model is developed using systematic molecular dynamics (MD) simulations of force-driven liquid argon flows confined in gold nano-channels at a fixed thermodynamic state. Well known density layering near the walls leads to the definition of an effective channel height and a density deficit parameter. While the former defines the slip-plane, the latter parameter relates channel averaged density with the desired thermodynamic state value. Definitions of these new parameters require a single MD simulation performed for a specific liquid-solid pair at the desired thermodynamic state and used for calibration of model parameters. Combined with our observations of constant slip-length and kinematic viscosity, the model accurately predicts the velocity distribution and volumetric and mass flow rates for force-driven liquid flows in different height nano-channels. Model is verified for liquid argon flow at distinct thermodynamic states and using various argon-gold interaction strengths. Further verification is performed for water flow in silica and gold nano-channels, exhibiting slip lengths of 1.2 nm and 15.5 nm, respectively. Excellent agreements between the model and the MD simulations are reported for channel heights as small as 3 nm for various liquid-solid pairs.

  12. Modeling molecular boiling points using computed interaction energies.

    Science.gov (United States)

    Peterangelo, Stephen C; Seybold, Paul G

    2017-12-20

    The noncovalent van der Waals interactions between molecules in liquids are typically described in textbooks as occurring between the total molecular dipoles (permanent, induced, or transient) of the molecules. This notion was tested by examining the boiling points of 67 halogenated hydrocarbon liquids using quantum chemically calculated molecular dipole moments, ionization potentials, and polarizabilities obtained from semi-empirical (AM1 and PM3) and ab initio Hartree-Fock [HF 6-31G(d), HF 6-311G(d,p)], and density functional theory [B3LYP/6-311G(d,p)] methods. The calculated interaction energies and an empirical measure of hydrogen bonding were employed to model the boiling points of the halocarbons. It was found that only terms related to London dispersion energies and hydrogen bonding proved significant in the regression analyses, and the performances of the models generally improved at higher levels of quantum chemical computation. An empirical estimate for the molecular polarizabilities was also tested, and the best models for the boiling points were obtained using either this empirical polarizability itself or the polarizabilities calculated at the B3LYP/6-311G(d,p) level, along with the hydrogen-bonding parameter. The results suggest that the cohesive forces are more appropriately described as resulting from highly localized interactions rather than interactions between the global molecular dipoles.

  13. Probing the interaction of ferrocene containing hyperbranched poly-ester with model plasma protein: Effect on the interaction mechanism and conformational change

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, Fengjuan, E-mail: xfj66@126.com; Gu, Muqing; Liang, Ye; Li, Lanlan; Yu, Xiaolei; Wu, Xiangfeng

    2014-05-01

    Interaction mechanism and conformational change of model plasma protein-bovine serum albumin (BSA) induced by ferrocenyl-functionalized hyperbranched polyester (HBPE-Fc) were investigated using cyclicvoltammetry (CV), differential pulsed voltammetry (DPV), fluorescence, UV–vis absorption spectrometry and circular dichroism (CD). Some complicated interactions occurred between BSA and HBPE-Fc and the new redox centers appeared in the BSA/HBPE-Fc complex that changed and hindered the electron transfer of Fe/Fe{sup 2+}. Fluorescence quenching data showed that the fluorescence of BSA was statically quenched by HBPE-Fc, which implied that ground state complex formed between BSA and HBPE-Fc. van der Waals force and hydrogen bond played major roles in the interaction of HBPE-Fc with BSA. The binding constant Ka for HBPE-Fc–protein interaction is in the order of 10{sup 6} at room temperature indicates that there is a strong interaction between HBPE-Fc and BSA. Synchronous, three-dimensional fluorescence and CD studies indicated that the interaction of BSA with HBPE-Fc induced conformational changes in BSA with overall decrease in the α-helical structure and increase in β-pleated sheet structure. The molecular model of the interaction between HBPE-Fc and BSA was also presented according to the results in this study. - Highlights: • A novel ferrocenyl-functionalized hyperbranched polymer (HBPE-Fc) with potential anticancer effects. • New redox centers appear in the BSA/HBPE-Fc complex that changed and hindered the electron transfer of Fe/Fe{sup 2+}. • BSA fluorescence was statically quenched by HBPE-Fc. • BSA/HBPE-Fc ground state complex was mainly formed by the hydrogen bonds and van der Waals force. • HBPE-Fc induced conformational changes in BSA with overall decrease in the α-helical structure and increase in β-pleated sheet structure. • The molecular model of the interaction was presented according to the results in this study.

  14. Particle force model effects in a shock-driven multiphase instability

    Science.gov (United States)

    Black, W. J.; Denissen, N.; McFarland, J. A.

    2018-05-01

    This work presents simulations on a shock-driven multiphase instability (SDMI) at an initial particle volume fraction of 1% with the addition of a suite of particle force models applicable in dense flows. These models include pressure-gradient, added-mass, and interparticle force terms in an effort to capture the effects neighboring particles have in non-dilute flow regimes. Two studies are presented here: the first seeks to investigate the individual contributions of the force models, while the second study focuses on examining the effect of these force models on the hydrodynamic evolution of a SDMI with various particle relaxation times (particle sizes). In the force study, it was found that the pressure gradient and interparticle forces have little effect on the instability under the conditions examined, while the added-mass force decreases the vorticity deposition and alters the morphology of the instability. The relaxation-time study likewise showed a decrease in metrics associated with the evolution of the SDMI for all sizes when the particle force models were included. The inclusion of these models showed significant morphological differences in both the particle and carrier species fields, which increased as particle relaxation times increased.

  15. Shoe-Floor Interactions in Human Walking With Slips: Modeling and Experiments.

    Science.gov (United States)

    Trkov, Mitja; Yi, Jingang; Liu, Tao; Li, Kang

    2018-03-01

    Shoe-floor interactions play a crucial role in determining the possibility of potential slip and fall during human walking. Biomechanical and tribological parameters influence the friction characteristics between the shoe sole and the floor and the existing work mainly focus on experimental studies. In this paper, we present modeling, analysis, and experiments to understand slip and force distributions between the shoe sole and floor surface during human walking. We present results for both soft and hard sole material. The computational approaches for slip and friction force distributions are presented using a spring-beam networks model. The model predictions match the experimentally observed sole deformations with large soft sole deformation at the beginning and the end stages of the stance, which indicates the increased risk for slip. The experiments confirm that both the previously reported required coefficient of friction (RCOF) and the deformation measurements in this study can be used to predict slip occurrence. Moreover, the deformation and force distribution results reported in this study provide further understanding and knowledge of slip initiation and termination under various biomechanical conditions.

  16. Molecular Model of a Quantum Dot Beyond the Constant Interaction Approximation

    Science.gov (United States)

    Temirov, Ruslan; Green, Matthew F. B.; Friedrich, Niklas; Leinen, Philipp; Esat, Taner; Chmielniak, Pawel; Sarwar, Sidra; Rawson, Jeff; Kögerler, Paul; Wagner, Christian; Rohlfing, Michael; Tautz, F. Stefan

    2018-05-01

    We present a physically intuitive model of molecular quantum dots beyond the constant interaction approximation. It accurately describes their charging behavior and allows the extraction of important molecular properties that are otherwise experimentally inaccessible. The model is applied to data recorded with a noncontact atomic force microscope on three different molecules that act as a quantum dot when attached to the microscope tip. The results are in excellent agreement with first-principles simulations.

  17. Contact angles in thin liquid films III. Interaction forces in Newton black soap films

    NARCIS (Netherlands)

    Feijter, J.A. de; Vrij, A.

    The interaction parameters of Newton black soap films stabilized by NaDS, as derived from contact angle experiments, have been interpretated in terms of the structure and the interaction forces in the films. From the film thickness and the difference between the surface excess of the salt in the

  18. Students' Understanding on Newton's Third Law in Identifying the Reaction Force in Gravity Interactions

    Science.gov (United States)

    Zhou, Shaona; Zhang, Chunbin; Xiao, Hua

    2015-01-01

    In the past three decades, previous researches showed that students had various misconceptions of Newton's Third Law. The present study focused on students' difficulties in identifying the third-law force pair in gravity interaction situations. An instrument involving contexts with gravity and non-gravity associated interactions was designed and…

  19. Parabolized Stability Equations analysis of nonlinear interactions with forced eigenmodes to control subsonic jet instabilities

    International Nuclear Information System (INIS)

    Itasse, Maxime; Brazier, Jean-Philippe; Léon, Olivier; Casalis, Grégoire

    2015-01-01

    Nonlinear evolution of disturbances in an axisymmetric, high subsonic, high Reynolds number hot jet with forced eigenmodes is studied using the Parabolized Stability Equations (PSE) approach to understand how modes interact with one another. Both frequency and azimuthal harmonic interactions are analyzed by setting up one or two modes at higher initial amplitudes and various phases. While single mode excitation leads to harmonic growth and jet noise amplification, controlling the evolution of a specific mode has been made possible by forcing two modes (m 1 , n 1 ), (m 2 , n 2 ), such that the difference in azimuth and in frequency matches the desired “target” mode (m 1 − m 2 , n 1 − n 2 ). A careful setup of the initial amplitudes and phases of the forced modes, defined as the “killer” modes, has allowed the minimizing of the initially dominant instability in the near pressure field, as well as its estimated radiated noise with a 15 dB loss. Although an increase of the overall sound pressure has been found in the range of azimuth and frequency analyzed, the present paper reveals the possibility to make the initially dominant instability ineffective acoustically using nonlinear interactions with forced eigenmodes

  20. Parabolized Stability Equations analysis of nonlinear interactions with forced eigenmodes to control subsonic jet instabilities

    Energy Technology Data Exchange (ETDEWEB)

    Itasse, Maxime, E-mail: Maxime.Itasse@onera.fr; Brazier, Jean-Philippe, E-mail: Jean-Philippe.Brazier@onera.fr; Léon, Olivier, E-mail: Olivier.Leon@onera.fr; Casalis, Grégoire, E-mail: Gregoire.Casalis@onera.fr [Onera - The French Aerospace Lab, F-31055 Toulouse (France)

    2015-08-15

    Nonlinear evolution of disturbances in an axisymmetric, high subsonic, high Reynolds number hot jet with forced eigenmodes is studied using the Parabolized Stability Equations (PSE) approach to understand how modes interact with one another. Both frequency and azimuthal harmonic interactions are analyzed by setting up one or two modes at higher initial amplitudes and various phases. While single mode excitation leads to harmonic growth and jet noise amplification, controlling the evolution of a specific mode has been made possible by forcing two modes (m{sub 1}, n{sub 1}), (m{sub 2}, n{sub 2}), such that the difference in azimuth and in frequency matches the desired “target” mode (m{sub 1} − m{sub 2}, n{sub 1} − n{sub 2}). A careful setup of the initial amplitudes and phases of the forced modes, defined as the “killer” modes, has allowed the minimizing of the initially dominant instability in the near pressure field, as well as its estimated radiated noise with a 15 dB loss. Although an increase of the overall sound pressure has been found in the range of azimuth and frequency analyzed, the present paper reveals the possibility to make the initially dominant instability ineffective acoustically using nonlinear interactions with forced eigenmodes.

  1. Finite element modeling of nonlinear piezoelectric energy harvesters with magnetic interaction

    International Nuclear Information System (INIS)

    Upadrashta, Deepesh; Yang, Yaowen

    2015-01-01

    Piezoelectric energy harvesting from ambient vibrations is a potential technology for powering wireless sensors and low power electronic devices. The conventional linear harvesters suffer from narrow operational bandwidth. Many attempts have been made especially using the magnetic interaction to broaden the bandwidth of harvesters. The finite element (FE) modeling has been used only for analyzing the linear harvesters in the literature. The main difficulties in extending the FE modeling to analyze the nonlinear harvesters involving magnetic interaction are developing the mesh needed for magnetic interaction in dynamic problems and the high demand on computational resource needed for solving the coupled electrical–mechanical–magnetic problem. In this paper, an innovative method is proposed to model the magnetic interaction without inclusion of the magnetic module. The magnetic force is modeled using the nonlinear spring element available in ANSYS finite element analysis (FEA) package, thus simplifying the simulation of nonlinear piezoelectric energy harvesters as an electromechanically coupled problem. Firstly, an FE model of a monostable nonlinear harvester with cantilever configuration is developed and the results are validated with predictions from the theoretical model. Later, the proposed technique of FE modeling is extended to a complex 2-degree of freedom nonlinear energy harvester for which an accurate analytical model is difficult to derive. The performance predictions from FEA are compared with the experimental results. It is concluded that the proposed modeling technique is able to accurately analyze the behavior of nonlinear harvesters with magnetic interaction. (paper)

  2. ISAC - A tool for aeroservoelastic modeling and analysis. [Interaction of Structures, Aerodynamics, and Control

    Science.gov (United States)

    Adams, William M., Jr.; Hoadley, Sherwood T.

    1993-01-01

    This paper discusses the capabilities of the Interaction of Structures, Aerodynamics, and Controls (ISAC) system of program modules. The major modeling, analysis, and data management components of ISAC are identified. Equations of motion are displayed for a Laplace-domain representation of the unsteady aerodynamic forces. Options for approximating a frequency-domain representation of unsteady aerodynamic forces with rational functions of the Laplace variable are shown. Linear time invariant state-space equations of motion that result are discussed. Model generation and analyses of stability and dynamic response characteristics are shown for an aeroelastic vehicle which illustrate some of the capabilities of ISAC as a modeling and analysis tool for aeroelastic applications.

  3. Force modeling for incisions into various tissues with MRF haptic master

    Science.gov (United States)

    Kim, Pyunghwa; Kim, Soomin; Park, Young-Dai; Choi, Seung-Bok

    2016-03-01

    This study proposes a new model to predict the reaction force that occurs in incisions during robot-assisted minimally invasive surgery. The reaction force is fed back to the manipulator by a magneto-rheological fluid (MRF) haptic master, which is featured by a bi-directional clutch actuator. The reaction force feedback provides similar sensations to laparotomy that cannot be provided by a conventional master for surgery. This advantage shortens the training period for robot-assisted minimally invasive surgery and can improve the accuracy of operations. The reaction force modeling of incisions can be utilized in a surgical simulator that provides a virtual reaction force. In this work, in order to model the reaction force during incisions, the energy aspect of the incision process is adopted and analyzed. Each mode of the incision process is classified by the tendency of the energy change, and modeled for realistic real-time application. The reaction force model uses actual reaction force information with three types of actual tissues: hard tissue, medium tissue, and soft tissue. This modeled force is realized by the MRF haptic master through an algorithm based on the position and velocity of a scalpel using two different control methods: an open-loop algorithm and a closed-loop algorithm. The reaction forces obtained from the proposed model are compared with a desired force in time domain.

  4. Force modeling for incisions into various tissues with MRF haptic master

    International Nuclear Information System (INIS)

    Kim, Pyunghwa; Kim, Soomin; Park, Young-Dai; Choi, Seung-Bok

    2016-01-01

    This study proposes a new model to predict the reaction force that occurs in incisions during robot-assisted minimally invasive surgery. The reaction force is fed back to the manipulator by a magneto-rheological fluid (MRF) haptic master, which is featured by a bi-directional clutch actuator. The reaction force feedback provides similar sensations to laparotomy that cannot be provided by a conventional master for surgery. This advantage shortens the training period for robot-assisted minimally invasive surgery and can improve the accuracy of operations. The reaction force modeling of incisions can be utilized in a surgical simulator that provides a virtual reaction force. In this work, in order to model the reaction force during incisions, the energy aspect of the incision process is adopted and analyzed. Each mode of the incision process is classified by the tendency of the energy change, and modeled for realistic real-time application. The reaction force model uses actual reaction force information with three types of actual tissues: hard tissue, medium tissue, and soft tissue. This modeled force is realized by the MRF haptic master through an algorithm based on the position and velocity of a scalpel using two different control methods: an open-loop algorithm and a closed-loop algorithm. The reaction forces obtained from the proposed model are compared with a desired force in time domain. (paper)

  5. DelPhiForce web server: electrostatic forces and energy calculations and visualization.

    Science.gov (United States)

    Li, Lin; Jia, Zhe; Peng, Yunhui; Chakravorty, Arghya; Sun, Lexuan; Alexov, Emil

    2017-11-15

    Electrostatic force is an essential component of the total force acting between atoms and macromolecules. Therefore, accurate calculations of electrostatic forces are crucial for revealing the mechanisms of many biological processes. We developed a DelPhiForce web server to calculate and visualize the electrostatic forces at molecular level. DelPhiForce web server enables modeling of electrostatic forces on individual atoms, residues, domains and molecules, and generates an output that can be visualized by VMD software. Here we demonstrate the usage of the server for various biological problems including protein-cofactor, domain-domain, protein-protein, protein-DNA and protein-RNA interactions. The DelPhiForce web server is available at: http://compbio.clemson.edu/delphi-force. delphi@clemson.edu. Supplementary data are available at Bioinformatics online. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com

  6. An inverse method for determining the interaction force between the probe and sample using scanning near-field optical microscopy

    International Nuclear Information System (INIS)

    Chang, Win-Jin; Fang, Te-Hua

    2006-01-01

    This study proposes a means for calculating the interaction force during the scanning process using a scanning near-field optical microscope (SNOM) probe. The determination of the interaction force in the scanning system is regarded as an inverse vibration problem. The conjugate gradient method is applied to treat the inverse problem using available displacement measurements. The results show that the conjugate gradient method is less sensitive to measurement errors and prior information on the functional form of quality was not required. Furthermore, the initial guesses for the interaction force can be arbitrarily chosen for the iteration process

  7. Molecular modeling of interactions in electronic nose sensors for environmental monitoring

    Science.gov (United States)

    Shevade, A. V.; Ryan, M. A.; Homer, M. L.; Manfreda, A. M.; Yen, S. -P. S.; Zhou, H.; Manatt, K.

    2002-01-01

    We report a study aimed at understanding analyte interactions with sensors made from polymer-carbon black composite films. The sensors are used in an Electronic Nose (ENose) which is used for monitoring the breathing air quality in human habitats. The model mimics the experimental conditions of the composite film deposition and formation and was developed using molecular modeling and simulation tools. The Dreiding 2.21 Force Field was used for the polymer and analyte molecules while graphite parameters were assigned to the carbon black atoms. The polymer considered for this work is methyl vinyl ether / maleic acid copolymer. The target analytes include both inorganic (NH3) and organic (methanol) types of compound. Results indicate different composite-analyte interaction behavior.

  8. Forces between permanent magnets: experiments and model

    International Nuclear Information System (INIS)

    González, Manuel I

    2017-01-01

    This work describes a very simple, low-cost experimental setup designed for measuring the force between permanent magnets. The experiment consists of placing one of the magnets on a balance, attaching the other magnet to a vertical height gauge, aligning carefully both magnets and measuring the load on the balance as a function of the gauge reading. A theoretical model is proposed to compute the force, assuming uniform magnetisation and based on laws and techniques accessible to undergraduate students. A comparison between the model and the experimental results is made, and good agreement is found at all distances investigated. In particular, it is also found that the force behaves as r −4 at large distances, as expected. (paper)

  9. Inference of a Nonlinear Stochastic Model of the Cardiorespiratory Interaction

    Science.gov (United States)

    Smelyanskiy, V. N.; Luchinsky, D. G.; Stefanovska, A.; McClintock, P. V.

    2005-03-01

    We reconstruct a nonlinear stochastic model of the cardiorespiratory interaction in terms of a set of polynomial basis functions representing the nonlinear force governing system oscillations. The strength and direction of coupling and noise intensity are simultaneously inferred from a univariate blood pressure signal. Our new inference technique does not require extensive global optimization, and it is applicable to a wide range of complex dynamical systems subject to noise.

  10. Aerosol-cloud interactions in a multi-scale modeling framework

    Science.gov (United States)

    Lin, G.; Ghan, S. J.

    2017-12-01

    Atmospheric aerosols play an important role in changing the Earth's climate through scattering/absorbing solar and terrestrial radiation and interacting with clouds. However, quantification of the aerosol effects remains one of the most uncertain aspects of current and future climate projection. Much of the uncertainty results from the multi-scale nature of aerosol-cloud interactions, which is very challenging to represent in traditional global climate models (GCMs). In contrast, the multi-scale modeling framework (MMF) provides a viable solution, which explicitly resolves the cloud/precipitation in the cloud resolved model (CRM) embedded in the GCM grid column. In the MMF version of community atmospheric model version 5 (CAM5), aerosol processes are treated with a parameterization, called the Explicit Clouds Parameterized Pollutants (ECPP). It uses the cloud/precipitation statistics derived from the CRM to treat the cloud processing of aerosols on the GCM grid. However, this treatment treats clouds on the CRM grid but aerosols on the GCM grid, which is inconsistent with the reality that cloud-aerosol interactions occur on the cloud scale. To overcome the limitation, here, we propose a new aerosol treatment in the MMF: Explicit Clouds Explicit Aerosols (ECEP), in which we resolve both clouds and aerosols explicitly on the CRM grid. We first applied the MMF with ECPP to the Accelerated Climate Modeling for Energy (ACME) model to have an MMF version of ACME. Further, we also developed an alternative version of ACME-MMF with ECEP. Based on these two models, we have conducted two simulations: one with the ECPP and the other with ECEP. Preliminary results showed that the ECEP simulations tend to predict higher aerosol concentrations than ECPP simulations, because of the more efficient vertical transport from the surface to the higher atmosphere but the less efficient wet removal. We also found that the cloud droplet number concentrations are also different between the

  11. Cutting force model for high speed machining process

    International Nuclear Information System (INIS)

    Haber, R. E.; Jimenez, J. E.; Jimenez, A.; Lopez-Coronado, J.

    2004-01-01

    This paper presents cutting force-based models able to describe a high speed machining process. The model considers the cutting force as output variable, essential for the physical processes that are taking place in high speed machining. Moreover, this paper shows the mathematical development to derive the integral-differential equations, and the algorithms implemented in MATLAB to predict the cutting force in real time MATLAB is a software tool for doing numerical computations with matrices and vectors. It can also display information graphically and includes many toolboxes for several research and applications areas. Two end mill shapes are considered (i. e. cylindrical and ball end mill) for real-time implementation of the developed algorithms. the developed models are validated in slot milling operations. The results corroborate the importance of the cutting force variable for predicting tool wear in high speed machining operations. The developed models are the starting point for future work related with vibration analysis, process stability and dimensional surface finish in high speed machining processes. (Author) 19 refs

  12. Compliant actuation based on dielectric elastomers for a force-feedback device: modeling and experimental evaluation

    Directory of Open Access Journals (Sweden)

    R. Vertechy

    2013-01-01

    Full Text Available Thanks to their large power densities, low costs and shock-insensitivity, Dielectric Elastomers (DE seem to be a promising technology for the implementation of light and compact force-feedback devices such as, for instance, haptic interfaces. Nonetheless, the development of these kinds of DE-based systems is not trivial owing to the relevant dissipative phenomena that affect the DE when subjected to rapidly changing deformations. In this context, the present paper addresses the development of a force feedback controller for an agonist-antagonist linear actuator composed of a couple of conically-shaped DE films and a compliant mechanism behaving as a negative-rate bias spring. The actuator is firstly modeled accounting for the visco-hyperelastic nature of the DE material. The model is then linearized and employed for the design of a force controller. The controller employs a position sensor, which determines the actuator configuration, and a force sensor, which measures the interaction force that the actuator exchanges with the environment. In addition, an optimum full-state observer is also implemented, which enables both accurate estimation of the time-dependent behavior of the elastomeric material and adequate suppression of the sensor measurement noise. Preliminary experimental results are provided to validate the proposed actuator-controller architecture.

  13. Uncertainties in forces extracted from non-contact atomic force microscopy measurements by fitting of long-range background forces

    Directory of Open Access Journals (Sweden)

    Adam Sweetman

    2014-04-01

    Full Text Available In principle, non-contact atomic force microscopy (NC-AFM now readily allows for the measurement of forces with sub-nanonewton precision on the atomic scale. In practice, however, the extraction of the often desired ‘short-range’ force from the experimental observable (frequency shift is often far from trivial. In most cases there is a significant contribution to the total tip–sample force due to non-site-specific van der Waals and electrostatic forces. Typically, the contribution from these forces must be removed before the results of the experiment can be successfully interpreted, often by comparison to density functional theory calculations. In this paper we compare the ‘on-minus-off’ method for extracting site-specific forces to a commonly used extrapolation method modelling the long-range forces using a simple power law. By examining the behaviour of the fitting method in the case of two radically different interaction potentials we show that significant uncertainties in the final extracted forces may result from use of the extrapolation method.

  14. Screening fifth forces in k-essence and DBI models

    Energy Technology Data Exchange (ETDEWEB)

    Brax, Philippe [Institut de Physique Théorique, CEA, IPhT, CNRS, URA2306, F-91191 Gif-sur-Yvette cédex (France); Burrage, Clare [School of Physics and Astronomy, University of Nottingham, Nottingham NG7 2RD (United Kingdom); Davis, Anne-Christine, E-mail: Philippe.Brax@cea.fr, E-mail: Clare.Burrage@nottingham.ac.uk, E-mail: A.C.Davis@damtp.cam.ac.uk [Department of Applied Mathematics and Theoretical Physics, Centre for Mathematical Sciences, Cambridge CB3 0WA (United Kingdom)

    2013-01-01

    New fifth forces have not yet been detected in the laboratory or in the solar system, hence it is typically difficult to introduce new light scalar fields that would mediate such forces. In recent years it has been shown that a number of non-linear scalar field theories allow for a dynamical mechanism, such as the Vainshtein and chameleon ones, that suppresses the strength of the scalar fifth force in experimental environments. This is known as screening, however it is unclear how common screening is within non-linear scalar field theories. k-essence models are commonly studied examples of non-linear models, with DBI as the best motivated example, and so we ask whether these non-linearities are able to screen a scalar fifth force. We find that a Vainshtein-like screening mechanism exists for such models although with limited applicability. For instance, we cannot find a screening mechanism for DBI models. On the other hand, we construct a large class of k-essence models which lead to the acceleration of the Universe in the recent past for which the fifth force mediated by the scalar can be screened.

  15. Interaction potential and repulsive force between atoms whose internuclear separations are small

    International Nuclear Information System (INIS)

    Barbaro, Jacques

    1971-01-01

    The Thomas-Fermi equation is solved for the homonuclear diatomic molecule. The electronic density and electrostatic potential at each point are used to calculate energies and interaction potentials for very small internuclear separation distances. The repulsive force between atoms is derived by means of the virial theorem. (author) [fr

  16. Entropic elasticity in the generation of muscle Force - A theoretical model

    DEFF Research Database (Denmark)

    Nielsen, Bjørn Gilbert

    2002-01-01

    A novel simplified structural model of sarcomeric force production in striate muscle is presented. Using some simple assumptions regarding the distribution of myosin spring lengths at different sliding velocities it is possible to derive a very simple expression showing the main components...... of the experimentally observed force-velocity relationship of muscle: nonlinearity during contraction (Hill, 1938), maximal force production during stretching equal to two times the isometric force (Katz, 1939), yielding at high stretching velocity, slightly concave force-extension relationship during sudden length......-bridges are explored [linear, power function and worm-like chain (WLC) model based], and it is shown that the best results are obtained if the individual myosin-spring forces are modelled using a WLC model, thus hinting that entropic elasticity could be the main source of force in myosin undergoing the conformational...

  17. Mathematical modelling and numerical simulation of forces in milling process

    Science.gov (United States)

    Turai, Bhanu Murthy; Satish, Cherukuvada; Prakash Marimuthu, K.

    2018-04-01

    Machining of the material by milling induces forces, which act on the work piece material, tool and which in turn act on the machining tool. The forces involved in milling process can be quantified, mathematical models help to predict these forces. A lot of research has been carried out in this area in the past few decades. The current research aims at developing a mathematical model to predict forces at different levels which arise machining of Aluminium6061 alloy. Finite element analysis was used to develop a FE model to predict the cutting forces. Simulation was done for varying cutting conditions. Different experiments was designed using Taguchi method. A L9 orthogonal array was designed and the output was measure for the different experiments. The same was used to develop the mathematical model.

  18. Nonlinear Dynamics of Carbon Nanotubes Under Large Electrostatic Force

    KAUST Repository

    Xu, Tiantian; Younis, Mohammad I.

    2015-01-01

    Because of the inherent nonlinearities involving the behavior of CNTs when excited by electrostatic forces, modeling and simulating their behavior is challenging. The complicated form of the electrostatic force describing the interaction

  19. Simulation of a force on force exercise

    International Nuclear Information System (INIS)

    Terhune, R.; Van Slyke, D.; Sheppard, T.; Brandrup, M.

    1988-01-01

    The Security Exercise Evaluation System (SEES) is under development for use in planning Force on Force exercises and as an aid in post-exercise evaluation. This study is part of the development cycle where the simulation results are compared to field data to provide guidance for further development of the model. SEES is an event-driven stochastic computer program simulating individual movement and combat within an urban terrain environment. The simulator models the physics of movement, line of sight, and weapon effects. It relies on the controllers to provide all knowledge of security tactics, which are entered by the controllers during the simulation using interactive color graphic workstations. They are able to develop, modify and implement plans promptly as the simulator maintains real time. This paper reports on how SEES will be used to develop an intrusion plan, test the security response tactics and develop observer logistics. A Force on Force field exercise will then be executed to follow the plan with observations recorded. An analysis is made by first comparing the plan and events of the simulation with the field exercise, modifying the simulation plan to match the actual field exercise, and then running the simulation to develop a distribution of possible outcomes

  20. Higher order terms of the nonlinear forces in plasmas with collisions at laser interaction

    International Nuclear Information System (INIS)

    Kentwell, G.W.; Hora, H.

    1980-01-01

    The evaluation of the general expression of the nonlinear force of laser-plasma interaction showed discrepancies depending on the assumptions of the phase and collisions in the expressions used for E and H. While the first order terms of the derivations are remaining unchanged, new third order terms are found for the case of perpendicular incidence without collisions. With collisions, the additional non-pondermotive terms are derived to be more general than known before. It is then possible to evaluate the forces for oblique incidence with collisions and find an absorption caused force in the plane of the plasma surface. (author)

  1. A Vision-Based Approach for Estimating Contact Forces: Applications to Robot-Assisted Surgery

    Directory of Open Access Journals (Sweden)

    C. W. Kennedy

    2005-01-01

    Full Text Available The primary goal of this paper is to provide force feedback to the user using vision-based techniques. The approach presented in this paper can be used to provide force feedback to the surgeon for robot-assisted procedures. As proof of concept, we have developed a linear elastic finite element model (FEM of a rubber membrane whereby the nodal displacements of the membrane points are measured using vision. These nodal displacements are the input into our finite element model. In the first experiment, we track the deformation of the membrane in real-time through stereovision and compare it with the actual deformation computed through forward kinematics of the robot arm. On the basis of accurate deformation estimation through vision, we test the physical model of a membrane developed through finite element techniques. The FEM model accurately reflects the interaction forces on the user console when the interaction forces of the robot arm with the membrane are compared with those experienced by the surgeon on the console through the force feedback device. In the second experiment, the PHANToM haptic interface device is used to control the Mitsubishi PA-10 robot arm and interact with the membrane in real-time. Image data obtained through vision of the deformation of the membrane is used as the displacement input for the FEM model to compute the local interaction forces which are then displayed on the user console for providing force feedback and hence closing the loop.

  2. Interaction between colloidal particles. Literature Review

    Energy Technology Data Exchange (ETDEWEB)

    Longcheng Liu; Neretnieks, Ivars (Royal Inst. of Technology, Stockholm (Sweden). School of Chemical Science and Engineering, Dept. of Chemical Engineering and Technology)

    2010-02-15

    This report summarises the commonly accepted theoretical basis describing interaction between colloidal particles in an electrolyte solution. The two main forces involved are the van der Waals attractive force and the electrical repulsive force. The report describes in some depth the origin of these two forces, how they are formulated mathematically as well as how they interact to sometimes result in attraction and sometimes in repulsion between particles. The report also addresses how the mathematical models can be used to quantify the forces and under which conditions the models can be expected to give fair description of the colloidal system and when the models are not useful. This report does not address more recent theories that still are discussed as to their applicability, such as ion-ion correlation effects and the Coulombic attraction theory (CAT). These and other models will be discussed in future reports

  3. Two-component dressed-bag model for NN interaction: deuteron structure and phase shifts up to 1 GeV

    International Nuclear Information System (INIS)

    Kukulin, V.I.; Obukhovsky, I.T.; Pomerantsev, V.N.; Faessler, A.

    2002-01-01

    A two-component model is developed for the intermediate-range NN interaction based on a new mechanism with an intermediate symmetric six-quark bag 'dressed' by σ and other fields. To calculate the transition amplitude, the microscopic six-quark shell-model in combination with the 3 P 0 -quark pion production mechanism is used. As a result, an effective energy-dependent NN interaction is constructed. The new quark-meson model for the NN interaction has been demonstrated to result in a new type of NN tensor force at intermediate ranges, which is crucially important for the treatment of tensor mixing at intermediate energies. The suggested model is able to describe NN phase shifts in a broad energy range from low energy up to 1 GeV, and the deuteron structure. The generalization of the model results in new spin-orbit 2N and 3N forces and new meson-exchange currents induced by intermediate dressed bag components, and also in the enhancement of a collective σ-field in nuclei. (author)

  4. A cutting force model for micromilling applications

    DEFF Research Database (Denmark)

    Bissacco, Giuliano; Hansen, Hans Nørgaard; De Chiffre, Leonardo

    2006-01-01

    In micro milling the maximum uncut chip thickness is often smaller than the cutting edge radius. This paper introduces a new cutting force model for ball nose micro milling that is capable of taking into account the effect of the edge radius.......In micro milling the maximum uncut chip thickness is often smaller than the cutting edge radius. This paper introduces a new cutting force model for ball nose micro milling that is capable of taking into account the effect of the edge radius....

  5. Modeling leukocyte-leukocyte non-contact interactions in a lymph node.

    Directory of Open Access Journals (Sweden)

    Nicola Gritti

    Full Text Available The interaction among leukocytes is at the basis of the innate and adaptive immune-response and it is largely ascribed to direct cell-cell contacts. However, the exchange of a number of chemical stimuli (chemokines allows also non-contact interaction during the immunological response. We want here to evaluate the extent of the effect of the non-contact interactions on the observed leukocyte-leukocyte kinematics and their interaction duration. To this aim we adopt a simplified mean field description inspired by the Keller-Segel chemotaxis model, of which we report an analytical solution suited for slowly varying sources of chemokines. Since our focus is on the non-contact interactions, leukocyte-leukocyte contact interactions are simulated only by means of a space dependent friction coefficient of the cells. The analytical solution of the Keller-Segel model is then taken as the basis of numerical simulations of interactions between leukocytes and their duration. The mean field interaction force that we derive has a time-space separable form and depends on the chemotaxis sensitivity parameter as well as on the chemokines diffusion coefficient and their degradation rate. All these parameters affect the distribution of the interaction durations. We draw a successful qualitative comparison between simulated data and sets of experimental data for DC-NK cells interaction duration and other kinematic parameters. Remarkably, the predicted percentage of the leukocyte-leukocyte interactions falls in the experimental range and depends (~25% increase upon the chemotactic parameter indicating a non-negligible direct effect of the non-contact interaction on the leukocyte interactions.

  6. Modeling leukocyte-leukocyte non-contact interactions in a lymph node.

    Science.gov (United States)

    Gritti, Nicola; Caccia, Michele; Sironi, Laura; Collini, Maddalena; D'Alfonso, Laura; Granucci, Francesca; Zanoni, Ivan; Chirico, Giuseppe

    2013-01-01

    The interaction among leukocytes is at the basis of the innate and adaptive immune-response and it is largely ascribed to direct cell-cell contacts. However, the exchange of a number of chemical stimuli (chemokines) allows also non-contact interaction during the immunological response. We want here to evaluate the extent of the effect of the non-contact interactions on the observed leukocyte-leukocyte kinematics and their interaction duration. To this aim we adopt a simplified mean field description inspired by the Keller-Segel chemotaxis model, of which we report an analytical solution suited for slowly varying sources of chemokines. Since our focus is on the non-contact interactions, leukocyte-leukocyte contact interactions are simulated only by means of a space dependent friction coefficient of the cells. The analytical solution of the Keller-Segel model is then taken as the basis of numerical simulations of interactions between leukocytes and their duration. The mean field interaction force that we derive has a time-space separable form and depends on the chemotaxis sensitivity parameter as well as on the chemokines diffusion coefficient and their degradation rate. All these parameters affect the distribution of the interaction durations. We draw a successful qualitative comparison between simulated data and sets of experimental data for DC-NK cells interaction duration and other kinematic parameters. Remarkably, the predicted percentage of the leukocyte-leukocyte interactions falls in the experimental range and depends (~25% increase) upon the chemotactic parameter indicating a non-negligible direct effect of the non-contact interaction on the leukocyte interactions.

  7. The effect of including tensor forces in nucleon-nucleon interaction on three-nucleon binding energy

    International Nuclear Information System (INIS)

    Osman, A.; Ramadan, S.

    1986-01-01

    Separable two-body interactions are used in considering the three-nucleon problem. The nucleon-nucleon potentials are taken to include attraction and repulsion as well as tensor forces. The separable approximation is used in order to investigate the effect of the tensor forces. The separable expansion is introduced in the three-nucleon problem, by which the Faddeev equations are reduced to a well-behaved set of coupled integral equations. Numerical calculations are carried out for the obtained integral equations using potential functions of the Yamaguchi, Gaussian, Takabin, Mongan and Reid forms. The present calculated values of the binding energies of the 3 H and 3 He nuclei are in good agreement with the experimental values. The effect of including the tensor forces in the nucleon-nucleon interactions is found to improve the three-nucleon binding energy by about 4.490% to 8.324%. 37 refs., 2 tabs. (author)

  8. Differential MS2 Interaction with Food Contact Surfaces Determined by Atomic Force Microscopy and Virus Recovery.

    Science.gov (United States)

    Shim, J; Stewart, D S; Nikolov, A D; Wasan, D T; Wang, R; Yan, R; Shieh, Y C

    2017-12-15

    Enteric viruses are recognized as major etiologies of U.S. foodborne infections. These viruses are easily transmitted via food contact surfaces. Understanding virus interactions with surfaces may facilitate the development of improved means for their removal, thus reducing transmission. Using MS2 coliphage as a virus surrogate, the strength of virus adhesion to common food processing and preparation surfaces of polyvinyl chloride (PVC) and glass was assessed by atomic force microscopy (AFM) and virus recovery assays. The interaction forces of MS2 with various surfaces were measured from adhesion peaks in force-distance curves registered using a spherical bead probe preconjugated with MS2 particles. MS2 in phosphate-buffered saline (PBS) demonstrated approximately 5 times less adhesion force to glass (0.54 nN) than to PVC (2.87 nN) ( P force for PVC (∼0 nN) and consistently increased virus recovery by 19%. With direct and indirect evidence of virus adhesion, this study illustrated a two-way assessment of virus adhesion for the initial evaluation of potential means to mitigate virus adhesion to food contact surfaces. IMPORTANCE The spread of foodborne viruses is likely associated with their adhesive nature. Virus attachment on food contact surfaces has been evaluated by quantitating virus recoveries from inoculated surfaces. This study aimed to evaluate the microenvironment in which nanometer-sized viruses interact with food contact surfaces and to compare the virus adhesion differences using AFM. The virus surrogate MS2 demonstrated less adhesion force to glass than to PVC via AFM, with the force-contributing factors including the intrinsic nature and the topography of the contact surfaces. This adhesion finding is consistent with the virus recoveries, which were determined indirectly. Greater numbers of viruses were recovered from glass than from PVC, after application at the same levels. The stronger MS2 adhesion onto PVC could be interrupted by incorporating a

  9. Interactions of benzoic acid and phosphates with iron oxide colloids using chemical force titration.

    Science.gov (United States)

    Liang, Jana; Horton, J Hugh

    2005-11-08

    Colloidal iron oxides are an important component in soil systems and in water treatment processes. Humic-based organic compounds, containing both phenol and benzoate functional groups, are often present in these systems and compete strongly with phosphate species for binding sites on the iron oxide surfaces. Here, we examine the interaction of benzoate and phenolic groups with various iron oxide colloids using atomic force microscopy (AFM) chemical force titration measurements. Self-assembled monolayers (SAMs) of 4-(12-mercaptododecyloxy)benzoic acid and 4-(12-mercaptododecyloxy)phenol were used to prepare chemically modified Au-coated AFM tips, and these were used to probe the surface chemistry of a series of iron oxide colloids. The SAMs formed were also characterized using scanning tunneling microscopy, reflection-absorption infrared spectroscopy, and X-ray photoelectron spectroscopy. The surface pK(a) of 4-(12- mercaptododecyloxy)benzoic acid has been determined to be 4.0 +/- 0.5, and the interaction between the tip and the sample coated with a SAM of this species is dominated by hydrogen bonding. The chemical force titraton profile for an AFM probe coated with 4-(12- mercaptododecyloxy)benzoic acid and a bare iron oxide colloid demonstrates that the benzoic acid function group interacts with all three types of iron oxide sites present on the colloid surface over a wide pH range. Similar experiments were carried out on colloids precipitated in the presence of phosphoric, gallic, and tannic acids. The results are discussed in the context of the competitive binding interactions of solution species present in soils or in water treatment processes.

  10. Aerosols, Chemistry, and Radiative Forcing: A 3-D Model Analysis of Satellite and ACE-Asia data (ACMAP)

    Science.gov (United States)

    Chin, Mian; Ginoux, Paul; Torres, Omar; Zhao, Xue-Peng

    2005-01-01

    We propose a research project to incorporate a global 3-D model and satellite data into the multi-national Aerosol Characterization Experiment-Asia (ACE-Asia) mission. Our objectives are (1) to understand the physical, chemical, and optical properties of aerosols and the processes that control those properties over the Asian-Pacific region, (2) to investigate the interaction between aerosols and tropospheric chemistry, and (3) to determine the aerosol radiative forcing over the Asia-Pacific region. We will use the Georgia TecWGoddard Global Ozone Chemistry Aerosol Radiation and Transport (GOCART) model to link satellite observations and the ACE-Asia measurements. First, we will use the GOCART model to simulate aerosols and related species, and evaluate the model with satellite and in-situ observations. Second, the model generated aerosol vertical profiles and compositions will be used to validate the satellite products; and the satellite data will be used for during- and post- mission analysis. Third, we will use the model to analyze and interpret both satellite and ACE- Asia field campaign data and investigate the aerosol-chemistry interactions. Finally, we will calculate aerosol radiative forcing over the Asian-Pacific region, and assess the influence of Asian pollution in the global atmosphere. We propose a research project to incorporate a global 3-D model and satellite data into

  11. The interaction of two collinear cracks in a rectangular superconductor slab under an electromagnetic force

    International Nuclear Information System (INIS)

    Gao Zhiwen; Zhou Youhe; Lee, Kang Yong

    2010-01-01

    The interaction of two collinear cracks is obtained for a type-II superconducting under electromagnetic force. Fracture analysis is performed by means of finite element method and the magnetic behavior of superconductor is described by the critical-state Bean model. The stress intensity factors at the crack tips can be obtained and discussed for decreasing field after zero-field cooling. It is revealed that the stress intensity factor decreases as applied field increases. The crack-tip stress intensity factors decrease when the distance between the two collinear cracks increases and the superconductors with smaller crack has more remarkable shielding effect than those with larger cracks.

  12. Understanding Transient Forcing with Plasma Instability Model, Ionospheric Propagation Model and GNSS Observations

    Science.gov (United States)

    Deshpande, K.; Zettergren, M. D.; Datta-Barua, S.

    2017-12-01

    Fluctuations in the Global Navigation Satellite Systems (GNSS) signals observed as amplitude and phase scintillations are produced by plasma density structures in the ionosphere. Phase scintillation events in particular occur due to structures at Fresnel scales, typically about 250 meters at ionospheric heights and GNSS frequency. Likely processes contributing to small-scale density structuring in auroral and polar regions include ionospheric gradient-drift instability (GDI) and Kelvin-Helmholtz instability (KHI), which result, generally, from magnetosphere-ionosphere interactions (e.g. reconnection) associated with cusp and auroral zone regions. Scintillation signals, ostensibly from either GDI or KHI, are frequently observed in the high latitude ionosphere and are potentially useful diagnostics of how energy from the transient forcing in the cusp or polar cap region cascades, via instabilities, to small scales. However, extracting quantitative details of instabilities leading to scintillation using GNSS data drastically benefits from both a model of the irregularities and a model of GNSS signal propagation through irregular media. This work uses a physics-based model of the generation of plasma density irregularities (GEMINI - Geospace Environment Model of Ion-Neutral Interactions) coupled to an ionospheric radio wave propagation model (SIGMA - Satellite-beacon Ionospheric-scintillation Global Model of the upper Atmosphere) to explore the cascade of density structures from medium to small (sub-kilometer) scales. Specifically, GEMINI-SIGMA is used to simulate expected scintillation from different instabilities during various stages of evolution to determine features of the scintillation that may be useful to studying ionospheric density structures. Furthermore we relate the instabilities producing GNSS scintillations to the transient space and time-dependent magnetospheric phenomena and further predict characteristics of scintillation in different geophysical

  13. SU-F-BRF-01: A GPU Framework for Developing Interactive High-Resolution Patient-Specific Biomechanical Models

    International Nuclear Information System (INIS)

    Neylon, J; Qi, S; Sheng, K; Kupelian, P; Santhanam, A

    2014-01-01

    Purpose: To develop a GPU-based framework that can generate highresolution and patient-specific biomechanical models from a given simulation CT and contoured structures, optimized to run at interactive speeds, for addressing adaptive radiotherapy objectives. Method: A Massspring-damping (MSD) model was generated from a given simulation CT. The model's mass elements were generated for every voxel of anatomy, and positioned in a deformation space in the GPU memory. MSD connections were established between neighboring mass elements in a dense distribution. Contoured internal structures allowed control over elastic material properties of different tissues. Once the model was initialized in GPU memory, skeletal anatomy was actuated using rigid-body transformations, while soft tissues were governed by elastic corrective forces and constraints, which included tensile forces, shear forces, and spring damping forces. The model was validated by applying a known load to a soft tissue block and comparing the observed deformation to ground truth calculations from established elastic mechanics. Results: Our analyses showed that both local and global load experiments yielded results with a correlation coefficient R 2 > 0.98 compared to ground truth. Models were generated for several anatomical regions. Head and neck models accurately simulated posture changes by rotating the skeletal anatomy in three dimensions. Pelvic models were developed for realistic deformations for changes in bladder volume. Thoracic models demonstrated breast deformation due to gravity when changing treatment position from supine to prone. The GPU framework performed at greater than 30 iterations per second for over 1 million mass elements with up to 26 MSD connections each. Conclusions: Realistic simulations of site-specific, complex posture and physiological changes were simulated at interactive speeds using patient data. Incorporating such a model with live patient tracking would facilitate real

  14. Localized Modeling of Biochemical and Flow Interactions during Cancer Cell Adhesion.

    Directory of Open Access Journals (Sweden)

    Julie Behr

    Full Text Available This work focuses on one component of a larger research effort to develop a simulation tool to model populations of flowing cells. Specifically, in this study a local model of the biochemical interactions between circulating melanoma tumor cells (TC and substrate adherent polymorphonuclear neutrophils (PMN is developed. This model provides realistic three-dimensional distributions of bond formation and attendant attraction and repulsion forces that are consistent with the time dependent Computational Fluid Dynamics (CFD framework of the full system model which accounts local pressure, shear and repulsion forces. The resulting full dynamics model enables exploration of TC adhesion to adherent PMNs, which is a known participating mechanism in melanoma cell metastasis. The model defines the adhesion molecules present on the TC and PMN cell surfaces, and calculates their interactions as the melanoma cell flows past the PMN. Biochemical rates of reactions between individual molecules are determined based on their local properties. The melanoma cell in the model expresses ICAM-1 molecules on its surface, and the PMN expresses the β-2 integrins LFA-1 and Mac-1. In this work the PMN is fixed to the substrate and is assumed fully rigid and of a prescribed shear-rate dependent shape obtained from micro-PIV experiments. The melanoma cell is transported with full six-degrees-of-freedom dynamics. Adhesion models, which represent the ability of molecules to bond and adhere the cells to each other, and repulsion models, which represent the various physical mechanisms of cellular repulsion, are incorporated with the CFD solver. All models are general enough to allow for future extensions, including arbitrary adhesion molecule types, and the ability to redefine the values of parameters to represent various cell types. The model presented in this study will be part of a clinical tool for development of personalized medical treatment programs.

  15. Localized Modeling of Biochemical and Flow Interactions during Cancer Cell Adhesion.

    Science.gov (United States)

    Behr, Julie; Gaskin, Byron; Fu, Changliang; Dong, Cheng; Kunz, Robert

    2015-01-01

    This work focuses on one component of a larger research effort to develop a simulation tool to model populations of flowing cells. Specifically, in this study a local model of the biochemical interactions between circulating melanoma tumor cells (TC) and substrate adherent polymorphonuclear neutrophils (PMN) is developed. This model provides realistic three-dimensional distributions of bond formation and attendant attraction and repulsion forces that are consistent with the time dependent Computational Fluid Dynamics (CFD) framework of the full system model which accounts local pressure, shear and repulsion forces. The resulting full dynamics model enables exploration of TC adhesion to adherent PMNs, which is a known participating mechanism in melanoma cell metastasis. The model defines the adhesion molecules present on the TC and PMN cell surfaces, and calculates their interactions as the melanoma cell flows past the PMN. Biochemical rates of reactions between individual molecules are determined based on their local properties. The melanoma cell in the model expresses ICAM-1 molecules on its surface, and the PMN expresses the β-2 integrins LFA-1 and Mac-1. In this work the PMN is fixed to the substrate and is assumed fully rigid and of a prescribed shear-rate dependent shape obtained from micro-PIV experiments. The melanoma cell is transported with full six-degrees-of-freedom dynamics. Adhesion models, which represent the ability of molecules to bond and adhere the cells to each other, and repulsion models, which represent the various physical mechanisms of cellular repulsion, are incorporated with the CFD solver. All models are general enough to allow for future extensions, including arbitrary adhesion molecule types, and the ability to redefine the values of parameters to represent various cell types. The model presented in this study will be part of a clinical tool for development of personalized medical treatment programs.

  16. Heterogeneous Deformable Modeling of Bio-Tissues and Haptic Force Rendering for Bio-Object Modeling

    Science.gov (United States)

    Lin, Shiyong; Lee, Yuan-Shin; Narayan, Roger J.

    This paper presents a novel technique for modeling soft biological tissues as well as the development of an innovative interface for bio-manufacturing and medical applications. Heterogeneous deformable models may be used to represent the actual internal structures of deformable biological objects, which possess multiple components and nonuniform material properties. Both heterogeneous deformable object modeling and accurate haptic rendering can greatly enhance the realism and fidelity of virtual reality environments. In this paper, a tri-ray node snapping algorithm is proposed to generate a volumetric heterogeneous deformable model from a set of object interface surfaces between different materials. A constrained local static integration method is presented for simulating deformation and accurate force feedback based on the material properties of a heterogeneous structure. Biological soft tissue modeling is used as an example to demonstrate the proposed techniques. By integrating the heterogeneous deformable model into a virtual environment, users can both observe different materials inside a deformable object as well as interact with it by touching the deformable object using a haptic device. The presented techniques can be used for surgical simulation, bio-product design, bio-manufacturing, and medical applications.

  17. Modeling the influence of the Casimir force on the pull-in instability of nanowire-fabricated nanotweezers

    Science.gov (United States)

    Farrokhabadi, Amin; Mokhtari, Javad; Rach, Randolph; Abadyan, Mohamadreza

    2015-09-01

    The Casimir force can strongly interfere with the pull-in performance of ultra-small structures. The strength of the Casimir force is significantly affected by the geometries of interacting bodies. Previous investigators have exclusively studied the effect of the Casimir force on the electromechanical instability of nanostructures with planar geometries. However no work has yet considered this effect on the pull-in instability of systems with cylindrical geometries such as nanotweezers fabricated from nanotube/nanowires. In our present work, the influence of the Casimir attraction on the electrostatic response and pull-in instability of nanotweezers fabricated from cylindrical conductive nanowires/nanotubes is theoretically investigated. An asymptotic solution, based on scattering theory, is applied to consider the effect of vacuum fluctuations in the theoretical model. The Euler-Bernoulli beam model is employed, in conjunction with the size-dependent modified couple stress continuum theory, to derive the governing equation of the nanotweezers. The governing nonlinear equations are solved by two different approaches, i.e., the modified Adomian-Padé method (MAD-Padé) and a numerical solution. Various aspects of the problem, i.e., the variation of pull-in parameters, effect of geometry, coupling between the Casimir force and size dependency effects and comparison with the van der Waals force regime are discussed.

  18. StringForce

    DEFF Research Database (Denmark)

    Barendregt, Wolmet; Börjesson, Peter; Eriksson, Eva

    2017-01-01

    In this paper, we present the forced collaborative interaction game StringForce. StringForce is developed for a special education context to support training of collaboration skills, using readily available technologies and avoiding the creation of a "mobile bubble". In order to play String......Force two or four physically collocated tablets are required. These tablets are connected to form one large shared game area. The game can only be played by collaborating. StringForce extends previous work, both technologically and regarding social-emotional training. We believe String......Force to be an interesting demo for the IDC community, as it intertwines several relevant research fields, such as mobile interaction and collaborative gaming in the special education context....

  19. Aespoe modelling task force - experiences of the site specific flow and transport modelling (in detailed and site scale)

    Energy Technology Data Exchange (ETDEWEB)

    Gustafson, Gunnar [Chalmers Univ. of Technology, Goeteborg (Sweden); Stroem, A.; Wikberg, P. [Swedish Nuclear Fuel and Waste Management Co. , Stockholm (Sweden)

    1998-09-01

    The Aespoe Task Force on modelling of groundwater flow and transport of solutes was initiated in 1992. The Task Force shall be a forum for the organisations supporting the Aespoe Hard Rock Laboratory Project to interact in the area of conceptual and numerical modelling of groundwater flow and solute transport in fractured rock. Much emphasis is put on building of confidence in the approaches and methods in use for modelling of groundwater flow and nuclide migration in order to demonstrate their use for performance and safety assessment. The modelling work within the Task Force is linked to the experiments performed at the Aespoe Laboratory. As the first Modelling Task, a large scale pumping and tracer experiment called LPT2 was chosen. This was the final part of the characterisation work for the Aespoe site before the construction of the laboratory in 1990. The construction of the Aespoe HRL access tunnel caused an even larger hydraulic disturbance on a much larger scale than that caused by the LPT2 pumping test. This was regarded as an interesting test case for the conceptual and numerical models of the Aespoe site developed during Task No 1, and was chosen as the third Modelling Task. The aim of Task 3 can be seen from two different perspectives. The Aespoe HRL project saw it as a test of their ability to define a conceptual and structural model of the site that can be utilised by independent modelling groups and be transformed to a predictive groundwater flow model. The modelling groups saw it as a means of understanding groundwater flow in a large fractured rock volume and of testing their computational tools. A general conclusion is that Task 3 has served these purposes well. Non-sorbing tracers tests, made as a part of the TRUE-experiments were chosen as the next predictive modelling task. A preliminary comparison between model predictions made by the Aespoe Task Force and the experimental results, shows that most modelling teams predicted breakthrough from

  20. Surface force analysis of molecular interfacial interactions of proteins and lipids with polymeric biomaterials

    International Nuclear Information System (INIS)

    Hamilton-Brown, P.; Griesser, H.J.; Meagher, L.

    2001-01-01

    Full text: Adverse biological responses to biomedical devices are often caused by the irreversible accumulation of biological deposits onto the surfaces of devices. Such deposits cause blocking of artificial blood vessels, fibrous encapsulation of soft tissue regenerative devices, 'fouling' of contact lenses, secondary cataracts on intraocular lenses, and other undesirable events that interfere with the intended functions of biomedical devices. The formation of deposits is triggered by an initial stage in which various proteins and lipids rapidly adsorb onto the synthetic material surface; further biological molecules and ultimately cellular entities (e.g., host cells, bacteria) then settle onto the initial adsorbed layer. Hence, to avoid or control the accumulation of biological deposits, molecular understanding is required of the initial adsorption processes. Such adsorption is caused by attractive interfacial forces, which we are characterising by the use of a novel method. In the present study, polymeric thin film coatings, polyethylene oxide (PEO), and polysaccharide coatings have been analysed in terms of their surface forces and the ensuing propensity for protein and lipid adsorption. Interfacial forces are measured using atomic force microscopy (AFM) with a colloid-modified tip in a liquid cell using solutions of physiological pH and ionic strength. The chemical composition and uniformity of the coatings was characterised by X-ray Photon Spectroscopy (XPS). For a polymeric solid coating, repulsive forces have been measured against a silica colloid probe, and the dominant surface force is electrostatic. For the highly hydrated, 'soft' PEO and polysaccharide coatings, on the other hand, steric/entropic forces are also significant and contribute to interfacial interactions with proteins and lipids. In one system we have observed a time dependence of the electrostatic surface potential, which affects interaction with charged proteins. Force measurements were

  1. Simple computer model for the nonlinear beam--beam interaction in ISABELLE

    International Nuclear Information System (INIS)

    Herrera, J.C.; Month, M.; Peierls, R.F.

    1979-03-01

    The beam--beam interaction for two counter-rotating continuous proton beams crossing at an angle can be simulated by a 1-dimensional nonlinear force. The model is applicable to ISABELLE as well as to the ISR. Since the interaction length is short compared with the length of the beam orbit, the interaction region is taken to be a point. The problem is then treated as a mapping with the remainder of the system taken to be a rotation of phase given by the betatron tune of the storage ring. The evolution of the mean square amplitude of a given distribution of particles is shown for different beam--beam strengths. The effect of round-off error with resulting loss of accuracy for particle trajectories is discussed. 3 figures

  2. Three-Body Nuclear Forces from a Matrix Model

    CERN Document Server

    Hashimoto, Koji

    2010-01-01

    We compute three-body nuclear forces at short distances by using the nuclear matrix model of holographic QCD proposed in our previous paper with P. Yi. We find that the three-body forces at short distances are repulsive for (a) aligned three neutrons with averaged spins, and (b) aligned proton-proton-neutron / proton-neutron-neutron. These indicate that in dense states of neutrons such as cores of neutron stars, or in Helium-3 / tritium nucleus, the repulsive forces are larger than the ones estimated from two-body forces only.

  3. Imaging contrast and tip-sample interaction of non-contact amplitude modulation atomic force microscopy with Q -control

    International Nuclear Information System (INIS)

    Shi, Shuai; Guo, Dan; Luo, Jianbin

    2017-01-01

    Active quality factor ( Q ) exhibits many promising properties in dynamic atomic force microscopy. Energy dissipation and image contrasts are investigated in the non-contact amplitude modulation atomic force microscopy (AM-AFM) with an active Q -control circuit in the ambient air environment. Dissipated power and virial were calculated to compare the highly nonlinear interaction of tip-sample and image contrasts with different Q gain values. Greater free amplitudes and lower effective Q values show better contrasts for the same setpoint ratio. Active quality factor also can be employed to change tip-sample interaction force in non-contact regime. It is meaningful that non-destructive and better contrast images can be realized in non-contact AM-AFM by applying an active Q -control to the dynamic system. (paper)

  4. Subatomic forces

    International Nuclear Information System (INIS)

    Sutton, C.

    1989-01-01

    Inside the atom, particles interact through two forces which are never felt in the everyday world. But they may hold the key to the Universe. These ideas on subatomic forces are discussed with respect to the strong force, the electromagnetic force and the electroweak force. (author)

  5. Development and application of an interactive climate-ecosystem model system

    Institute of Scientific and Technical Information of China (English)

    CHEN Ming; D. Pollard

    2003-01-01

    A regional climate-ecosystem model system is developed in this study. It overcomes the weakness in traditional one-way coupling models and enables detailed description of interactive process between climate and natural ecosystem. It is applied to interaction study between monsoon climate and ecosystem in East Asia, with emphasis on future climate and ecosystem change scenario forced by doubled CO2. The climate tends to be warmer and wetter under doubled CO2 in Jianghuai and the Yangzi River valley, but it becomes warmer and drier in inland areas of northern and northwestern China. The largest changes and feedbacks between vegetation and climate occur in northern China. Northern inland ecosystems experience considerable degradation and desertification, indicating a marked sensitivity and vulnerability to climatic change. The strongest vegetation response to climate change occurs in northern China and the weakest in southern China. Vegetation feedbacks intensify warming and reduce drying due to increased CO2 during summer in northern China. Generally, vegetation-climate interactions are much stronger in northern China than in southern China.

  6. Nuclear force from string theory

    International Nuclear Information System (INIS)

    Hashimoto, Koji; Sakai, Tadakatsu; Sugimoto, Shigeki

    2009-01-01

    We compute the nuclear force in a holographic model of QCD on the basis of a D4-D8 brane configuration in type IIA string theory. The repulsive core of nucleons is important in nuclear physics, but its origin has not been well understood in strongly coupled QCD. We find that the string theory via gauge/string duality deduces this repulsive core at a short distance between nucleons. Since baryons in the model are realized as solitons given by Yang-Mills instanton configuration on flavor D8-branes, ADHM construction of two instantons probes well the nucleon interaction at short scale, which provides the nuclear force quantitatively. We obtain a central force, as well as a tensor force, which is strongly repulsive as suggested in experiments and lattice results. In particular, the nucleon-nucleon potential V(r) (as a function of the distance) scales as r -2 , which is peculiar to the holographic model. We compare our results with the one-boson exchange model using the nucleon-nucleon-meson coupling obtained in our previous paper. (author)

  7. Physical Origin of Density Dependent Force of the Skyrme Type within the Quark Meson Coupling Model

    International Nuclear Information System (INIS)

    Pierre Guichon; Hrayr Matevosyan; N. Sandulescu; Anthony Thomas

    2006-01-01

    A density dependent, effective nucleon-nucleon force of the Skyrme type is derived from the quark-meson coupling model--a self-consistent, relativistic quark level description of nuclear matter. This new formulation requires no assumption that the mean scalar field is small and hence constitutes a significant advance over earlier work. The similarity of the effective interaction to the widely used SkM* force encourages us to apply it to a wide range of nuclear problems, beginning with the binding energies and charge distributions of doubly magic nuclei. Finding impressive results in this conventional arena, we apply the same effective interaction, within the Hartree-Fock-Bogoliubov approach, to the properties of nuclei far from stability. The resulting two neutron drip lines and shell quenching are quite satisfactory. Finally, we apply the relativistic formulation to the properties of dense nuclear matter in anticipation of future application to the properties of neutron stars

  8. Overall evaluation of the modelling of the TRUE-1 tracer tests - Task 4. The Aespoe Task Force on Modelling of Groundwater Flow and Transport of Solutes

    International Nuclear Information System (INIS)

    Marschall, Paul; Elert, Mark

    2003-09-01

    The Aespoe Task Force on Modelling of Groundwater Flow and Transport of Solutes is a forum for the international organisations supporting the Aespoe HRL Project. The purpose of the Task Force is to interact in the area of conceptual and numerical modelling of groundwater flow and solute transport in fractured rock. Task 4 of the Aespoe Modelling Task Force consists of modelling exercises in support of the TRUE-1 tracer tests. The task was carried out in 1995-2000 and consisted of several modelling exercises in support of the TRUE-1 tracer tests, including predictive modelling where experimental results were not available beforehand. This report presents an overall evaluation of the achievements of Task 4. The specific objectives of the overall evaluation were to highlight innovative and successful modelling approaches developed, to assess the stages of the task which proved most beneficial for conceptual understanding of transport processes at the TRUE-1 site and to assess the success of various steering tools. A concise summary of scientific achievements is given and conclusions drawn with respect to unresolved technical issues. Recommendations are presented that can optimise the management of future modelling tasks

  9. The Canadian Forces Recruitment/Attrition Model

    National Research Council Canada - National Science Library

    Wait, Tracey

    1998-01-01

    ...). This model is designed to look at both demand, that is what recruitment is required to meet a Canadian Forces human resource scenario, and supply, that is what is the potential recruitable population...

  10. Near-field Light Scattering Techniques for Measuring Nanoparticle-Surface Interaction Energies and Forces.

    Science.gov (United States)

    Schein, Perry; Ashcroft, Colby K; O'Dell, Dakota; Adam, Ian S; DiPaolo, Brian; Sabharwal, Manit; Shi, Ce; Hart, Robert; Earhart, Christopher; Erickson, David

    2015-08-15

    Nanoparticles are quickly becoming commonplace in many commercial and industrial products, ranging from cosmetics to pharmaceuticals to medical diagnostics. Predicting the stability of the engineered nanoparticles within these products a priori remains an important and difficult challenge. Here we describe our techniques for measuring the mechanical interactions between nanoparticles and surfaces using near-field light scattering. Particle-surface interfacial forces are measured by optically "pushing" a particle against a reference surface and observing its motion using scattered near-field light. Unlike atomic force microscopy, this technique is not limited by thermal noise, but instead takes advantage of it. The integrated waveguide and microfluidic architecture allow for high-throughput measurements of about 1000 particles per hour. We characterize the reproducibility of and experimental uncertainty in the measurements made using the NanoTweezer surface instrument. We report surface interaction studies on gold nanoparticles with 50 nm diameters, smaller than previously reported in the literature using similar techniques.

  11. Surface interaction forces of cellulose nanocrystals grafted with thermoresponsive polymer brushes.

    Science.gov (United States)

    Zoppe, Justin O; Osterberg, Monika; Venditti, Richard A; Laine, Janne; Rojas, Orlando J

    2011-07-11

    The colloidal stability and thermoresponsive behavior of poly(N-isopropylacrylamide) brushes grafted from cellulose nanocrystals (CNCs) of varying graft densities and molecular weights was investigated. Indication of the grafted polymer brushes was obtained after AFM imaging of CNCs adsorbed on silica. Also, aggregation of the nanoparticles carrying grafts of high degree of polymerization was observed. The responsiveness of grafted CNCs in aqueous dispersions and as an ultrathin film was evaluated by using light scattering, viscosimetry, and colloidal probe microscopy (CPM). Light transmittance measurements showed temperature-dependent aggregation originating from the different graft densities and molecular weights. The lower critical solution temperature (LCST) of grafted poly(NiPAAm) brushes was found to decrease with the ionic strength, as is the case for free poly(NiPAAm) in aqueous solution. Thermal responsive behavior of grafted CNCs in aqueous dispersions was observed by a sharp increase in dispersion viscosity as the temperature approached the LCST. CPM in liquid media for asymmetric systems consisting of ultrathin films of CNCs and a colloidal silica probe showed the distinctive effects of the grafted polymer brushes on interaction and adhesive forces. The origin of such forces was found to be mainly electrostatic and steric in the case of bare and grafted CNCs, respectively. A decrease in the onset of attractive and adhesion forces of grafted CNCs films were observed with the ionic strength of the aqueous solution. The decreased mobility of polymer brushes upon partial collapse and decreased availability of hydrogen bonding sites with higher electrolyte concentration were hypothesized as the main reasons for the less prominent polymer bridging between interacting surfaces.

  12. Genuine two-fluid computations of laser-plasma interaction for generation of nonlinear force driven plasma blocks

    International Nuclear Information System (INIS)

    Nafari, F.; Yazdani, E.; Malekynia, B.; Ghoranneviss, M.

    2010-01-01

    Complete text of publication follows. Anomalous interaction of picosecond laser pulses of terawatt to petawatt power is due to suppression of relativistic self-focusing if prepulses are cut-off by a contrast ratio higher than 10 8 . Resulting non-linear ponderomotive forces induced at the skin-layer interaction of a short laser-pulse with a proper preplasma layer produced by the laser prepulse in front of a solid target accelerate two thin (a few μm) quasi-neutral plasma blocks, propagating in forward and backward directions, backward moving against the laser light (ablation) and forward moving into the target. This compressed block produces an ion current density of above 10 11 A/cm 2 . This may support the requirement to produce a fast ignition deuterium tritium fusion at densities not much higher than the solid state by a single shot pw-ps laser pulse. With studying skin-layer subrelativistic interaction of a short (≤ 1 ps) laser pulse with an initial Rayleigh density profile in genuine two-fluid hydrodynamic model, time and spatial distributions of ion block temperature are presented.

  13. The d-α elastic scattering and the lithium-6 in a three-body model with separable interactions

    International Nuclear Information System (INIS)

    Charnomordic, Brigitte.

    1976-01-01

    This work consists in a three-body treatment of the six nucleon system. The model is constructed by considering two identical nucleons and a structureless alpha particle. Such a system can be described by the Faddeev-Lovelace equations. A partial antisymetrization is performed taking into account the identity of the nucleons. Pairwise interacting particles with nonlocal separable forces are introduced. Two-body potentials are chosen in each n-n and n-α partial wave. After an analysis of the existing separable interactions, new n-α and 1S0 parametrization are constructed. The sensitivity to the tensor force and the role of the N-α description are especially studied. The case of d-α elastic scattering is also discussed. The observables: differential cross-section, analyzing powers and transfer polarization coefficients are calculated and compared with experiments. The results show the ability of a three-body model with separable interactions in describing the main properties of the d-α elastic scattering and lithium-6 [fr

  14. Mapping the global football field: a sociological model of transnational forces within the world game.

    Science.gov (United States)

    Giulianotti, Richard; Robertson, Roland

    2012-06-01

    This paper provides a sociological model of the key transnational political and economic forces that are shaping the 'global football field'. The model draws upon, and significantly extends, the theory of the 'global field' developed previously by Robertson. The model features four quadrants, each of which contains a dominant operating principle, an 'elemental reference point', and an 'elemental theme'. The quadrants contain, first, neo-liberalism, associated with the individual and elite football clubs; second, neo-mercantilism, associated with nation-states and national football systems; third, international relations, associated with international governing bodies; and fourth, global civil society, associated with diverse institutions that pursue human development and/or social justice. We examine some of the interactions and tensions between the major institutional and ideological forces across the four quadrants. We conclude by examining how the weakest quadrant, featuring global civil society, may gain greater prominence within football. In broad terms, we argue that our four-fold model may be utilized to map and to examine other substantive research fields with reference to globalization. © London School of Economics and Political Science 2012.

  15. Digital design and fabrication of simulation model for measuring orthodontic force.

    Science.gov (United States)

    Liu, Yun-Feng; Zhang, Peng-Yuan; Zhang, Qiao-Fang; Zhang, Jian-Xing; Chen, Jie

    2014-01-01

    Three dimensional (3D) forces are the key factors for determining movement of teeth during orthodontic treatment. Designing precise forces and torques on tooth before treatment can result accurate tooth movements, but it is too difficult to realize. In orthodontic biomechanical systems, the periodontal tissues, including bones, teeth, and periodontal ligaments (PDL), are affected by braces, and measuring the forces applied on the teeth by braces should be based on a simulated model composed of these three types of tissues. This study explores the design and fabrication of a simulated oral model for 3D orthodontic force measurements. Based on medical image processing, tissue reconstruction, 3D printing, and PDL simulation and testing, a model for measuring force was designed and fabricated, which can potentially be used for force prediction, design of treatment plans, and precise clinical operation. The experiment illustrated that bi-component silicones with 2:8 ratios had similar mechanical properties to PDL, and with a positioning guide, the teeth were assembled in the mandible sockets accurately, and so a customized oral model for 3D orthodontic force measurement was created.

  16. Force and Stress along Simulated Dissociation Pathways of Cucurbituril-Guest Systems.

    Science.gov (United States)

    Velez-Vega, Camilo; Gilson, Michael K

    2012-03-13

    The field of host-guest chemistry provides computationally tractable yet informative model systems for biomolecular recognition. We applied molecular dynamics simulations to study the forces and mechanical stresses associated with forced dissociation of aqueous cucurbituril-guest complexes with high binding affinities. First, the unbinding transitions were modeled with constant velocity pulling (steered dynamics) and a soft spring constant, to model atomic force microscopy (AFM) experiments. The computed length-force profiles yield rupture forces in good agreement with available measurements. We also used steered dynamics with high spring constants to generate paths characterized by a tight control over the specified pulling distance; these paths were then equilibrated via umbrella sampling simulations and used to compute time-averaged mechanical stresses along the dissociation pathways. The stress calculations proved to be informative regarding the key interactions determining the length-force profiles and rupture forces. In particular, the unbinding transition of one complex is found to be a stepwise process, which is initially dominated by electrostatic interactions between the guest's ammoniums and the host's carbonyl groups, and subsequently limited by the extraction of the guest's bulky bicyclooctane moiety; the latter step requires some bond stretching at the cucurbituril's extraction portal. Conversely, the dissociation of a second complex with a more slender guest is mainly driven by successive electrostatic interactions between the different guest's ammoniums and the host's carbonyl groups. The calculations also provide information on the origins of thermodynamic irreversibilities in these forced dissociation processes.

  17. Origins of hydrodynamic forces on centrifugal pump impellers

    Science.gov (United States)

    Adkins, Douglas R.; Brennen, Christopher E.

    1987-01-01

    Hydrodynamic interactions that occur between a centrifugal pump impeller and volute are experimentally and theoretically investigated. The theoretical analysis considers the inability of the blades to perfectly guide the flow through the impeller, and also includes a quasi-one dimensional treatment of the flow in the volute. The disturbance at the impeller discharge and the resulting forces are determined by the theoretical model. The model is then extended to obtain the hydrodynamic force perturbations that are caused by the impeller whirling eccentrically in the volute. Under many operating conditions, these force perturbations were found to be destablizing. Comparisons are made between the theoretical model and the experimental measurements of pressure distributions and radial forces on the impeller. The theoretical model yields fairly accurate predictions of the radial forces caused by the flow through the impeller. However, it was found that the pressure acting on the front shroud of the impeller has a substantial effect on the destablizing hydrodynamic forces.

  18. A Light Sail Inspired Model to Harness Casimir Forces for Propellantless Propulsion

    International Nuclear Information System (INIS)

    DeBiase, R. L.

    2010-01-01

    The model used to calculate Casimir forces for variously shaped conducting plates in this paper assumes the vacuum energy pervades all space and that photons randomly pop into and out of existence. While they exist, they possess energy and momentum that can be transferred by reflection as in a light sail. Quantum mechanics in the model is entirely bound up in the Casimir equation of force per unit area. This model is compared with two different experiments: that of Chen and Mohideen demonstrating lateral Casimir forces for sinusoidally corrugated spherical and flat plates and Lamoreaux demonstrating normal Casimir forces between a conducting sphere and flat plate. The calculated forces using this model were compared to the forces obtained in these experiments as well as with calculations using the proximity force approximation. In both cases the results (when compared to the actual plates measured and calculated using non-corrected equations) were less than a few parts per thousand different for the range of separation distances used. When the model was used to calculate forces on the opposite plates, different force magnitudes were obtained seemingly indicating prospects for propellentless propulsion but requiring skeptical verification.

  19. Modelling vertical human walking forces using self-sustained oscillator

    Science.gov (United States)

    Kumar, Prakash; Kumar, Anil; Racic, Vitomir; Erlicher, Silvano

    2018-01-01

    This paper proposes a model of a self-sustained oscillator which can generate reliably the vertical contact force between the feet of a healthy pedestrian and the supporting flat rigid surface. The model is motivated by the self-sustained nature of the walking process, i.e. a pedestrian generates the required inner energy to sustain its repetitive body motion. The derived model is a fusion of the well-known Rayleigh, Van der Pol and Duffing oscillators. Some additional nonlinear terms are added to produce both the odd and even harmonics observed in the experimentally measured force data. The model parameters were derived from force records due to twelve pedestrians walking on an instrumented treadmill at ten speeds using a linear least square technique. The stability analysis was performed using the energy balance method and perturbation method. The results obtained from the model show a good agreement with the experimental results.

  20. The Canadian Forces Recruitment/Attrition Model

    National Research Council Canada - National Science Library

    Wait, Tracey

    1998-01-01

    ...), as part of its mandate to provide analysis of potential impacts of trends and change on defense and defense related issues, has designed a prototype model of recruitment and attrition of the Canadian Forces (C F...

  1. Optimization of levitation and guidance forces in a superconducting Maglev system

    Science.gov (United States)

    Yildizer, Irfan; Cansiz, Ahmet; Ozturk, Kemal

    2016-09-01

    Optimization of the levitation for superconducting Maglev systems requires effective use of vertical and guidance forces during the operation. In this respect the levitation and guidance forces in terms of various permanent magnet array configurations are analyzed. The arrangements of permanent magnet arrays interacting with the superconductor are configured for the purpose of increasing the magnetic flux density. According to configurations, modeling the interaction forces between the permanent magnet and the superconductor are established in terms of the frozen image model. The model is complemented with the analytical calculations and provides a reasonable agreement with the experiments. The agreement of the analytical calculation associated with the frozen image model indicates a strong case to establish an optimization, in which provides preliminary analysis before constructing more complex Maglev system.

  2. Molecular mechanics and quantum mechanical modeling of hexane soot structure and interactions with pyrene

    Directory of Open Access Journals (Sweden)

    Kubicki JD

    2000-09-01

    Full Text Available Molecular simulations (energy minimizations and molecular dynamics of an n-hexane soot model developed by Smith and co-workers (M. S. Akhter, A. R. Chughtai and D. M. Smith, Appl. Spectrosc., 1985, 39, 143; ref. 1 were performed. The MM+ (N. L. Allinger, J. Am. Chem. Soc., 1977, 395, 157; ref. 2 and COMPASS (H. Sun, J. Phys. Chem., 1998, 102, 7338; ref. 3 force fields were tested for their ability to produce realistic soot nanoparticle structure. The interaction of pyrene with the model soot was simulated. Quantum mechanical calculations on smaller soot fragments were carried out. Starting from an initial 2D structure, energy minimizations are not able to produce the observed layering within soot with either force field. Results of molecular dynamics simulations indicate that the COMPASS force field does a reasonably accurate job of reproducing observations of soot structure. Increasing the system size from a 683 to a 2732 atom soot model does not have a significant effect on predicted structures. Neither does the addition of water molecules surrounding the soot model. Pyrene fits within the soot structure without disrupting the interlayer spacing. Polycyclic aromatic hydrocarbons (PAH, such as pyrene, may strongly partition into soot and have slow desorption kinetics because the PAH-soot bonding is similar to soot–soot interactions. Diffusion of PAH into soot micropores may allow the PAH to be irreversibly adsorbed and sequestered so that they partition slowly back into an aqueous phase causing dis-equilibrium between soil organic matter and porewater.

  3. Parity violating NN forcES in the quark compound bag model

    International Nuclear Information System (INIS)

    Simonov, Yu.A.

    1982-01-01

    Parity violation (PV) in the interaction is considered as due to the Weinberg-Salam quark-quark interaction inside the six-quark bag. The initial and final strong interaction is described within the same quark compound bag (QCB) model, where the NN coupling to the six quark QCB is defined from the NN experimental data. The resulting PV amplitude contains no free parameters and allows therefore an unambiguous test of the QCB model. An estimate of the 1 S 0 → 3 P 0 contribution to the proton-proton asymmetry is in a rough agreement with experimental data [ru

  4. Fluid structure interaction modeling of liquid sloshing phenomena in flexible tanks

    International Nuclear Information System (INIS)

    Nicolici, S.; Bilegan, R.M.

    2013-01-01

    Highlights: ► We used Ansys Workbench package to study sloshing phenomena in liquid containers. ► The interaction liquid–structure is modeled considering full and one-way coupling. ► The results obtained with the FSI models were compared against design codes. ► The results have shown that the sloshing is influenced by tank wall elasticity. -- Abstract: The present paper is concerned with the problem of modeling the fluid–structure interaction (FSI) in partially filled liquid containers. The study focuses on the sloshing phenomena and on the coupling computational fluid dynamics (CFD) analysis with the finite element stress analysis (FEA) used to predict the sloshing wave amplitude, convective mode frequency, pressure exerted on the walls and the effect of sloshing on the anchoring points forces. The interaction between fluids (water and air) and tank wall is modeled considering full and one-way coupling. Using the time history of an earthquake excitation, the results of the FSI model are compared with those obtained employing simplified mechanical models given in design codes. The coupling phenomenon was found to influence the sloshing effect, the impulsive pressure being amplified by the wall elasticity. The applied FSI methodology proves to be feasible in analyzing a 3D full coupled CFD/FEA storage tank subjected to a long time history excitation

  5. Mechanism of force mode dip-pen nanolithography

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Haijun, E-mail: yanghaijun@sinap.ac.cn, E-mail: swguo@sjtu.edu.cn, E-mail: wanghuabin@cigit.ac.cn [Key Laboratory for Thin Film and Microfabrication of the Ministry of Education, Research Institute of Micro/Nano Science and Technology, Shanghai Jiao Tong University, Shanghai 200240 (China); Interfacial Water Division and Key Laboratory of Interfacial Physics and Technology, Shanghai Institute of Applied Physics, CAS, Shanghai 201800 (China); Xie, Hui; Rong, Weibin; Sun, Lining [State Key Laboratory of Robotics and Systems, Harbin Institute of Technology, Harbin 150080 (China); Wu, Haixia; Guo, Shouwu, E-mail: yanghaijun@sinap.ac.cn, E-mail: swguo@sjtu.edu.cn, E-mail: wanghuabin@cigit.ac.cn [Key Laboratory for Thin Film and Microfabrication of the Ministry of Education, Research Institute of Micro/Nano Science and Technology, Shanghai Jiao Tong University, Shanghai 200240 (China); Wang, Huabin, E-mail: yanghaijun@sinap.ac.cn, E-mail: swguo@sjtu.edu.cn, E-mail: wanghuabin@cigit.ac.cn [Centre for Tetrahertz Research, Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Sciences, Chongqing 400714 (China)

    2014-05-07

    In this work, the underlying mechanism of the force mode dip-pen nanolithography (FMDPN) is investigated in depth by analyzing force curves, tapping mode deflection signals, and “Z-scan” voltage variations during the FMDPN. The operation parameters including the relative “trigger threshold” and “surface delay” parameters are vital to control the loading force and dwell time for ink deposition during FMDPN. A model is also developed to simulate the interactions between the atomic force microscope tip and soft substrate during FMDPN, and verified by its good performance in fitting our experimental data.

  6. Head-On Beam-Beam Interactions in High-Energy Hadron Colliders. GPU-Powered Modelling of Nonlinear Effects

    CERN Document Server

    AUTHOR|(CDS)2160109; Støvneng, Jon Andreas

    2017-08-15

    The performance of high-energy circular hadron colliders, as the Large Hadron Collider, is limited by beam-beam interactions. The strength of the beam-beam interactions will be higher after the upgrade to the High-Luminosity Large Hadron Collider, and also in the next generation of machines, as the Future Circular Hadron Collider. The strongly nonlinear force between the two opposing beams causes diverging Hamiltonians and drives resonances, which can lead to a reduction of the lifetime of the beams. The nonlinearity makes the effect of the force difficult to study analytically, even at first order. Numerical models are therefore needed to evaluate the overall effect of different configurations of the machines. For this thesis, a new code named CABIN (Cuda-Accelerated Beam-beam Interaction) has been developed to study the limitations caused by the impact of strong beam-beam interactions. In particular, the evolution of the beam emittance and beam intensity has been monitored to study the impact quantitatively...

  7. Effects of interactive technology, teacher scaffolding and feedback on university students' conceptual development in motion and force concepts

    Science.gov (United States)

    Stecklein, Jason Jeffrey

    The utilization of interactive technologies will affect learning in science classrooms of the future. And although these technologies have improved in form and function, their effective employment in university science classrooms has lagged behind the rapid development of new constructivist pedagogies and means of instruction. This dissertation examines the enlistment of instructional technologies, in particular tablet PCs and DyKnow Interactive Software, in a technologically enhanced, university-level, introductory physics course. Results of this qualitative case study of three university students indicate that (1) the use of interactive technology positively affects both student learning within force and motion and self-reported beliefs about physics, (2) ad hoc use of instructional technologies may not sufficient for effective learning in introductory physics, (3) student learners dictate the leveraging of technology in any classroom, and (4) that purposeful teacher structuring of classroom activities with technologies are essential for student construction of knowledge. This includes designing activities to elicit attention and make knowledge visible for low-level content, while augmenting student interactions and modelling procedural steps for higher-level content.

  8. Development of Physics and Control of Multiple Forcing Mechanisms for the Alaska Tsunami Forecast Model

    Science.gov (United States)

    Bahng, B.; Whitmore, P.; Macpherson, K. A.; Knight, W. R.

    2016-12-01

    The Alaska Tsunami Forecast Model (ATFM) is a numerical model used to forecast propagation and inundation of tsunamis generated by earthquakes or other mechanisms in either the Pacific Ocean, Atlantic Ocean or Gulf of Mexico. At the U.S. National Tsunami Warning Center (NTWC), the use of the model has been mainly for tsunami pre-computation due to earthquakes. That is, results for hundreds of hypothetical events are computed before alerts, and are accessed and calibrated with observations during tsunamis to immediately produce forecasts. The model has also been used for tsunami hindcasting due to submarine landslides and due to atmospheric pressure jumps, but in a very case-specific and somewhat limited manner. ATFM uses the non-linear, depth-averaged, shallow-water equations of motion with multiply nested grids in two-way communications between domains of each parent-child pair as waves approach coastal waters. The shallow-water wave physics is readily applicable to all of the above tsunamis as well as to tides. Recently, the model has been expanded to include multiple forcing mechanisms in a systematic fashion, and to enhance the model physics for non-earthquake events.ATFM is now able to handle multiple source mechanisms, either individually or jointly, which include earthquake, submarine landslide, meteo-tsunami and tidal forcing. As for earthquakes, the source can be a single unit source or multiple, interacting source blocks. Horizontal slip contribution can be added to the sea-floor displacement. The model now includes submarine landslide physics, modeling the source either as a rigid slump, or as a viscous fluid. Additional shallow-water physics have been implemented for the viscous submarine landslides. With rigid slumping, any trajectory can be followed. As for meteo-tsunami, the forcing mechanism is capable of following any trajectory shape. Wind stress physics has also been implemented for the meteo-tsunami case, if required. As an example of multiple

  9. Interactive physically-based structural modeling of hydrocarbon systems

    International Nuclear Information System (INIS)

    Bosson, Mael; Grudinin, Sergei; Bouju, Xavier; Redon, Stephane

    2012-01-01

    Hydrocarbon systems have been intensively studied via numerical methods, including electronic structure computations, molecular dynamics and Monte Carlo simulations. Typically, these methods require an initial structural model (atomic positions and types, topology, etc.) that may be produced using scripts and/or modeling tools. For many systems, however, these building methods may be ineffective, as the user may have to specify the positions of numerous atoms while maintaining structural plausibility. In this paper, we present an interactive physically-based modeling tool to construct structural models of hydrocarbon systems. As the user edits the geometry of the system, atomic positions are also influenced by the Brenner potential, a well-known bond-order reactive potential. In order to be able to interactively edit systems containing numerous atoms, we introduce a new adaptive simulation algorithm, as well as a novel algorithm to incrementally update the forces and the total potential energy based on the list of updated relative atomic positions. The computational cost of the adaptive simulation algorithm depends on user-defined error thresholds, and our potential update algorithm depends linearly with the number of updated bonds. This allows us to enable efficient physically-based editing, since the computational cost is decoupled from the number of atoms in the system. We show that our approach may be used to effectively build realistic models of hydrocarbon structures that would be difficult or impossible to produce using other tools.

  10. Collider constraints on interactions of dark energy with the standard model

    Energy Technology Data Exchange (ETDEWEB)

    Brax, P. [CEA, IPhT, CNRS, Gif-sur-Yvette (France). Inst. de Physique Theorique; Burrage, C. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Davis, A.C.; Seery, D. [Cambridge Univ. (United Kingdom). Dept. of Applied Mathematics and Theoretical Physics; Weltman, A. (eds.) [Cambridge Univ. (United Kingdom). Dept. of Applied Mathematics and Theoretical Physics; Cape Town Univ. (South Africa). Dept. of Mathematics and Applied Mathematics

    2009-04-15

    We study models in which a light scalar dark energy particle couples to the gauge fields of the electroweak force, the photon, Z, and W{sup {+-}} bosons. Our analysis applies to a large class of interacting dark energy models, including those in which the dark energy mass can be adjusted to evade fifth-force bounds by the so-called ''chameleon'' mechanism. We conclude that - with the usual choice of Higgs sector - electroweak precision observables are screened from the indirect effects of dark energy, making such corrections effectively unobservable at present-day colliders, and limiting the dark energy discovery potential of any future International Linear Collider. We show that a similar screening effect applies to processes mediated by flavour-changing neutral currents, which can be traced to the Glashow-Iliopoulos-Maiani mechanism. However, Higgs boson production at the Large Hadron Collider via weak boson fusion may receive observable corrections. (orig.)

  11. Modeling mechanical interactions in growing populations of rod-shaped bacteria

    Science.gov (United States)

    Winkle, James J.; Igoshin, Oleg A.; Bennett, Matthew R.; Josić, Krešimir; Ott, William

    2017-10-01

    Advances in synthetic biology allow us to engineer bacterial collectives with pre-specified characteristics. However, the behavior of these collectives is difficult to understand, as cellular growth and division as well as extra-cellular fluid flow lead to complex, changing arrangements of cells within the population. To rationally engineer and control the behavior of cell collectives we need theoretical and computational tools to understand their emergent spatiotemporal dynamics. Here, we present an agent-based model that allows growing cells to detect and respond to mechanical interactions. Crucially, our model couples the dynamics of cell growth to the cell’s environment: Mechanical constraints can affect cellular growth rate and a cell may alter its behavior in response to these constraints. This coupling links the mechanical forces that influence cell growth and emergent behaviors in cell assemblies. We illustrate our approach by showing how mechanical interactions can impact the dynamics of bacterial collectives growing in microfluidic traps.

  12. Stochastic modeling of mode interactions via linear parabolized stability equations

    Science.gov (United States)

    Ran, Wei; Zare, Armin; Hack, M. J. Philipp; Jovanovic, Mihailo

    2017-11-01

    Low-complexity approximations of the Navier-Stokes equations have been widely used in the analysis of wall-bounded shear flows. In particular, the parabolized stability equations (PSE) and Floquet theory have been employed to capture the evolution of primary and secondary instabilities in spatially-evolving flows. We augment linear PSE with Floquet analysis to formally treat modal interactions and the evolution of secondary instabilities in the transitional boundary layer via a linear progression. To this end, we leverage Floquet theory by incorporating the primary instability into the base flow and accounting for different harmonics in the flow state. A stochastic forcing is introduced into the resulting linear dynamics to model the effect of nonlinear interactions on the evolution of modes. We examine the H-type transition scenario to demonstrate how our approach can be used to model nonlinear effects and capture the growth of the fundamental and subharmonic modes observed in direct numerical simulations and experiments.

  13. Optical pulling and pushing forces exerted on silicon nanospheres with strong coherent interaction between electric and magnetic resonances.

    Science.gov (United States)

    Liu, Hongfeng; Panmai, Mingcheng; Peng, Yuanyuan; Lan, Sheng

    2017-05-29

    We investigated theoretically and numerically the optical pulling and pushing forces acting on silicon (Si) nanospheres (NSs) with strong coherent interaction between electric and magnetic resonances. We examined the optical pulling and pushing forces exerted on Si NSs by two interfering waves and revealed the underlying physical mechanism from the viewpoint of electric- and magnetic-dipole manipulation. As compared with a polystyrene (PS) NS, it was found that the optical pulling force for a Si NS with the same size is enlarged by nearly two orders of magnitude. In addition to the optical pulling force appearing at the long-wavelength side of the magnetic dipole resonance, very large optical pushing force is observed at the magnetic quadrupole resonance. The correlation between the optical pulling/pushing force and the directional scattering characterized by the ratio of the forward to backward scattering was revealed. More interestingly, it was found that the high-order electric and magnetic resonances in large Si NSs play an important role in producing optical pulling force which can be generated by not only s-polarized wave but also p-polarized one. Our finding indicates that the strong coherent interaction between the electric and magnetic resonances existing in nanoparticles with large refractive indices can be exploited to manipulate the optical force acting on them and the correlation between the optical force and the directional scattering can be used as guidance. The engineering and manipulation of optical forces will find potential applications in the trapping, transport and sorting of nanoparticles.

  14. Model and experimental vizualisation of a bubble interacting with an inclined wall

    Science.gov (United States)

    Podvin, Berengere; Khoja, Suleman; Attinger, Daniel; Moraga, Francisco

    2006-11-01

    We describe the motion of an air bubble rising through water as it interacts with a wall of variable inclination. The bubble diameter varies about O(1) mm. We use lubrication theory to determine the modification of the bubble interface and compute the hydrodynamic force exerted by the wall. The present work is an extension of Moraga et al's model [Computers and Fluids 2006], which was devised for a horizontal wall. The predictions of the model are checked against experimental visualizations. The influence of the Weber number, Reynolds number and wall inclination is examined

  15. Visualising the Micro World of Chemical/Geochemical Interactions Using Atomic Force Microscopy (AFM)

    Energy Technology Data Exchange (ETDEWEB)

    Graham, G M; Sorbie, K S

    1997-12-31

    Scanning force microscopy, in particular AFM (Atomic Force Microscopy), provides a particular useful and interesting tool for the examination of surface structure at the near-atomic level. AFM is particularly well suited to the study of interactions at the surface in aqueous solutions using real time in-situ measurements. In this paper there is presented AFM images showing in situ crystal growth from supersaturated BaSO{sub 4} solutions onto the surface of barite. Growth structures in the form of spiral crystal growth features, presumably originating from screw dislocations, are illustrated. AFM images of novel scale crystal growth inhibition experiments are presented. Examination of the manner in which generically different species adsorb onto growth structures may help to explain mechanistic differences in the way which different inhibitor species perform against barium sulphate scale formation. Adsorption of polyacrylamide species onto mica surfaces have been viewed. The general utility of AFM to a number of other common surface interactions in oil field chemistry will be discussed. 17 refs., 3 figs.

  16. Research on Evacuation Based on Social Force Model

    Science.gov (United States)

    Liu, W.; Deng, Z.; Li, W.; Lin, J.

    2017-09-01

    Crowded centers always cause personnel casualties in evacuation operations. Stampede events often occur by hit, squeeze and crush due to panic. It is of vital important to alleviate such situation. With the deepening of personnel evacuation research, more and more researchers are committed to study individual behaviors and self-organization phenomenon in evacuation process. The study mainly includes: 1, enrich the social force model from different facets such as visual, psychological, external force to descript more realistic evacuation; 2, research on causes and effects of self - organization phenomenon. In this paper, we focus on disorder motion that occurs in the crowded indoor publics, especially the narrow channel and safety exits and other special arteries. We put forward the improved social force model to depict pedestrians' behaviors, an orderly speed-stratification evacuation method to solve disorder problem, and shape-changed export to alleviate congestion. The result of this work shows an improvement of evacuation efficiency by 19.5 %. Guiding pedestrians' direction to slow down the influence of social forces has a guidance function in improving the efficiency of indoor emergency evacuation.

  17. Polyphilic Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project 7

    Directory of Open Access Journals (Sweden)

    Christopher Peschel

    2017-09-01

    Full Text Available We investigated the effect of fluorinated molecules on dipalmitoylphosphatidylcholine (DPPC bilayers by force-field molecular dynamics simulations. In the first step, we developed all-atom force-field parameters for additive molecules in membranes to enable an accurate description of those systems. On the basis of this force field, we performed extensive simulations of various bilayer systems containing different additives. The additive molecules were chosen to be of different size and shape, and they included small molecules such as perfluorinated alcohols, but also more complex molecules. From these simulations, we investigated the structural and dynamic effects of the additives on the membrane properties, as well as the behavior of the additive molecules themselves. Our results are in good agreement with other theoretical and experimental studies, and they contribute to a microscopic understanding of interactions, which might be used to specifically tune membrane properties by additives in the future.

  18. Finite element modeling and experimentation of bone drilling forces

    International Nuclear Information System (INIS)

    Lughmani, W A; Bouazza-Marouf, K; Ashcroft, I

    2013-01-01

    Bone drilling is an essential part of many orthopaedic surgery procedures, including those for internal fixation and for attaching prosthetics. Estimation and control of bone drilling forces are critical to prevent drill breakthrough, excessive heat generation, and mechanical damage to the bone. This paper presents a 3D finite element (FE) model for prediction of thrust forces experienced during bone drilling. The model incorporates the dynamic characteristics involved in the process along with the accurate geometrical considerations. The average critical thrust forces and torques obtained using FE analysis, for set of machining parameters are found to be in good agreement with the experimental results

  19. Measuring Forces between Oxide Surfaces Using the Atomic Force Microscope

    DEFF Research Database (Denmark)

    Pedersen, Henrik Guldberg; Høj, Jakob Weiland

    1996-01-01

    The interactions between colloidal particles play a major role in processing of ceramics, especially in casting processes. With the Atomic Force Microscope (AFM) it is possible to measure the inter-action force between a small oxide particle (a few micron) and a surface as function of surface...

  20. Quantum mechanical force field for water with explicit electronic polarization.

    Science.gov (United States)

    Han, Jaebeom; Mazack, Michael J M; Zhang, Peng; Truhlar, Donald G; Gao, Jiali

    2013-08-07

    A quantum mechanical force field (QMFF) for water is described. Unlike traditional approaches that use quantum mechanical results and experimental data to parameterize empirical potential energy functions, the present QMFF uses a quantum mechanical framework to represent intramolecular and intermolecular interactions in an entire condensed-phase system. In particular, the internal energy terms used in molecular mechanics are replaced by a quantum mechanical formalism that naturally includes electronic polarization due to intermolecular interactions and its effects on the force constants of the intramolecular force field. As a quantum mechanical force field, both intermolecular interactions and the Hamiltonian describing the individual molecular fragments can be parameterized to strive for accuracy and computational efficiency. In this work, we introduce a polarizable molecular orbital model Hamiltonian for water and for oxygen- and hydrogen-containing compounds, whereas the electrostatic potential responsible for intermolecular interactions in the liquid and in solution is modeled by a three-point charge representation that realistically reproduces the total molecular dipole moment and the local hybridization contributions. The present QMFF for water, which is called the XP3P (explicit polarization with three-point-charge potential) model, is suitable for modeling both gas-phase clusters and liquid water. The paper demonstrates the performance of the XP3P model for water and proton clusters and the properties of the pure liquid from about 900 × 10(6) self-consistent-field calculations on a periodic system consisting of 267 water molecules. The unusual dipole derivative behavior of water, which is incorrectly modeled in molecular mechanics, is naturally reproduced as a result of an electronic structural treatment of chemical bonding by XP3P. We anticipate that the XP3P model will be useful for studying proton transport in solution and solid phases as well as across

  1. Predicting human chronically paralyzed muscle force: a comparison of three mathematical models.

    Science.gov (United States)

    Frey Law, Laura A; Shields, Richard K

    2006-03-01

    Chronic spinal cord injury (SCI) induces detrimental musculoskeletal adaptations that adversely affect health status, ranging from muscle paralysis and skin ulcerations to osteoporosis. SCI rehabilitative efforts may increasingly focus on preserving the integrity of paralyzed extremities to maximize health quality using electrical stimulation for isometric training and/or functional activities. Subject-specific mathematical muscle models could prove valuable for predicting the forces necessary to achieve therapeutic loading conditions in individuals with paralyzed limbs. Although numerous muscle models are available, three modeling approaches were chosen that can accommodate a variety of stimulation input patterns. To our knowledge, no direct comparisons between models using paralyzed muscle have been reported. The three models include 1) a simple second-order linear model with three parameters and 2) two six-parameter nonlinear models (a second-order nonlinear model and a Hill-derived nonlinear model). Soleus muscle forces from four individuals with complete, chronic SCI were used to optimize each model's parameters (using an increasing and decreasing frequency ramp) and to assess the models' predictive accuracies for constant and variable (doublet) stimulation trains at 5, 10, and 20 Hz in each individual. Despite the large differences in modeling approaches, the mean predicted force errors differed only moderately (8-15% error; P=0.0042), suggesting physiological force can be adequately represented by multiple mathematical constructs. The two nonlinear models predicted specific force characteristics better than the linear model in nearly all stimulation conditions, with minimal differences between the two nonlinear models. Either nonlinear mathematical model can provide reasonable force estimates; individual application needs may dictate the preferred modeling strategy.

  2. Rotary ultrasonic machining of CFRP: a mechanistic predictive model for cutting force.

    Science.gov (United States)

    Cong, W L; Pei, Z J; Sun, X; Zhang, C L

    2014-02-01

    Cutting force is one of the most important output variables in rotary ultrasonic machining (RUM) of carbon fiber reinforced plastic (CFRP) composites. Many experimental investigations on cutting force in RUM of CFRP have been reported. However, in the literature, there are no cutting force models for RUM of CFRP. This paper develops a mechanistic predictive model for cutting force in RUM of CFRP. The material removal mechanism of CFRP in RUM has been analyzed first. The model is based on the assumption that brittle fracture is the dominant mode of material removal. CFRP micromechanical analysis has been conducted to represent CFRP as an equivalent homogeneous material to obtain the mechanical properties of CFRP from its components. Based on this model, relationships between input variables (including ultrasonic vibration amplitude, tool rotation speed, feedrate, abrasive size, and abrasive concentration) and cutting force can be predicted. The relationships between input variables and important intermediate variables (indentation depth, effective contact time, and maximum impact force of single abrasive grain) have been investigated to explain predicted trends of cutting force. Experiments are conducted to verify the model, and experimental results agree well with predicted trends from this model. Copyright © 2013 Elsevier B.V. All rights reserved.

  3. Interaction forces between salivary proteins and Streptococcus mutans with and without antigen I/II

    NARCIS (Netherlands)

    Xu, C.P.; Belt-Gritter, van de B.; Dijkstra, R.J.B.; Norde, W.; Mei, van der H.C.; Busscher, H.J.

    2007-01-01

    The antigen I/II family of surface proteins is expressed by oral streptococci, including Streptococcus mutans, and mediates specific binding to, among others, salivary films. The aim of this study was to investigate the interaction forces between salivary proteins and S. mutans with (LT11) and

  4. Influence of atomic force microscope tip-sample interaction on the study of scaling behavior

    NARCIS (Netherlands)

    Aue, J.; de Hosson, J.T.M.

    1997-01-01

    Images acquired with atomic force microscopy are based on tip-sample interaction. It is shown that using scanning probe techniques for determining scaling parameters of a surface leads to an underestimate of the actual scaling dimension, due to the dilation of tip and surface. How much we

  5. Climate forcings and climate sensitivities diagnosed from atmospheric global circulation models

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, Bruce T. [Boston University, Department of Geography and Environment, Boston, MA (United States); Knight, Jeff R.; Ringer, Mark A. [Met Office Hadley Centre, Exeter (United Kingdom); Deser, Clara; Phillips, Adam S. [National Center for Atmospheric Research, Boulder, CO (United States); Yoon, Jin-Ho [University of Maryland, Cooperative Institute for Climate and Satellites, Earth System Science Interdisciplinary Center, College Park, MD (United States); Cherchi, Annalisa [Centro Euro-Mediterraneo per i Cambiamenti Climatici, and Istituto Nazionale di Geofisica e Vulcanologia, Bologna (Italy)

    2010-12-15

    Understanding the historical and future response of the global climate system to anthropogenic emissions of radiatively active atmospheric constituents has become a timely and compelling concern. At present, however, there are uncertainties in: the total radiative forcing associated with changes in the chemical composition of the atmosphere; the effective forcing applied to the climate system resulting from a (temporary) reduction via ocean-heat uptake; and the strength of the climate feedbacks that subsequently modify this forcing. Here a set of analyses derived from atmospheric general circulation model simulations are used to estimate the effective and total radiative forcing of the observed climate system due to anthropogenic emissions over the last 50 years of the twentieth century. They are also used to estimate the sensitivity of the observed climate system to these emissions, as well as the expected change in global surface temperatures once the climate system returns to radiative equilibrium. Results indicate that estimates of the effective radiative forcing and total radiative forcing associated with historical anthropogenic emissions differ across models. In addition estimates of the historical sensitivity of the climate to these emissions differ across models. However, results suggest that the variations in climate sensitivity and total climate forcing are not independent, and that the two vary inversely with respect to one another. As such, expected equilibrium temperature changes, which are given by the product of the total radiative forcing and the climate sensitivity, are relatively constant between models, particularly in comparison to results in which the total radiative forcing is assumed constant. Implications of these results for projected future climate forcings and subsequent responses are also discussed. (orig.)

  6. Motivating forces of human actions. Neuroimaging reward and social interaction.

    Science.gov (United States)

    Walter, Henrik; Abler, Birgit; Ciaramidaro, Angela; Erk, Susanne

    2005-11-15

    In neuroeconomics, reward and social interaction are central concepts to understand what motivates human behaviour. Both concepts are investigated in humans using neuroimaging methods. In this paper, we provide an overview about these results and discuss their relevance for economic behaviour. For reward it has been shown that a system exists in humans that is involved in predicting rewards and thus guides behaviour, involving a circuit including the striatum, the orbitofrontal cortex and the amygdala. Recent studies on social interaction revealed a mentalizing system representing the mental states of others. A central part of this system is the medial prefrontal cortex, in particular the anterior paracingulate cortex. The reward as well as the mentalizing system is engaged in economic decision-making. We will discuss implications of this study for neuromarketing as well as general implications of these results that may help to provide deeper insights into the motivating forces of human behaviour.

  7. Security force-adversary engagement simulation

    International Nuclear Information System (INIS)

    Bennett, H.A.

    1975-01-01

    A dynamic simulation of a security force-adversary engagement has been developed to obtain a better understanding of the complexities involved in security systems. Factors affecting engagement outcomes were identified and interrelated to represent an ambush of an escorted nuclear fuel truck convoy by an adversary group. Other forms of engagement such as assault and skirmish also can be simulated through suitable parameter changes. The dynamic model can provide a relative evaluation of changes in security force levels, equipment, training, and tactics. Continued application and subsequent refinements of the model are expected to augment the understanding of component interaction within a guard-based security system

  8. Fusion of intraoperative force sensoring, surface reconstruction and biomechanical modeling

    Science.gov (United States)

    Röhl, S.; Bodenstedt, S.; Küderle, C.; Suwelack, S.; Kenngott, H.; Müller-Stich, B. P.; Dillmann, R.; Speidel, S.

    2012-02-01

    Minimally invasive surgery is medically complex and can heavily benefit from computer assistance. One way to help the surgeon is to integrate preoperative planning data into the surgical workflow. This information can be represented as a customized preoperative model of the surgical site. To use it intraoperatively, it has to be updated during the intervention due to the constantly changing environment. Hence, intraoperative sensor data has to be acquired and registered with the preoperative model. Haptic information which could complement the visual sensor data is still not established. In addition, biomechanical modeling of the surgical site can help in reflecting the changes which cannot be captured by intraoperative sensors. We present a setting where a force sensor is integrated into a laparoscopic instrument. In a test scenario using a silicone liver phantom, we register the measured forces with a reconstructed surface model from stereo endoscopic images and a finite element model. The endoscope, the instrument and the liver phantom are tracked with a Polaris optical tracking system. By fusing this information, we can transfer the deformation onto the finite element model. The purpose of this setting is to demonstrate the principles needed and the methods developed for intraoperative sensor data fusion. One emphasis lies on the calibration of the force sensor with the instrument and first experiments with soft tissue. We also present our solution and first results concerning the integration of the force sensor as well as accuracy to the fusion of force measurements, surface reconstruction and biomechanical modeling.

  9. Examining platelet-fibrin interactions during traumatic shock in a swine model using platelet contractile force and clot elastic modulus.

    Science.gov (United States)

    White, Nathan J; Martin, Erika J; Brophy, Donald F; Ward, Kevin R

    2011-07-01

    A significant proportion of severely injured patients develop early coagulopathy, characterized by abnormal clot formation, which impairs resuscitation and increases mortality. We have previously demonstrated an isolated decrease in clot strength by thrombelastography in a swine model of nonresuscitated traumatic shock. In order to more closely examine platelet-fibrin interactions in this setting, we define the observed decrease in clot strength in terms of platelet-induced clot contraction and clot elastic modulus using the Hemostasis Analysis System (HAS) (Hemodyne Inc., Richmond, Virginia, USA). Whole blood was sampled for HAS measurements, metabolic measurements, cell counts, and fibrinogen concentration at baseline prior to injury and again at a predetermined level of traumatic shock defined by oxygen debt. Male swine (N=17) received femur fracture and controlled arterial hemorrhage to achieve an oxygen debt of 80 ml/kg. Platelet counts were unchanged, but fibrinogen concentration was reduced significantly during shock (167.6 vs. 66.7 mg/dl, P=0.0007). Platelet contractile force generated during clot formation did not change during shock (11.7 vs. 10.4 kdynes, P=0.41), but clot elastic modulus was dynamically altered, resulting in a lower final value (22.9 vs. 17.3 kdynes/cm, Pshock, platelet function was preserved, whereas terminal clot elastic modulus was reduced during shock in a manner most consistent with early changes in the mechanical properties of the developing fibrin fiber network.

  10. Anharmonic 1D actuator model including electrostatic and Casimir forces with fractional damping perturbed by an external force

    Science.gov (United States)

    Mansoori Kermani, Maryam; Dehestani, Maryam

    2018-06-01

    We modeled a one-dimensional actuator including the Casimir and electrostatic forces perturbed by an external force with fractional damping. The movable electrode was assumed to oscillate by an anharmonic elastic force originated from Murrell-Mottram or Lippincott potential. The nonlinear equations have been solved via the Adomian decomposition method. The behavior of the displacement of the electrode from equilibrium position, its velocity and acceleration were described versus time. Also, the changes of the displacement have been investigated according to the frequency of the external force and the voltage of the electrostatic force. The convergence of the Adomian method and the effect of the orders of expansion on the displacement versus time, frequency, and voltage were discussed. The pull-in parameter was obtained and compared with the other models in the literature. This parameter was described versus the equilibrium position and anharmonicity constant.

  11. Anharmonic 1D actuator model including electrostatic and Casimir forces with fractional damping perturbed by an external force

    Science.gov (United States)

    Mansoori Kermani, Maryam; Dehestani, Maryam

    2018-03-01

    We modeled a one-dimensional actuator including the Casimir and electrostatic forces perturbed by an external force with fractional damping. The movable electrode was assumed to oscillate by an anharmonic elastic force originated from Murrell-Mottram or Lippincott potential. The nonlinear equations have been solved via the Adomian decomposition method. The behavior of the displacement of the electrode from equilibrium position, its velocity and acceleration were described versus time. Also, the changes of the displacement have been investigated according to the frequency of the external force and the voltage of the electrostatic force. The convergence of the Adomian method and the effect of the orders of expansion on the displacement versus time, frequency, and voltage were discussed. The pull-in parameter was obtained and compared with the other models in the literature. This parameter was described versus the equilibrium position and anharmonicity constant.

  12. Interactive forces between lignin and cellulase as determined by atomic force microscopy

    OpenAIRE

    Qin, Chengrong; Clarke, Kimberley; Li, Kecheng

    2014-01-01

    Background Lignin is a complex polymer which inhibits the enzymatic conversion of cellulose to glucose in lignocellulose biomass for biofuel production. Cellulase enzymes irreversibly bind to lignin, deactivating the enzyme and lowering the overall activity of the hydrolyzing reaction solution. Within this study, atomic force microscopy (AFM) is used to compare the adhesion forces between cellulase and lignin with the forces between cellulase and cellulose, and to study the moiety groups invo...

  13. Clinical Decision Support Model to Predict Occlusal Force in Bruxism Patients.

    Science.gov (United States)

    Thanathornwong, Bhornsawan; Suebnukarn, Siriwan

    2017-10-01

    The aim of this study was to develop a decision support model for the prediction of occlusal force from the size and color of articulating paper markings in bruxism patients. We used the information from the datasets of 30 bruxism patients in which digital measurements of the size and color of articulating paper markings (12-µm Hanel; Coltene/Whaledent GmbH, Langenau, Germany) on canine protected hard stabilization splints were measured in pixels (P) and in red (R), green (G), and blue (B) values using Adobe Photoshop software (Adobe Systems, San Jose, CA, USA). The occlusal force (F) was measured using T-Scan III (Tekscan Inc., South Boston, MA, USA). The multiple regression equation was applied to predict F from the P and RGB. Model evaluation was performed using the datasets from 10 new patients. The patient's occlusal force measured by T-Scan III was used as a 'gold standard' to compare with the occlusal force predicted by the multiple regression model. The results demonstrate that the correlation between the occlusal force and the pixels and RGB of the articulating paper markings was positive (F = 1.62×P + 0.07×R -0.08×G + 0.08×B + 4.74; R 2 = 0.34). There was a high degree of agreement between the occlusal force of the patient measured using T-Scan III and the occlusal force predicted by the model (kappa value = 0.82). The results obtained demonstrate that the multiple regression model can predict the occlusal force using the digital values for the size and color of the articulating paper markings in bruxism patients.

  14. Clinical Decision Support Model to Predict Occlusal Force in Bruxism Patients

    Science.gov (United States)

    Thanathornwong, Bhornsawan

    2017-01-01

    Objectives The aim of this study was to develop a decision support model for the prediction of occlusal force from the size and color of articulating paper markings in bruxism patients. Methods We used the information from the datasets of 30 bruxism patients in which digital measurements of the size and color of articulating paper markings (12-µm Hanel; Coltene/Whaledent GmbH, Langenau, Germany) on canine protected hard stabilization splints were measured in pixels (P) and in red (R), green (G), and blue (B) values using Adobe Photoshop software (Adobe Systems, San Jose, CA, USA). The occlusal force (F) was measured using T-Scan III (Tekscan Inc., South Boston, MA, USA). The multiple regression equation was applied to predict F from the P and RGB. Model evaluation was performed using the datasets from 10 new patients. The patient's occlusal force measured by T-Scan III was used as a ‘gold standard’ to compare with the occlusal force predicted by the multiple regression model. Results The results demonstrate that the correlation between the occlusal force and the pixels and RGB of the articulating paper markings was positive (F = 1.62×P + 0.07×R –0.08×G + 0.08×B + 4.74; R2 = 0.34). There was a high degree of agreement between the occlusal force of the patient measured using T-Scan III and the occlusal force predicted by the model (kappa value = 0.82). Conclusions The results obtained demonstrate that the multiple regression model can predict the occlusal force using the digital values for the size and color of the articulating paper markings in bruxism patients. PMID:29181234

  15. Integral bubble and jet models with pressure forces

    Science.gov (United States)

    Vulfson, A. N.; Nikolaev, P. V.

    2017-07-01

    Modifications of integral bubble and jet models including the pressure force are proposed. Exact solutions are found for the modified model of a stationary convective jet from a point source of buoyancy and momentum. The exact solutions are compared against analytical solutions of the integral models for a stationary jet that are based on the approximation of the vertical boundary layer. It is found that the modified integral models of convective jets retain the power-law dependences on the altitude for the vertical velocity and buoyancy obtained in classical models. For a buoyant jet in a neutrally stratified atmosphere, the inclusion of the pressure force increases the amplitude of buoyancy and decreases the amplitude of vertical velocity. The total amplitude change is about 10%. It is shown that in this model there is a dynamic invariant expressing the law of a uniform distribution of the potential and kinetic energy along the jet axis. For a spontaneous jet rising in an unstably stratified atmosphere, the inclusion of the pressure force retains the amplitude of buoyancy and increases the amplitude of vertical velocity by about 15%. It is shown that in the model of a spontaneous jet there is a dynamic invariant expressing the law of a uniform distribution of the available potential and kinetic energy along the jet axis. The results are of interest for the problems of anthropogenic pollution diffusion in the air and water environments and the formulation of models for statistical and stochastic ensembles of thermals in a mass-flux parameterization of turbulent moments.

  16. Salt bridge interactions within the β2 integrin α7 helix mediate force-induced binding and shear resistance ability.

    Science.gov (United States)

    Zhang, Xiao; Li, Linda; Li, Ning; Shu, Xinyu; Zhou, Lüwen; Lü, Shouqin; Chen, Shenbao; Mao, Debin; Long, Mian

    2018-01-01

    The functional performance of the αI domain α 7 helix in β 2 integrin activation depends on the allostery of the α 7 helix, which axially slides down; therefore, it is critical to elucidate what factors regulate the allostery. In this study, we determined that there were two conservative salt bridge interaction pairs that constrain both the upper and bottom ends of the α 7 helix. Molecular dynamics (MD) simulations for three β 2 integrin members, lymphocyte function-associated antigen-1 (LFA-1; α L β 2 ), macrophage-1 antigen (Mac-1; α M β 2 ) and α x β 2 , indicated that the magnitude of the salt bridge interaction is related to the stability of the αI domain and the strength of the corresponding force-induced allostery. The disruption of the salt bridge interaction, especially with double mutations in both salt bridges, significantly reduced the force-induced allostery time for all three members. The effects of salt bridge interactions of the αI domain α 7 helix on β 2 integrin conformational stability and allostery were experimentally validated using Mac-1 constructs. The results demonstrated that salt bridge mutations did not alter the conformational state of Mac-1, but they did increase the force-induced ligand binding and shear resistance ability, which was consistent with MD simulations. This study offers new insight into the importance of salt bridge interaction constraints of the αI domain α 7 helix and external force for β 2 integrin function. © 2017 Federation of European Biochemical Societies.

  17. An Approach for Simulation of the Muscle Force Modeling It by Summation of Motor Unit Contraction Forces

    Directory of Open Access Journals (Sweden)

    Rositsa Raikova

    2013-01-01

    Full Text Available Muscle force is due to the cumulative effect of repetitively contracting motor units (MUs. To simulate the contribution of each MU to whole muscle force, an approach implemented in a novel computer program is proposed. The individual contraction of an MU (the twitch is modeled by a 6-parameter analytical function previously proposed; the force of one MU is a sum of its contractions due to an applied stimulation pattern, and the muscle force is the sum of the active MUs. The number of MUs, the number of slow, fast-fatigue-resistant, and fast-fatigable MUs, and their six parameters as well as a file with stimulation patterns for each MU are inputs for the developed software. Different muscles and different firing patterns can be simulated changing the input data. The functionality of the program is illustrated with a model consisting of 30 MUs of rat medial gastrocnemius muscle. The twitches of these MUs were experimentally measured and modeled. The forces of the MUs and of the whole muscle were simulated using different stimulation patterns that included different regular, irregular, synchronous, and asynchronous firing patterns of MUs. The size principle of MUs for recruitment and derecruitment was also demonstrated using different stimulation paradigms.

  18. Prediction of the Cabibbo angle in the vector model for electroweak interactions

    International Nuclear Information System (INIS)

    Reifler, F.; Morris, R.

    1985-01-01

    In a recent paper we presented a vector model for the electroweak interactions which is similar to the Weinberg--Salam model but differs in the following features. (1) In the vector model all fermion wave functions are bispinors or equivalently isotropic Yang--Mills triplets (as opposed to a state vector composed of a spinor and bispinors in the Weinberg--Salam model). Particles are distinguished by their Higgs fields. (2) The vector model predicts that sin 2 theta/sub W/ = 1/4 , where theta/sub W/ is the Weinberg angle. (3) The vector model accounts for conservation of lepton number, electric charge, and baryon number. (4) In the vector model an antiparticle is characterized by opposite lepton number, electric charge, and baryon number; yet both particles and antiparticles propagate forward in time with positive energies. In this paper we extend the vector theory to include interactions between fermions and the gauge bosons mediating the electroweak force. We model the bosons as Yang--Mills fields with their own Higgs fields. We further propose a specific configuration of Higgs fields for the u,d,s, and c quarks. With these features, the model accounts for electroweak transitions of quarks and leptons and predicts that cos theta/sub C/ = 0.9744, where theta/sub C/ is the Cabibbo angle. We further show that the vector model accounts for the intrinsic parity of particles and antiparticles, and parity violations and CPT invariance for electroweak interactions

  19. Neural control of muscle force: indications from a simulation model

    Science.gov (United States)

    Luca, Carlo J. De

    2013-01-01

    We developed a model to investigate the influence of the muscle force twitch on the simulated firing behavior of motoneurons and muscle force production during voluntary isometric contractions. The input consists of an excitatory signal common to all the motor units in the pool of a muscle, consistent with the “common drive” property. Motor units respond with a hierarchically structured firing behavior wherein at any time and force, firing rates are inversely proportional to recruitment threshold, as described by the “onion skin” property. Time- and force-dependent changes in muscle force production are introduced by varying the motor unit force twitches as a function of time or by varying the number of active motor units. A force feedback adjusts the input excitation, maintaining the simulated force at a target level. The simulations replicate motor unit behavior characteristics similar to those reported in previous empirical studies of sustained contractions: 1) the initial decrease and subsequent increase of firing rates, 2) the derecruitment and recruitment of motor units throughout sustained contractions, and 3) the continual increase in the force fluctuation caused by the progressive recruitment of larger motor units. The model cautions the use of motor unit behavior at recruitment and derecruitment without consideration of changes in the muscle force generation capacity. It describes an alternative mechanism for the reserve capacity of motor units to generate extraordinary force. It supports the hypothesis that the control of motoneurons remains invariant during force-varying and sustained isometric contractions. PMID:23236008

  20. GPU-Powered Modelling of Nonlinear Effects due to Head-On Beam-Beam Interactions in High-Energy Hadron Colliders.

    CERN Document Server

    Furuseth, Sondre

    2017-01-01

    The performance of high-energy circular hadron colliders, as the Large Hadron Collider, is limited by beam-beam interactions. The strongly nonlinear force between the two opposing beams causes diverging Hamiltonians and resonances, which can lead to a reduction of the lifetime of the beams. The nonlinearity makes the effect of the force difficult to study analytically, even at first order. Numerical models are therefore needed to evaluate the overall effect of different configurations of the machines. This report discusses results from an implementation of the weak-strong model, studying the effects of head-on beam-beam interactions. The assumptions has been shown to be valid for configurations where the growth and losses of the beam are small. The tracking has been done using an original code which applies graphic cards to reduce the computation time. The bunches in the beams have been modelled cylindrically symmetrical, based on a Gaussian distribution in three dimensions. This choice fits well with bunches...

  1. Driving-forces model on individual behavior in scenarios considering moving threat agents

    Science.gov (United States)

    Li, Shuying; Zhuang, Jun; Shen, Shifei; Wang, Jia

    2017-09-01

    The individual behavior model is a contributory factor to improve the accuracy of agent-based simulation in different scenarios. However, few studies have considered moving threat agents, which often occur in terrorist attacks caused by attackers with close-range weapons (e.g., sword, stick). At the same time, many existing behavior models lack validation from cases or experiments. This paper builds a new individual behavior model based on seven behavioral hypotheses. The driving-forces model is an extension of the classical social force model considering scenarios including moving threat agents. An experiment was conducted to validate the key components of the model. Then the model is compared with an advanced Elliptical Specification II social force model, by calculating the fitting errors between the simulated and experimental trajectories, and being applied to simulate a specific circumstance. Our results show that the driving-forces model reduced the fitting error by an average of 33.9% and the standard deviation by an average of 44.5%, which indicates the accuracy and stability of the model in the studied situation. The new driving-forces model could be used to simulate individual behavior when analyzing the risk of specific scenarios using agent-based simulation methods, such as risk analysis of close-range terrorist attacks in public places.

  2. A new image correction method for live cell atomic force microscopy

    International Nuclear Information System (INIS)

    Shen, Y; Sun, J L; Zhang, A; Hu, J; Xu, L X

    2007-01-01

    During live cell imaging via atomic force microscopy (AFM), the interactions between the AFM probe and the membrane yield distorted cell images. In this work, an image correction method was developed based on the force-distance curve and the modified Hertzian model. The normal loading and lateral forces exerted on the cell membrane by the AFM tip were both accounted for during the scanning. Two assumptions were made in modelling based on the experimental measurements: (1) the lateral force on the endothelial cells was linear to the height; (2) the cell membrane Young's modulus could be derived from the displacement measurement of a normal force curve. Results have shown that the model could be used to recover up to 30% of the actual cell height depending on the loading force. The accuracy of the model was also investigated with respect to the loading force and mechanical property of the cell membrane

  3. A strong viscous–inviscid interaction model for rotating airfoils

    DEFF Research Database (Denmark)

    Ramos García, Néstor; Sørensen, Jens Nørkær; Shen, Wen Zhong

    2014-01-01

    Two-dimensional (2D) and quasi-three dimensional (3D), steady and unsteady, viscous–inviscid interactive codes capable of predicting the aerodynamic behavior of wind turbine airfoils are presented. The model is based on a viscous–inviscid interaction technique using strong coupling between...... a boundary-layer trip or computed using an en envelope transition method. Validation of the incompressible 2D version of the code is carried out against measurements and other numerical codes for different airfoil geometries at various Reynolds numbers, ranging from 0.9 ⋅ 106 to 8.2 ⋅ 106. In the quasi-3D...... version, a parametric study on rotational effects induced by the Coriolis and centrifugal forces in the boundary-layer equations shows that the effects of rotation are to decrease the growth of the boundary-layer and delay the onset of separation, hence increasing the lift coefficient slightly while...

  4. Damping-controlled fluidelastic instability forces in multi-span tubes with loose supports

    International Nuclear Information System (INIS)

    Hassan, Marwan A.; Rogers, Robert J.; Gerber, Andrew G.

    2011-01-01

    This paper presents simulations of a loosely supported multi-span tube subjected to turbulence and fluidelastic instability forces in order to compare several time-domain fluid force models simulating the damping-controlled fluidelastic instability mechanism in tube arrays. These models include the negative damping model based on the Connors equation, fluid force coefficient-based models (Chen; Tanaka and Takahara), and two semi-analytical models (Price and Paidoussis; and Lever and Weaver). Time domain modelling challenges for each of these theories are discussed. The implemented models are validated against available experimental data. The linear simulations (without tube/support clearance) show that the Connors-equation based model exhibits the most conservative prediction of the critical flow velocity when the recommended design values for the Connors equation are used. The models are then utilized to simulate the nonlinear response of a three-span cantilever tube in a lattice bar support subjected to air crossflow. The tube is subjected to a single-phase flow passing over the spans where the flow velocity and the support clearance are varied. Special attention is paid to the tube/support interaction parameters that affect wear, such as impact forces, contact ratio, and normal work rate. As was seen for the linear cases, the reduced flow velocity at the instability threshold differs for the fluid force models considered. The investigated models do, however, exhibit similar response characteristics for the impact force, tip lift response, and work rate, except for the Connors-based model that overestimates the response and the tube/support interaction parameters for the loose support case, especially at large clearances.

  5. Identification of GMS friction model without friction force measurement

    International Nuclear Information System (INIS)

    Grami, Said; Aissaoui, Hicham

    2011-01-01

    This paper deals with an online identification of the Generalized Maxwell Slip (GMS) friction model for both presliding and sliding regime at the same time. This identification is based on robust adaptive observer without friction force measurement. To apply the observer, a new approach of calculating the filtered friction force from the measurable signals is introduced. Moreover, two approximations are proposed to get the friction model linear over the unknown parameters and an approach of suitable filtering is introduced to guarantee the continuity of the model. Simulation results are presented to prove the efficiency of the approach of identification.

  6. PyrE, an interactive fire module within the NASA-GISS Earth System Model

    Science.gov (United States)

    Mezuman, K.; Bauer, S. E.; Tsigaridis, K.

    2017-12-01

    Fires directly affect the composition of the atmosphere and Earth's radiation balance by emitting a suite of reactive gases and particles. Having an interactive fire module in an Earth System Model allows us to study the natural and anthropogenic drivers, feedbacks, and interactions of biomass burning in different time periods. To do so we have developed PyrE, the NASA-GISS interactive fire emissions model. PyrE uses the flammability, ignition, and suppression parameterization proposed by Pechony and Shindell (2009), and is coupled to a burned area and surface recovery parameterization. The burned area calculation follows CLM's approach (Li et al., 2012), paired with an offline recovery scheme based on Ent's Terrestrial Biosphere Model (Ent TBM) carbon pool turnover time. PyrE is driven by environmental variables calculated by climate simulations, population density data, MODIS fire counts and LAI retrievals, as well as GFED4s emissions. Since the model development required extensive use of reference datasets, in addition to comparing it to GFED4s BA, we evaluate it by studying the effect of fires on atmospheric composition and climate. Our results show good agreement globally, with some regional differences. Finally, we quantify the present day fire radiative forcing. The development of PyrE allowed us for the first time to interactively simulate climate and fire activity with GISS-ModelE3

  7. Molecular modeling of polymer composite-analyte interactions in electronic nose sensors

    Science.gov (United States)

    Shevade, A. V.; Ryan, M. A.; Homer, M. L.; Manfreda, A. M.; Zhou, H.; Manatt, K. S.

    2003-01-01

    We report a molecular modeling study to investigate the polymer-carbon black (CB) composite-analyte interactions in resistive sensors. These sensors comprise the JPL electronic nose (ENose) sensing array developed for monitoring breathing air in human habitats. The polymer in the composite is modeled based on its stereoisomerism and sequence isomerism, while the CB is modeled as uncharged naphthalene rings with no hydrogens. The Dreiding 2.21 force field is used for the polymer, solvent molecules and graphite parameters are assigned to the carbon black atoms. A combination of molecular mechanics (MM) and molecular dynamics (NPT-MD and NVT-MD) techniques are used to obtain the equilibrium composite structure by inserting naphthalene rings in the polymer matrix. Polymers considered for this work include poly(4-vinylphenol), polyethylene oxide, and ethyl cellulose. Analytes studied are representative of both inorganic and organic compounds. The results are analyzed for the composite microstructure by calculating the radial distribution profiles as well as for the sensor response by predicting the interaction energies of the analytes with the composites. c2003 Elsevier Science B.V. All rights reserved.

  8. Descriptor Data Bank (DDB): A Cloud Platform for Multiperspective Modeling of Protein-Ligand Interactions.

    Science.gov (United States)

    Ashtawy, Hossam M; Mahapatra, Nihar R

    2018-01-22

    Protein-ligand (PL) interactions play a key role in many life processes such as molecular recognition, molecular binding, signal transmission, and cell metabolism. Examples of interaction forces include hydrogen bonding, hydrophobic effects, steric clashes, electrostatic contacts, and van der Waals attractions. Currently, a large number of hypotheses and perspectives to model these interaction forces are scattered throughout the literature and largely forgotten. Instead, had they been assembled and utilized collectively, they would have substantially improved the accuracy of predicting binding affinity of protein-ligand complexes. In this work, we present Descriptor Data Bank (DDB), a data-driven platform on the cloud for facilitating multiperspective modeling of PL interactions. DDB is an open-access hub for depositing, hosting, executing, and sharing descriptor extraction tools and data for a large number of interaction modeling hypotheses. The platform also implements a machine-learning (ML) toolbox for automatic descriptor filtering and analysis and scoring function (SF) fitting and prediction. The descriptor filtering module is used to filter out irrelevant and/or noisy descriptors and to produce a compact subset from all available features. We seed DDB with 16 diverse descriptor extraction tools developed in-house and collected from the literature. The tools altogether generate over 2700 descriptors that characterize (i) proteins, (ii) ligands, and (iii) protein-ligand complexes. The in-house descriptors we extract are protein-specific which are based on pairwise primary and tertiary alignment of protein structures followed by clustering and trilateration. We built and used DDB's ML library to fit SFs to the in-house descriptors and those collected from the literature. We then evaluated them on several data sets that were constructed to reflect real-world drug screening scenarios. We found that multiperspective SFs that were constructed using a large number

  9. Force and Compliance Measurements on Living Cells Using Atomic Force Microscopy (AFM

    Directory of Open Access Journals (Sweden)

    Wojcikiewicz Ewa P.

    2004-01-01

    Full Text Available We describe the use of atomic force microscopy (AFM in studies of cell adhesion and cell compliance. Our studies use the interaction between leukocyte function associated antigen-1 (LFA-1/intercellular adhesion molecule-1 (ICAM-1 as a model system. The forces required to unbind a single LFA-1/ICAM-1 bond were measured at different loading rates. This data was used to determine the dynamic strength of the LFA-1/ICAM-1 complex and characterize the activation potential that this complex overcomes during its breakage. Force measurements acquired at the multiple- bond level provided insight about the mechanism of cell adhesion. In addition, the AFM was used as a microindenter to determine the mechanical properties of cells. The applications of these methods are described using data from a previous study.

  10. Sculpting proteins interactively: continual energy minimization embedded in a graphical modeling system.

    Science.gov (United States)

    Surles, M C; Richardson, J S; Richardson, D C; Brooks, F P

    1994-02-01

    We describe a new paradigm for modeling proteins in interactive computer graphics systems--continual maintenance of a physically valid representation, combined with direct user control and visualization. This is achieved by a fast algorithm for energy minimization, capable of real-time performance on all atoms of a small protein, plus graphically specified user tugs. The modeling system, called Sculpt, rigidly constrains bond lengths, bond angles, and planar groups (similar to existing interactive modeling programs), while it applies elastic restraints to minimize the potential energy due to torsions, hydrogen bonds, and van der Waals and electrostatic interactions (similar to existing batch minimization programs), and user-specified springs. The graphical interface can show bad and/or favorable contacts, and individual energy terms can be turned on or off to determine their effects and interactions. Sculpt finds a local minimum of the total energy that satisfies all the constraints using an augmented Lagrange-multiplier method; calculation time increases only linearly with the number of atoms because the matrix of constraint gradients is sparse and banded. On a 100-MHz MIPS R4000 processor (Silicon Graphics Indigo), Sculpt achieves 11 updates per second on a 20-residue fragment and 2 updates per second on an 80-residue protein, using all atoms except non-H-bonding hydrogens, and without electrostatic interactions. Applications of Sculpt are described: to reverse the direction of bundle packing in a designed 4-helix bundle protein, to fold up a 2-stranded beta-ribbon into an approximate beta-barrel, and to design the sequence and conformation of a 30-residue peptide that mimics one partner of a protein subunit interaction. Computer models that are both interactive and physically realistic (within the limitations of a given force field) have 2 significant advantages: (1) they make feasible the modeling of very large changes (such as needed for de novo design), and

  11. Martini Coarse-Grained Force Field : Extension to DNA

    NARCIS (Netherlands)

    Uusitalo, Jaakko J.; Ingolfsson, Helgi I.; Akhshi, Parisa; Tieleman, D. Peter; Marrink, Siewert J.

    We systematically parameterized a coarsegrained (CG) model for DNA that is compatible with the Martini force field. The model maps each nucleotide into six to seven CG beads and is parameterized following the Martini philosophy. The CG nonbonded interactions are based on partitioning of the

  12. INTERACTIONS: DESIGN, IMPLEMENTATION AND EVALUATION OF A COMPUTATIONAL TOOL FOR TEACHING INTERMOLECULAR FORCES IN HIGHER EDUCATION

    Directory of Open Access Journals (Sweden)

    Francisco Geraldo Barbosa

    2015-12-01

    Full Text Available Intermolecular forces are a useful concept that can explain the attraction between particulate matter as well as numerous phenomena in our lives such as viscosity, solubility, drug interactions, and dyeing of fibers. However, studies show that students have difficulty understanding this important concept, which has led us to develop a free educational software in English and Portuguese. The software can be used interactively by teachers and students, thus facilitating better understanding. Professors and students, both graduate and undergraduate, were questioned about the software quality and its intuitiveness of use, facility of navigation, and pedagogical application using a Likert scale. The results led to the conclusion that the developed computer application can be characterized as an auxiliary tool to assist teachers in their lectures and students in their learning process of intermolecular forces.

  13. Thermodynamic forces in coarse-grained simulations

    Science.gov (United States)

    Noid, William

    Atomically detailed molecular dynamics simulations have profoundly advanced our understanding of the structure and interactions in soft condensed phases. Nevertheless, despite dramatic advances in the methodology and resources for simulating atomically detailed models, low-resolution coarse-grained (CG) models play a central and rapidly growing role in science. CG models not only empower researchers to investigate phenomena beyond the scope of atomically detailed simulations, but also to precisely tailor models for specific phenomena. However, in contrast to atomically detailed simulations, which evolve on a potential energy surface, CG simulations should evolve on a free energy surface. Therefore, the forces in CG models should reflect the thermodynamic information that has been eliminated from the CG configuration space. As a consequence of these thermodynamic forces, CG models often demonstrate limited transferability and, moreover, rarely provide an accurate description of both structural and thermodynamic properties. In this talk, I will present a framework that clarifies the origin and impact of these thermodynamic forces. Additionally, I will present computational methods for quantifying these forces and incorporating their effects into CG MD simulations. As time allows, I will demonstrate applications of this framework for liquids, polymers, and interfaces. We gratefully acknowledge the support of the National Science Foundation via CHE 1565631.

  14. Interfacial force measurements using atomic force microscopy

    NARCIS (Netherlands)

    Chu, L.

    2018-01-01

    Atomic Force Microscopy (AFM) can not only image the topography of surfaces at atomic resolution, but can also measure accurately the different interaction forces, like repulsive, adhesive and lateral existing between an AFM tip and the sample surface. Based on AFM, various extended techniques have

  15. Energy exchange in systems of particles with nonreciprocal interaction

    Energy Technology Data Exchange (ETDEWEB)

    Vaulina, O. S.; Lisina, I. I., E-mail: Irina.Lisina@mail.ru; Lisin, E. A. [Russian Academy of Sciences, Joint Institute for High Temperatures (Russian Federation)

    2015-10-15

    A model is proposed to describe the sources of additional kinetic energy and its redistribution in systems of particles with a nonreciprocal interaction. The proposed model is shown to explain the qualitative specific features of the dust particle dynamics in the sheath region of an RF discharge. Prominence is given to the systems of particles with a quasi-dipole–dipole interaction, which is similar to the interaction induced by the ion focusing effects that occur in experiments on a laboratory dusty plasma, and with the shadow interaction caused by thermophoretic forces and Le Sage’s forces.

  16. Can nudging be used to quantify model sensitivities in precipitation and cloud forcing?: NUDGING AND MODEL SENSITIVITIES

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Guangxing [Pacific Northwest National Laboratory, Atmospheric Science and Global Change Division, Richland Washington USA; Wan, Hui [Pacific Northwest National Laboratory, Atmospheric Science and Global Change Division, Richland Washington USA; Zhang, Kai [Pacific Northwest National Laboratory, Atmospheric Science and Global Change Division, Richland Washington USA; Qian, Yun [Pacific Northwest National Laboratory, Atmospheric Science and Global Change Division, Richland Washington USA; Ghan, Steven J. [Pacific Northwest National Laboratory, Atmospheric Science and Global Change Division, Richland Washington USA

    2016-07-10

    Efficient simulation strategies are crucial for the development and evaluation of high resolution climate models. This paper evaluates simulations with constrained meteorology for the quantification of parametric sensitivities in the Community Atmosphere Model version 5 (CAM5). Two parameters are perturbed as illustrating examples: the convection relaxation time scale (TAU), and the threshold relative humidity for the formation of low-level stratiform clouds (rhminl). Results suggest that the fidelity and computational efficiency of the constrained simulations depend strongly on 3 factors: the detailed implementation of nudging, the mechanism through which the perturbed parameter affects precipitation and cloud, and the magnitude of the parameter perturbation. In the case of a strong perturbation in convection, temperature and/or wind nudging with a 6-hour relaxation time scale leads to non-negligible side effects due to the distorted interactions between resolved dynamics and parameterized convection, while a 1-year free running simulation can satisfactorily capture the annual mean precipitation sensitivity in terms of both global average and geographical distribution. In the case of a relatively weak perturbation the large-scale condensation scheme, results from 1-year free-running simulations are strongly affected by noise associated with internal variability, while nudging winds effectively reduces the noise, and reasonably reproduces the response of precipitation and cloud forcing to parameter perturbation. These results indicate that caution is needed when using nudged simulations to assess precipitation and cloud forcing sensitivities to parameter changes in general circulation models. We also demonstrate that ensembles of short simulations are useful for understanding the evolution of model sensitivities.

  17. Force sensor for chameleon and Casimir force experiments with parallel-plate configuration

    NARCIS (Netherlands)

    Almasi, A.; Brax, P.; Iannuzzi, D.; Sedmik, R.

    2015-01-01

    The search for non-Newtonian forces has been pursued following many different paths. Recently it was suggested that hypothetical chameleon interactions, which might explain the mechanisms behind dark energy, could be detected in a high-precision force measurement. In such an experiment, interactions

  18. Thermo-electrochemical model for forced convection air cooling of a lithium-ion battery module

    International Nuclear Information System (INIS)

    Tong, Wei; Somasundaram, Karthik; Birgersson, Erik; Mujumdar, Arun S.; Yap, Christopher

    2016-01-01

    Highlights: • Coupled thermal-electrochemical model for a Li-ion battery module resolving every functional layer in all cells. • Parametric analysis of forced convection air cooling of Li-ion battery module with a detailed multi-scale model. • Reversing/reciprocating airflow for Li-ion battery module thermal management provides uniform temperature distribution. - Abstract: Thermal management is critical for safe and reliable operation of lithium-ion battery systems. In this study, a one-dimensional thermal-electrochemical model of lithium-ion battery interactively coupled with a two-dimensional thermal-fluid conjugate model for forced convection air cooling of a lithium-ion battery module is presented and solved numerically. This coupled approach makes the model more unique and detailed as transport inside each cell in the battery module is solved for and thus covering multiple length and time scales. The effect of certain design and operating parameters of the thermal management system on the performance of the battery module is assessed using the coupled model. It is found that a lower temperature increase of the battery module can be achieved by either increasing the inlet air velocity or decreasing the distance between the cells. Higher air inlet velocity, staggered cell arrangement or a periodic reversal airflow of high reversal frequency results in a more uniform temperature distribution in the module. However, doing so increases the parasitic load as well as the volume of the battery module whence a trade-off should be taken into account between these parameters.

  19. A new image correction method for live cell atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Y; Sun, J L; Zhang, A; Hu, J; Xu, L X [College of Life Science and Biotechnology, Shanghai Jiao Tong University, Shanghai 200030 (China)

    2007-04-21

    During live cell imaging via atomic force microscopy (AFM), the interactions between the AFM probe and the membrane yield distorted cell images. In this work, an image correction method was developed based on the force-distance curve and the modified Hertzian model. The normal loading and lateral forces exerted on the cell membrane by the AFM tip were both accounted for during the scanning. Two assumptions were made in modelling based on the experimental measurements: (1) the lateral force on the endothelial cells was linear to the height; (2) the cell membrane Young's modulus could be derived from the displacement measurement of a normal force curve. Results have shown that the model could be used to recover up to 30% of the actual cell height depending on the loading force. The accuracy of the model was also investigated with respect to the loading force and mechanical property of the cell membrane.

  20. Forces in the Shoulder Joint : On validation of musculoskeletal shoulder models

    NARCIS (Netherlands)

    Asadi Nikooyan, A.

    2011-01-01

    Detailed information about muscle forces in the human musculoskeletal system are highly demanded for several applications. Unfortunately, the measurement of muscle forces in-vivo is hardly possible. To date, musculoskeletal models are best alternative for the direct measurement of these forces. A

  1. Quantifying the human-robot interaction forces between a lower limb exoskeleton and healthy users.

    Science.gov (United States)

    Rathore, Ashish; Wilcox, Matthew; Ramirez, Dafne Zuleima Morgado; Loureiro, Rui; Carlson, Tom

    2016-08-01

    To counter the many disadvantages of prolonged wheelchair use, patients with spinal cord injuries (SCI) are beginning to turn towards robotic exoskeletons. However, we are currently unaware of the magnitude and distribution of forces acting between the user and the exoskeleton. This is a critical issue, as SCI patients have an increased susceptibility to skin lesions and pressure ulcer development. Therefore, we developed a real-time force measuring apparatus, which was placed at the physical human-robot interface (pHRI) of a lower limb robotic exoskeleton. Experiments captured the dynamics of these interaction forces whilst the participants performed a range of typical stepping actions. Our results indicate that peak forces occurred at the anterior aspect of both the left and right legs, areas that are particularly prone to pressure ulcer development. A significant difference was also found between the average force experienced at the anterior and posterior sensors of the right thigh during the swing phase for different movement primitives. These results call for the integration of instrumented straps as standard in lower limb exoskeletons. They also highlight the potential of such straps to be used as an alternative/complementary interface for the high-level control of lower limb exoskeletons in some patient groups.

  2. Modelling atomic scale manipulation with the non-contact atomic force microscope

    International Nuclear Information System (INIS)

    Trevethan, T; Watkins, M; Kantorovich, L N; Shluger, A L; Polesel-Maris, J; Gauthier, S

    2006-01-01

    We present the results of calculations performed to model the process of lateral manipulation of an oxygen vacancy in the MgO(001) surface using the non-contact atomic force microscope (NC-AFM). The potential energy surfaces for the manipulation as a function of tip position are determined from atomistic modelling of the MgO(001) surface interacting with a Mg terminated MgO tip. These energies are then used to model the dynamical evolution of the system as the tip oscillates and at a finite temperature using a kinetic Monte Carlo method. The manipulation process is strongly dependent on the lateral position of the tip and the system temperature. It is also found that the expectation value of the point at which the vacancy jumps depends on the trajectory of the oscillating cantilever as the surface is approached. The effect of the manipulation on the operation of the NC-AFM is modelled with a virtual dynamic AFM, which explicitly simulates the entire experimental instrumentation and control loops. We show how measurable experimental signals can result from a single controlled atomic scale event and suggest the most favourable conditions for achieving successful atomic scale manipulation experimentally

  3. Defining the effect of sweep tillage tool cutting edge geometry on tillage forces using 3D discrete element modelling

    Directory of Open Access Journals (Sweden)

    Mustafa Ucgul

    2015-09-01

    Full Text Available The energy required for tillage processes accounts for a significant proportion of total energy used in crop production. In many tillage processes decreasing the draft and upward vertical forces is often desired for reduced fuel use and improved penetration, respectively. Recent studies have proved that the discrete element modelling (DEM can effectively be used to model the soil–tool interaction. In his study, Fielke (1994 [1] examined the effect of the various tool cutting edge geometries, namely; cutting edge height, length of underside rub, angle of underside clearance, on draft and vertical forces. In this paper the experimental parameters of Fielke (1994 [1] were simulated using 3D discrete element modelling techniques. In the simulations a hysteretic spring contact model integrated with a linear cohesion model that considers the plastic deformation behaviour of the soil hence provides better vertical force prediction was employed. DEM parameters were determined by comparing the experimental and simulation results of angle of repose and penetration tests. The results of the study showed that the simulation results of the soil-various tool cutting edge geometries agreed well with the experimental results of Fielke (1994 [1]. The modelling was then used to simulate a further range of cutting edge geometries to better define the effect of sweep tool cutting edge geometry parameters on tillage forces. The extra simulations were able to show that by using a sharper cutting edge with zero vertical cutting edge height the draft and upward vertical force were further reduced indicating there is benefit from having a really sharp cutting edge. The extra simulations also confirmed that the interpolated trends for angle of underside clearance as suggested by Fielke (1994 [1] where correct with a linear reduction in draft and upward vertical force for angle of underside clearance between the ranges of −25 and −5°, and between −5 and 0°. The

  4. A number-projected model with generalized pairing interaction in application to rotating nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Satula, W. [Warsaw Univ. (Poland)]|[Joint Institute for Heavy Ion Research, Oak Ridge, TN (United States)]|[Univ. of Tennessee, Knoxville, TN (United States)]|[Royal Institute of Technology, Stockholm (Sweden); Wyss, R. [Royal Institute of Technology, Stockholm (Sweden)

    1996-12-31

    A cranked mean-field model that takes into account both T=1 and T=0 pairing interactions is presented. The like-particle pairing interaction is described by means of a standard seniority force. The neutron-proton channel includes simultaneously correlations among particles moving in time reversed orbits (T=1) and identical orbits (T=0). The coupling between different pairing channels and nuclear rotation is taken into account selfconsistently. Approximate number-projection is included by means of the Lipkin-Nogami method. The transitions between different pairing phases are discussed as a function of neutron/proton excess, T{sub z}, and rotational frequency, {Dirac_h}{omega}.

  5. Network flow model of force transmission in unbonded and bonded granular media.

    Science.gov (United States)

    Tordesillas, Antoinette; Tobin, Steven T; Cil, Mehmet; Alshibli, Khalid; Behringer, Robert P

    2015-06-01

    An established aspect of force transmission in quasistatic deformation of granular media is the existence of a dual network of strongly versus weakly loaded particles. Despite significant interest, the regulation of strong and weak forces through the contact network remains poorly understood. We examine this aspect of force transmission using data on microstructural fabric from: (I) three-dimensional discrete element models of grain agglomerates of bonded subspheres constructed from in situ synchrotron microtomography images of silica sand grains under unconfined compression and (II) two-dimensional assemblies of unbonded photoelastic circular disks submitted to biaxial compression under constant volume. We model force transmission as a network flow and solve the maximum flow-minimum cost (MFMC) problem, the solution to which yields a percolating subnetwork of contacts that transmits the "maximum flow" (i.e., the highest units of force) at "least cost" (i.e., the dissipated energy from such transmission). We find the MFMC describes a two-tier hierarchical architecture. At the local level, it encapsulates intraconnections between particles in individual force chains and in their conjoined 3-cycles, with the most common configuration having at least one force chain contact experiencing frustrated rotation. At the global level, the MFMC encapsulates interconnections between force chains. The MFMC can be used to predict most of the force chain particles without need for any information on contact forces, thereby suggesting the network flow framework may have potential broad utility in the modeling of force transmission in unbonded and bonded granular media.

  6. Interacting boson model with surface delta interaction between nucleons: Structure and interaction of bosons

    International Nuclear Information System (INIS)

    Druce, C.H.; Moszkowski, S.A.

    1986-01-01

    The surface delta interaction is used as an effective nucleon-nucleon interaction to investigate the structure and interaction of the bosons in the interacting boson model. We have obtained analytical expressions for the coefficients of a multipole expansion of the neutron-boson-proton-boson interaction for the case of degenerate orbits. A connection is made between these coefficients and the parameters of the interaction boson model Hamiltonian. A link between the latter parameters and the single boson energies is suggested

  7. Interacting boson model with surface delta interaction between nucleons: Structure and interaction of bosons

    Energy Technology Data Exchange (ETDEWEB)

    Druce, C.H.; Moszkowski, S.A.

    1986-01-01

    The surface delta interaction is used as an effective nucleon-nucleon interaction to investigate the structure and interaction of the bosons in the interacting boson model. We have obtained analytical expressions for the coefficients of a multipole expansion of the neutron-boson-proton-boson interaction for the case of degenerate orbits. A connection is made between these coefficients and the parameters of the interaction boson model Hamiltonian. A link between the latter parameters and the single boson energies is suggested.

  8. Interactive Dimensioning of Parametric Models

    KAUST Repository

    Kelly, T.

    2015-06-22

    We propose a solution for the dimensioning of parametric and procedural models. Dimensioning has long been a staple of technical drawings, and we present the first solution for interactive dimensioning: A dimension line positioning system that adapts to the view direction, given behavioral properties. After proposing a set of design principles for interactive dimensioning, we describe our solution consisting of the following major components. First, we describe how an author can specify the desired interactive behavior of a dimension line. Second, we propose a novel algorithm to place dimension lines at interactive speeds. Third, we introduce multiple extensions, including chained dimension lines, controls for different parameter types (e.g. discrete choices, angles), and the use of dimension lines for interactive editing. Our results show the use of dimension lines in an interactive parametric modeling environment for architectural, botanical, and mechanical models.

  9. The effect of drive frequency and set point amplitude on tapping forces in atomic force microscopy: simulation and experiment

    International Nuclear Information System (INIS)

    Legleiter, Justin

    2009-01-01

    In tapping mode atomic force microscopy (AFM), a sharp probe tip attached to an oscillating cantilever is allowed to intermittently strike a surface. By raster scanning the probe while monitoring the oscillation amplitude of the cantilever via a feedback loop, topographical maps of surfaces with nanoscale resolution can be acquired. While numerous studies have employed numerical simulations to elucidate the time-resolved tapping force between the probe tip and surface, until recent technique developments, specific read-outs from such models could not be experimentally verified. In this study, we explore, via numerical simulation, the impact of imaging parameters, i.e. set point ratio and drive frequency as a function of resonance, on time-varying tip-sample force interactions, which are directly compared to reconstructed tapping forces from real AFM experiments. As the AFM model contains a feedback loop allowing for the simulation of the entire scanning process, we further explore the impact that various tip-sample force have on the entire imaging process.

  10. Interacting boson model with surface delta interaction between nucleons

    International Nuclear Information System (INIS)

    Druce, C.; Moszkowski, S.A.

    1984-01-01

    The surface delta interaction is used as an effective nucleon-nucleon interaction to investigate the structure and interaction of the bosons in the interacting boson model. The authors have obtained analytical expressions for the coefficients of a multipole expansion of the neutron-boson proton-boson interaction for the case of degenerate orbits

  11. Models and control for force/torque sensors in robotics

    International Nuclear Information System (INIS)

    Johansson, Gert.

    1992-01-01

    One of the important problems in automatic assembly is the relative positioning accuracy between the parts in the assembly process. Inaccurate positions cause large insertion forces, wear and might damage the parts. They can also completely disable the assembly process. A solution to this problem is to detect the positioning error and to make a relevant adjustment of the position or path. This thesis presents a solution based on active feedback of force/torque data from a wrist mounted sensor. A task independent control algorithm has been realized through a sensor model concept. The sensor model includes an algorithm that transforms force/torque input to relevant motion of the end effector. The transformation is specified by a set of parameters e.g. desired forces, compliance and stopping criteria. The problem with gravity forces for varying end effector orientation is compensated by an algorithm, divided into three complexity levels. The compensation method includes a calibration sequence to ensure valid end effector properties to be used in the algorithm. A problem with available robot technology is bad integration possibilities for external sensors. To allow necessary modifications and expansions, an open and general control system architecture is proposed. The architecture is based in a computer workstation and transputers in pipeline for the robot specific operations. (au)

  12. Interaction forces and conduction properties between multi wall carbon nanotube tips and Au(1 1 1)

    Energy Technology Data Exchange (ETDEWEB)

    Luna, M.; Pablo, P.J. de; Colchero, J.; Gomez-Herrero, J.; Baro, A.M.; Tokumoto, H.; Jarvis, S.P

    2003-07-15

    We have studied the interaction forces and electrical conduction properties arising between multiwall carbon nanotube tips and the Au(1 1 1) surface in air, by means of amplitude modulation scanning force microscopy, also called intermittent contact. We have centered our work on tips with metallic electronic structure and for the specific parameters used we have found a preliminary interaction range where there is no contact between tip and surface. Stable imaging in this non-contact range is possible with multiwall carbon nanotube tips. These tips have also been used to obtain simultaneous topographic and current maps of the surface. They show excellent properties as tips due to their high aspect ratio and durability, as a result of their elastic and non-reactive properties. Correspondingly, multiwall carbon nanotube tips allow high resolution local analysis of electrical conductivity on a nanometer scale.

  13. Exploring the binding of 4-thiothymidine with human serum albumin by spectroscopy, atomic force microscopy, and molecular modeling methods.

    Science.gov (United States)

    Zhang, Juling; Gu, Huaimin; Zhang, Xiaohui

    2014-01-30

    The interaction of 4-thiothymidine (S(4)TdR) with human serum albumin (HSA) was studied by equilibrium dialysis under normal physiological conditions. In this work, the mechanism of the interaction between S(4)TdR and human serum albumin (HSA) was exploited by fluorescence, UV, CD circular, and SERS spectroscopic. Fluorescence and UV spectroscopy suggest that HSA intensities are significantly decreased when adding S(4)TdR to HAS, and the quenching mechanism of the fluorescence is static. Also, the ΔG, ΔH, and ΔS values across temperature indicated that hydrophobic interaction was the predominant binding force. The CD circular results show that there is little change in the secondary structure of HSA except the environment of amino acid changes when adding S(4)TdR to HSA. The surface-enhanced Raman scattering (SERS) shows that the interaction between S(4)TdR and HSA can be achieved through different binding sites which are probably located in the II A and III A hydrophobic pockets of HSA which correspond to Sudlow's I and II binding sites. In addition, the molecular modeling displays that S(4)TdR-HSA complex is stabilized by hydrophobic forces, which result from amino acid residues. The atomic force microscopy results revealed that the single HSA molecular dimensions were larger after interaction of 4-thiothymidine. This work would be useful to understand the state of the transportation, distribution, and metabolism of the anticancer drugs in the human body, and it could provide a useful biochemistry parameter for the development of new anti-cancer drugs and research of pharmacology mechanisms. Copyright © 2013 Elsevier Ltd. All rights reserved.

  14. Kuroshio Pathways in a Climatologically-Forced Model

    Science.gov (United States)

    Douglass, E. M.; Jayne, S. R.; Bryan, F. O.; Peacock, S.; Maltrud, M. E.

    2010-12-01

    A high resolution ocean model forced with an annually repeating atmosphere is used to examine variability of the Kuroshio, the western boundary current in the North Pacific Ocean. A large meander in the path of the Kuroshio south of Japan develops and disappears in a highly bimodal fashion on decadal time scales. This meander is comparable in timing and spatial extent to an observed feature in the region. Various characteristics of the large meander are examined, including shear, transport and velocity. The many similarities between the model and observations indicate that the meander results from intrinsic oceanic variability, which is represented in this climatologically-forced model. Each large meander is preceded by a smaller "trigger" meander that originates at the southern end of Kyushu, moves up the coast, and develops into the large meander. However there are also many meanders very similar in character to the trigger meander that do not develop into large meanders. The mechanism that determines which trigger meanders develop into large meanders is as yet undetermined.

  15. Multi-axis force sensing using a resonant composite piezoelectric plate: model and experiments

    Science.gov (United States)

    Castaño-Cano, Davinson; Grossard, Mathieu; Hubert, Arnaud

    2015-05-01

    Wrist force/torque sensors used in robotic applications increase the performances and flexibility of the automated tasks. They also offer new possibilities in the manufacturing process, where physical contact between the work-piece and environment is required. The wide spreading of these sensors is for now restricted by their features. As an alternative to the existing strain-gauges force sensors, this paper presents a resonant composite structure, which is sensitive to multiple components of force that are considered via the pre-stress effect. Structurally bonded piezoelectric patches are used to bring the structure to its resonance, which is shifted according to applied forces. The relationship between force and frequency shift is modelled considering the multi-physics of this smart structure. This model is built using Hamilton's principle and takes into account pre-stress phenomena. A finite element model (FEM) based on Mindlin theory for plates, has been derived from the analytical model. The FEM model is implemented in MATLAB and compared with commercial FE software. Finally, an experimental prototype validates the model, and shows that it is possible to measure multiple force-components with one single sensing element such as a plate.

  16. Multi-axis force sensing using a resonant composite piezoelectric plate: model and experiments

    International Nuclear Information System (INIS)

    Castaño-Cano, Davinson; Grossard, Mathieu; Hubert, Arnaud

    2015-01-01

    Wrist force/torque sensors used in robotic applications increase the performances and flexibility of the automated tasks. They also offer new possibilities in the manufacturing process, where physical contact between the work-piece and environment is required. The wide spreading of these sensors is for now restricted by their features. As an alternative to the existing strain-gauges force sensors, this paper presents a resonant composite structure, which is sensitive to multiple components of force that are considered via the pre-stress effect. Structurally bonded piezoelectric patches are used to bring the structure to its resonance, which is shifted according to applied forces. The relationship between force and frequency shift is modelled considering the multi-physics of this smart structure. This model is built using Hamilton's principle and takes into account pre-stress phenomena. A finite element model (FEM) based on Mindlin theory for plates, has been derived from the analytical model. The FEM model is implemented in MATLAB and compared with commercial FE software. Finally, an experimental prototype validates the model, and shows that it is possible to measure multiple force-components with one single sensing element such as a plate. (paper)

  17. Minimizing tip-sample forces in jumping mode atomic force microscopy in liquid

    Energy Technology Data Exchange (ETDEWEB)

    Ortega-Esteban, A. [Departamento de Fisica de la Materia Condensada, C-3, Universidad Autonoma de Madrid, Cantoblanco, 28049 Madrid (Spain); Horcas, I. [Nanotec Electronica S.L., Centro Empresarial Euronova 3, Ronda de Poniente 12, 28760 Tres Cantos, Madrid (Spain); Hernando-Perez, M. [Departamento de Fisica de la Materia Condensada, C-3, Universidad Autonoma de Madrid, Cantoblanco, 28049 Madrid (Spain); Ares, P. [Nanotec Electronica S.L., Centro Empresarial Euronova 3, Ronda de Poniente 12, 28760 Tres Cantos, Madrid (Spain); Perez-Berna, A.J.; San Martin, C.; Carrascosa, J.L. [Centro Nacional de Biotecnologia (CNB-CSIC), Darwin 3, 28049 Madrid (Spain); Pablo, P.J. de [Departamento de Fisica de la Materia Condensada, C-3, Universidad Autonoma de Madrid, Cantoblanco, 28049 Madrid (Spain); Gomez-Herrero, J., E-mail: julio.gomez@uam.es [Departamento de Fisica de la Materia Condensada, C-3, Universidad Autonoma de Madrid, Cantoblanco, 28049 Madrid (Spain)

    2012-03-15

    Control and minimization of tip-sample interaction forces are imperative tasks to maximize the performance of atomic force microscopy. In particular, when imaging soft biological matter in liquids, the cantilever dragging force prevents identification of the tip-sample mechanical contact, resulting in deleterious interaction with the specimen. In this work we present an improved jumping mode procedure that allows detecting the tip-sample contact with high accuracy, thus minimizing the scanning forces ({approx}100 pN) during the approach cycles. To illustrate this method we report images of human adenovirus and T7 bacteriophage particles which are prone to uncontrolled modifications when using conventional jumping mode. -- Highlights: Black-Right-Pointing-Pointer Improvement in atomic force microscopy in buffer solution. Black-Right-Pointing-Pointer Peak force detection. Black-Right-Pointing-Pointer Subtracting the cantilever dragging force. Black-Right-Pointing-Pointer Forces in the 100 pN range. Black-Right-Pointing-Pointer Imaging of delicate viruses with atomic force microscopy.

  18. Analisis Lingkungan Industri Kakkk, Ayam Geprek Surabaya Menggunakan Porter's Five Forces Model

    OpenAIRE

    Jeffrey, Charles Raymond

    2016-01-01

    Penelitian ini bertujuan untuk menganalisis lingkungan industri Kakkk, Ayam Geprek, yaitu industri restoran berdasarkan Porter's Five Forces Model. Tinggi rendahnya masing-masing kekuatan Porter's Five Forces Model dinilai berdasarkan Porter's Five Forces Scorecard. Kemudian, hasil dari Porter's Five Scorecard akan dijadikan patokan bobot dalam External Factor Evaluation (EFE) Matrix untuk mengevaluasi kemampuan Kakkk, Ayam Geprek dalam menghadapi peluang dan ancaman di dalam industri. Jenis ...

  19. Introduction to Force-Dependent Kinematics: Theory and Application to Mandible Modeling.

    Science.gov (United States)

    Skipper Andersen, Michael; de Zee, Mark; Damsgaard, Michael; Nolte, Daniel; Rasmussen, John

    2017-09-01

    Knowledge of the muscle, ligament, and joint forces is important when planning orthopedic surgeries. Since these quantities cannot be measured in vivo under normal circumstances, the best alternative is to estimate them using musculoskeletal models. These models typically assume idealized joints, which are sufficient for general investigations but insufficient if the joint in focus is far from an idealized joint. The purpose of this study was to provide the mathematical details of a novel musculoskeletal modeling approach, called force-dependent kinematics (FDK), capable of simultaneously computing muscle, ligament, and joint forces as well as internal joint displacements governed by contact surfaces and ligament structures. The method was implemented into the anybody modeling system and used to develop a subject-specific mandible model, which was compared to a point-on-plane (POP) model and validated against joint kinematics measured with a custom-built brace during unloaded emulated chewing, open and close, and protrusion movements. Generally, both joint models estimated the joint kinematics well with the POP model performing slightly better (root-mean-square-deviation (RMSD) of less than 0.75 mm for the POP model and 1.7 mm for the FDK model). However, substantial differences were observed when comparing the estimated joint forces (RMSD up to 24.7 N), demonstrating the dependency on the joint model. Although the presented mandible model still contains room for improvements, this study shows the capabilities of the FDK methodology for creating joint models that take the geometry and joint elasticity into account.

  20. Study of interaction of butyl p-hydroxybenzoate with human serum albumin by molecular modeling and multi-spectroscopic method

    Energy Technology Data Exchange (ETDEWEB)

    Wang Qin, E-mail: wqing07@lzu.c [Department of Chemistry, Lanzhou University, Lanzhou 730000 (China); Zhang Yaheng, E-mail: zhangyah04@lzu.c [Department of Chemistry, Lanzhou University, Lanzhou 730000 (China); Sun Huijun, E-mail: sun.hui.jun-04@163.co [Department of Chemistry, Lanzhou University, Lanzhou 730000 (China); Chen Hongli, E-mail: hlchen@lzu.edu.c [Department of Chemistry, Lanzhou University, Lanzhou 730000 (China); Chen Xingguo, E-mail: chenxg@lzu.edu.c [Department of Chemistry, Lanzhou University, Lanzhou 730000 (China)

    2011-02-15

    Study of the interaction between butyl p-hydroxybenzoate (butoben) and human serum albumin (HSA) has been performed by molecular modeling and multi-spectroscopic method. The interaction mechanism was predicted through molecular modeling first, then the binding parameters were confirmed using a series of spectroscopic methods, including fluorescence spectroscopy, UV-visible absorbance spectroscopy, circular dichroism (CD) spectroscopy and Fourier transform infrared (FT-IR) spectroscopy. The thermodynamic parameters of the reaction, standard enthalpy {Delta}H{sup 0} and entropy {Delta}S{sup 0}, have been calculated to be -29.52 kJ mol{sup -1} and -24.23 J mol{sup -1} K{sup -1}, respectively, according to the Van't Hoff equation, which suggests the van der Waals force and hydrogen bonds are the predominant intermolecular forces in stabilizing the butoben-HSA complex. Results obtained by spectroscopic methods are consistent with that of the molecular modeling study. In addition, alteration of secondary structure of HSA in the presence of butoben was evaluated using the data obtained from UV-visible absorbance, CD and FT-IR spectroscopies. - Research highlights: The interaction between butyl p-hydroxybenzoate with HSA has been investigated for the first time. Molecular modeling study can provide theoretical direction for experimental design. Multi-spectroscopic method can provide the binding parameters and thermodynamic parameters. These results are important for food safety and human health when using parabens as a preservative.

  1. A Phenomenological Model and Validation of Shortening Induced Force Depression during Muscle Contractions

    Science.gov (United States)

    McGowan, C.P.; Neptune, R.R.; Herzog, W.

    2009-01-01

    History dependent effects on muscle force development following active changes in length have been measured in a number of experimental studies. However, few muscle models have included these properties or examined their impact on force and power output in dynamic cyclic movements. The goal of this study was to develop and validate a modified Hill-type muscle model that includes shortening induced force depression and assess its influence on locomotor performance. The magnitude of force depression was defined by empirical relationships based on muscle mechanical work. To validate the model, simulations incorporating force depression were developed to emulate single muscle in situ and whole muscle group leg extension experiments. There was excellent agreement between simulation and experimental values, with in situ force patterns closely matching the experimental data (average RMS error pedaling with and without force depression were generated. Force depression decreased maximum crank power by 20% – 40%, depending on the relationship between force depression and muscle work used. These results indicate that force depression has the potential to substantially influence muscle power output in dynamic cyclic movements. However, to fully understand the impact of this phenomenon on human movement, more research is needed to characterize the relationship between force depression and mechanical work in large muscles with different morphologies. PMID:19879585

  2. The Impact of Model and Rainfall Forcing Errors on Characterizing Soil Moisture Uncertainty in Land Surface Modeling

    Science.gov (United States)

    Maggioni, V.; Anagnostou, E. N.; Reichle, R. H.

    2013-01-01

    The contribution of rainfall forcing errors relative to model (structural and parameter) uncertainty in the prediction of soil moisture is investigated by integrating the NASA Catchment Land Surface Model (CLSM), forced with hydro-meteorological data, in the Oklahoma region. Rainfall-forcing uncertainty is introduced using a stochastic error model that generates ensemble rainfall fields from satellite rainfall products. The ensemble satellite rain fields are propagated through CLSM to produce soil moisture ensembles. Errors in CLSM are modeled with two different approaches: either by perturbing model parameters (representing model parameter uncertainty) or by adding randomly generated noise (representing model structure and parameter uncertainty) to the model prognostic variables. Our findings highlight that the method currently used in the NASA GEOS-5 Land Data Assimilation System to perturb CLSM variables poorly describes the uncertainty in the predicted soil moisture, even when combined with rainfall model perturbations. On the other hand, by adding model parameter perturbations to rainfall forcing perturbations, a better characterization of uncertainty in soil moisture simulations is observed. Specifically, an analysis of the rank histograms shows that the most consistent ensemble of soil moisture is obtained by combining rainfall and model parameter perturbations. When rainfall forcing and model prognostic perturbations are added, the rank histogram shows a U-shape at the domain average scale, which corresponds to a lack of variability in the forecast ensemble. The more accurate estimation of the soil moisture prediction uncertainty obtained by combining rainfall and parameter perturbations is encouraging for the application of this approach in ensemble data assimilation systems.

  3. What happened to the Kuo-Brown interaction?

    International Nuclear Information System (INIS)

    Osnes, E.

    1987-01-01

    Twenty years of efforts to calculate the shell-model effective interaction, starting from the free nucleon-nucleon (NN) interaction and using many-body perturbation theory, are briefly reviewed. A description is given of the pioneering work of Kuo and Brown, in which the effective interaction was approximated by the Bethe-Brueckner-Goldstone G-matrix and the lowest order core-polarization correction. Subsequent developments which cast doubt upon the simple Kuo-Brown approximation are reviewed. Some of these problems have been shown to arise from inadequate treatment of various higher order contributions, whereas other problems are related to the strong tensor component of the NN interaction used. In fact, modern meson-exchange potentials have much weaker tensor forces and give rise to effective interactions which are similar to the original Kuo-Brown interaction. Applications of these new effective forces to shell-model calculations in the sd-shell are discussed

  4. Physical Limitations of Empirical Field Models: Force Balance and Plasma Pressure

    International Nuclear Information System (INIS)

    Sorin Zaharia; Cheng, C.Z.

    2002-01-01

    In this paper, we study whether the magnetic field of the T96 empirical model can be in force balance with an isotropic plasma pressure distribution. Using the field of T96, we obtain values for the pressure P by solving a Poisson-type equation (gradient) 2 P = (gradient) · (J x B) in the equatorial plane, and 1-D profiles on the Sun-Earth axis by integrating (gradient)P = J x B. We work in a flux coordinate system in which the magnetic field is expressed in terms of Euler potentials. Our results lead to the conclusion that the T96 model field cannot be in equilibrium with an isotropic pressure. We also analyze in detail the computation of Birkeland currents using the Vasyliunas relation and the T96 field, which yields unphysical results, again indicating the lack of force balance in the empirical model. The underlying reason for the force imbalance is likely the fact that the derivatives of the least-square fitted model B are not accurate predictions of the actual magnetospheric field derivatives. Finally, we discuss a possible solution to the problem of lack of force balance in empirical field models

  5. Resonance energy transfer (RET)-Induced intermolecular pairing force: a tunable weak interaction and its application in SWNT separation.

    Science.gov (United States)

    Pan, Xiaoyong; Chen, Hui; Wang, Wei Zhi; Ng, Siu Choon; Chan-Park, Mary B

    2011-07-21

    This paper explores evidence of an optically mediated interaction that is active in the separation mechanism of certain selective agents through consideration of the contrasting selective behaviors of two conjugated polymers with distinct optical properties. The involvement of a RET-induced intermolecular pairing force is implied by the different illumination response behaviors. The magnitude of this interaction scales with the external stimulus parameter, the illumination irradiance (I), and thus is tunable. This suggests a facile technique to modify the selectivity of polymers toward specific SWNT species by altering the polymer structure to adjust the corresponding intermolecular interaction. This is the first experimental verification and application of a RET-induced intermolecular pairing force to SWNT separation. With this kind of interaction taken into account, reasonable interpretation of some conflicting data, especially PLE maps, can be easily made. The above conclusion can be applied to other substances as long as they are electrically neutral and there is photon-induced RET between them. The significant magnitude of this interaction makes direct manipulation of molecules/particles possible and is expected to have applications in molecular engineering. © 2011 American Chemical Society

  6. Modeling the Thermal Interactions of Meteorites Below the Antarctic Ice

    Science.gov (United States)

    Oldroyd, William Jared; Radebaugh, Jani; Stephens, Denise C.; Lorenz, Ralph; Harvey, Ralph; Karner, James

    2017-10-01

    Meteorites with high specific gravities, such as irons, appear to be underrepresented in Antarctic collections over the last 40 years. This underrepresentation is in comparison with observed meteorite falls, which are believed to represent the actual population of meteorites striking Earth. Meteorites on the Antarctic ice sheet absorb solar flux, possibly leading to downward tunneling into the ice, though observations of this in action are very limited. This descent is counteracted by ice sheet flow supporting the meteorites coupled with ablation near mountain margins, which helps to force meteorites towards the surface. Meteorites that both absorb adequate thermal energy and are sufficiently dense may instead reach a shallow equilibrium depth as downward melting overcomes upward forces during the Antarctic summer. Using a pyronometer, we have measured the incoming solar flux at multiple depths in two deep field sites in Antarctica, the Miller Range and Elephant Moraine. We compare these data with laboratory analogues and model the thermal and physical interactions between a variety of meteorites and their surroundings. Our Matlab code model will account for a wide range of parameters used to characterize meteorites in an Antarctic environment. We will present the results of our model along with depth estimates for several types of meteorites. The recovery of an additional population of heavy meteorites would increase our knowledge of the formation and composition of the solar system.

  7. Mechanical interactions between adjacent airways in the lung.

    Science.gov (United States)

    Ma, Baoshun; Bates, Jason H T

    2014-03-15

    The forces of mechanical interdependence between the airways and the parenchyma in the lung are powerful modulators of airways responsiveness. Little is known, however, about the extent to which adjacent airways affect each other's ability to narrow due to distortional forces generated within the intervening parenchyma. We developed a two-dimensional computational model of two airways embedded in parenchyma. The parenchyma itself was modeled in three ways: 1) as a network of hexagonally arranged springs, 2) as a network of triangularly arranged springs, and 3) as an elastic continuum. In all cases, we determined how the narrowing of one airway was affected when the other airway was relaxed vs. when it narrowed to the same extent as the first airway. For the continuum and triangular network models, interactions between airways were negligible unless the airways lay within about two relaxed diameters of each other, but even at this distance the interactions were small. By contrast, the hexagonal spring network model predicted that airway-airway interactions mediated by the parenchyma can be substantial for any degree of airway separation at intermediate values of airway contraction forces. Evidence to date suggests that the parenchyma may be better represented by the continuum model, which suggests that the parenchyma does not mediate significant interactions between narrowing airways.

  8. Interaction between local parameters of two-phase flow and random forces on a cylinder

    International Nuclear Information System (INIS)

    Sylviane Pascal-Ribot; Yves Blanchet; Franck Baj; Phillippe Piteau

    2005-01-01

    Full text of publication follows: In the frame of assessments of steam generator tube bundle vibrations, a study was conducted in order to investigate the effects of an air/water flow on turbulent buffeting forces induced on a cylinder. The main purpose is to relate the physical parameters characterizing an air/water two-phase crossflow with the structural loading of a fixed cylindrical tube. In this first approach, the experiments are carried out in a rectangular acrylic test section supplied with a vertical upward bubbly flow. This flow is transversally impeded by a fixed rigid 12,15 mm diameter cylinder. Different turbulence grids are used in order to modify two-phase characteristics such as bubble diameter, void fraction profile, fluctuation parameters. Preliminarily, a dimensional analysis of fluid-structure interaction under two-phase turbulent solicitations has enabled to identify a list of physically relevant variables which must be measured to evaluate the random forces. The meaning of these relevant parameters as well as the effect of flow patterns are discussed. Direct measurements of two-phase flow parameters are performed simultaneously with measurements of forces exerted on the cylinder. The main descriptive parameters of a two-phase flow are measured using a bi-optical probe, in particular void fraction profiles, interfacial velocities, bubble diameters, void fraction fluctuations. In the same time, the magnitude of random forces caused by two-phase flow is measured with a force transducer. A thorough analysis of the experimental data is then undertaken in order to correlate physical two-phase mechanisms with the random forces exerted on the cylinder. The hypotheses made while applying the dimensional analysis are verified and their pertinence is discussed. Finally, physical parameters involved in random buffeting forces applied on a transverse tube are proposed to scale the spectral magnitude of these forces and comparisons with other authors

  9. Origin of the Force: The Force-From-Lipids Principle Applied to Piezo Channels.

    Science.gov (United States)

    Cox, C D; Bavi, N; Martinac, B

    2017-01-01

    Piezo channels are a ubiquitously expressed, principal type of molecular force sensor in eukaryotes. They enable cells to decode a myriad of physical stimuli and are essential components of numerous mechanosensory processes. Central to their physiological role is the ability to change conformation in response to mechanical force. Here we discuss the evolutionary origin of Piezo in relation to other MS channels in addition to the force that gates Piezo channels. In particular, we discuss whether Piezo channels are inherently mechanosensitive in accordance with the force-from-lipid paradigm which has been firmly established for bacterial MS channels and two-pore domain K + (K 2P ) channels. We also discuss the evidence supporting a reliance on or direct interaction with structural scaffold proteins of the cytoskeleton and extracellular matrix according to the force-from-filament principle. In doing so, we explain the false dichotomy that these distinctions represent. We also discuss the possible unifying models that shed light on channel mechanosensitivity at the molecular level. Copyright © 2017 Elsevier Inc. All rights reserved.

  10. B-spline tight frame based force matching method

    Science.gov (United States)

    Yang, Jianbin; Zhu, Guanhua; Tong, Dudu; Lu, Lanyuan; Shen, Zuowei

    2018-06-01

    In molecular dynamics simulations, compared with popular all-atom force field approaches, coarse-grained (CG) methods are frequently used for the rapid investigations of long time- and length-scale processes in many important biological and soft matter studies. The typical task in coarse-graining is to derive interaction force functions between different CG site types in terms of their distance, bond angle or dihedral angle. In this paper, an ℓ1-regularized least squares model is applied to form the force functions, which makes additional use of the B-spline wavelet frame transform in order to preserve the important features of force functions. The B-spline tight frames system has a simple explicit expression which is useful for representing our force functions. Moreover, the redundancy of the system offers more resilience to the effects of noise and is useful in the case of lossy data. Numerical results for molecular systems involving pairwise non-bonded, three and four-body bonded interactions are obtained to demonstrate the effectiveness of our approach.

  11. Effects of solute--solvent attractive forces on hydrophobic correlations

    International Nuclear Information System (INIS)

    Pratt, L.R.; Chandler, D.

    1980-01-01

    A theory is presented for the effect of slowly varying attractive forces on correlations between nonpolar solutes in dilute aqueous solution. We find that hydrophobic correlations are sensitive to relatively long range slowly varying interactions. Thus, it is possible to make qualitative changes in these correlations by introducing small changes in the attractive forces. Several model calculations are presented to illustrate these facts. The contributions of the Lennard-Jones attractive forces to the computer simulation results of Pangali, Rao, and Berne are calculated. For this case it is found that the potential of mean force between spherical nonpolar solutes is hardly affected by inclusion of attractive forces. However, the osmotic second virial coefficient is dominated by the contributions of the attractive forces. For spherical solutes which provide a reasonable model for the methane molecule, inclusion of attractive forces produces a qualitative change in the methane--methane potential of mean force. The connection between these effects of slowly varying attractive forces and the enthalpic part of Ben-Naim's deltaA/sup H/I is discussed

  12. Thermodynamic properties for applications in chemical industry via classical force fields.

    Science.gov (United States)

    Guevara-Carrion, Gabriela; Hasse, Hans; Vrabec, Jadran

    2012-01-01

    Thermodynamic properties of fluids are of key importance for the chemical industry. Presently, the fluid property models used in process design and optimization are mostly equations of state or G (E) models, which are parameterized using experimental data. Molecular modeling and simulation based on classical force fields is a promising alternative route, which in many cases reasonably complements the well established methods. This chapter gives an introduction to the state-of-the-art in this field regarding molecular models, simulation methods, and tools. Attention is given to the way modeling and simulation on the scale of molecular force fields interact with other scales, which is mainly by parameter inheritance. Parameters for molecular force fields are determined both bottom-up from quantum chemistry and top-down from experimental data. Commonly used functional forms for describing the intra- and intermolecular interactions are presented. Several approaches for ab initio to empirical force field parameterization are discussed. Some transferable force field families, which are frequently used in chemical engineering applications, are described. Furthermore, some examples of force fields that were parameterized for specific molecules are given. Molecular dynamics and Monte Carlo methods for the calculation of transport properties and vapor-liquid equilibria are introduced. Two case studies are presented. First, using liquid ammonia as an example, the capabilities of semi-empirical force fields, parameterized on the basis of quantum chemical information and experimental data, are discussed with respect to thermodynamic properties that are relevant for the chemical industry. Second, the ability of molecular simulation methods to describe accurately vapor-liquid equilibrium properties of binary mixtures containing CO(2) is shown.

  13. Modeling unsteady forces and pressures on a rapidly pitching airfoil

    Science.gov (United States)

    Schiavone, Nicole K.; Dawson, Scott T. M.; Rowley, Clarence W.; Williams, David R.

    2014-11-01

    This work develops models to quantify and understand the unsteady aerodynamic forces arising from rapid pitching motion of a NACA0012 airfoil at a Reynolds number of 50 000. The system identification procedure applies a generalized DMD-type algorithm to time-resolved wind tunnel measurements of the lift and drag forces, as well as the pressure at six locations on the suction surface of the airfoil. Models are identified for 5-degree pitch-up and pitch-down maneuvers within the overall range of 0-20 degrees. The identified models can accurately capture the effects of flow separation and leading-edge vortex formation and convection. We demonstrate that switching between different linear models can give accurate prediction of the nonlinear behavior that is present in high-amplitude maneuvers. The models are accurate for a wide-range of motions, including pitch-and-hold, sinusoidal, and pseudo-random pitching maneuvers. Providing the models access to a subset of the measured data channels can allow for improved estimates of the remaining states via the use of a Kalman filter, suggesting that the modeling framework could be useful for aerodynamic control applications. This work was supported by the Air Force Office of Scientific Research, under Award No. FA9550-12-1-0075.

  14. Quantum chromodynamics: A theory of the nuclear force

    International Nuclear Information System (INIS)

    Craigie, N.S.

    1980-06-01

    A brief outline is given of a possible theory of the nuclear force and the strong interactions between elementary particles, which is supposed responsible for nuclear matter. The theory is known as quantum chromodynamics because of its association with a new kind of nuclear charge called colour and its resemblance to quantum electrodynamics. Early ideas on the nuclear force and the emergence of the quark model and the QCD Lagrangian are described first. Then properties of this theory and the problem of quark confinement, the perturbative phase of QCD, and the non-perturbative or confinement phase of QCD and the description of hadrons and their interactions are discussed

  15. Three-Nucleon Forces and Triplet Pairing in Neutron Matter

    Science.gov (United States)

    Papakonstantinou, P.; Clark, J. W.

    2017-12-01

    The existence of superfluidity of the neutron component in the core of a neutron star, associated specifically with triplet P-wave pairing, is currently an open question that is central to interpretation of the observed cooling curves and other neutron-star observables. Ab initio theoretical calculations aimed at resolving this issue face unique challenges in the relevant high-density domain, which reaches beyond the saturation density of symmetrical nuclear matter. These issues include uncertainties in the three-nucleon (3N) interaction and in the effects of strong short-range correlations—and more generally of in-medium modification of nucleonic self-energies and interactions. A survey of existing solutions of the gap equations in the triplet channel demonstrates that the net impact on the gap magnitude of 3N forces, coupled channels, and mass renormalization shows extreme variation dependent on specific theoretical inputs, in some cases even pointing to the absence of a triplet gap, thus motivating a detailed analysis of competing effects within a well-controlled model. In the present study, we track the effects of the 3N force and in-medium modifications in the representative case of the ^3P_2 channel, based on the Argonne v_{18} two-nucleon (2N) interaction supplemented by 3N interactions of the Urbana IX family. Sensitivity of the results to the input interaction is clearly demonstrated. We point out consistency issues with respect to the simultaneous treatment of 3N forces and in-medium effects, which warrant further investigation. We consider this pilot study as the first step toward a systematic and comprehensive exploration of coupled-channel ^3P F_2 pairing using a broad range of 2N and 3N interactions from the current generation of refined semi-phenomenological models and models derived from chiral effective field theory.

  16. On the real-time estimation of the wheel-rail contact force by means of a new nonlinear estimator design model

    Science.gov (United States)

    Strano, Salvatore; Terzo, Mario

    2018-05-01

    The dynamics of the railway vehicles is strongly influenced by the interaction between the wheel and the rail. This kind of contact is affected by several conditioning factors such as vehicle speed, wear, adhesion level and, moreover, it is nonlinear. As a consequence, the modelling and the observation of this kind of phenomenon are complex tasks but, at the same time, they constitute a fundamental step for the estimation of the adhesion level or for the vehicle condition monitoring. This paper presents a novel technique for the real time estimation of the wheel-rail contact forces based on an estimator design model that takes into account the nonlinearities of the interaction by means of a fitting model functional to reproduce the contact mechanics in a wide range of slip and to be easily integrated in a complete model based estimator for railway vehicle.

  17. Subharmonic Oscillations and Chaos in Dynamic Atomic Force Microscopy

    Science.gov (United States)

    Cantrell, John H.; Cantrell, Sean A.

    2015-01-01

    The increasing use of dynamic atomic force microscopy (d-AFM) for nanoscale materials characterization calls for a deeper understanding of the cantilever dynamics influencing scan stability, predictability, and image quality. Model development is critical to such understanding. Renormalization of the equations governing d- AFM provides a simple interpretation of cantilever dynamics as a single spring and mass system with frequency dependent cantilever stiffness and damping parameters. The renormalized model is sufficiently robust to predict the experimentally observed splitting of the free-space cantilever resonance into multiple resonances upon cantilever-sample contact. Central to the model is the representation of the cantilever sample interaction force as a polynomial expansion with coefficients F(sub ij) (i,j = 0, 1, 2) that account for the effective interaction stiffness parameter, the cantilever-to-sample energy transfer, and the amplitude of cantilever oscillation. Application of the Melnikov method to the model equation is shown to predict a homoclinic bifurcation of the Smale horseshoe type leading to a cascade of period doublings with increasing drive displacement amplitude culminating in chaos and loss of image quality. The threshold value of the drive displacement amplitude necessary to initiate subharmonic generation depends on the acoustic drive frequency, the effective damping coefficient, and the nonlinearity of the cantilever-sample interaction force. For parameter values leading to displacement amplitudes below threshold for homoclinic bifurcation other bifurcation scenarios can occur, some of which lead to chaos.

  18. Foot force models of crowd dynamics on a wobbly bridge.

    Science.gov (United States)

    Belykh, Igor; Jeter, Russell; Belykh, Vladimir

    2017-11-01

    Modern pedestrian and suspension bridges are designed using industry standard packages, yet disastrous resonant vibrations are observed, necessitating multimillion dollar repairs. Recent examples include pedestrian-induced vibrations during the opening of the Solférino Bridge in Paris in 1999 and the increased bouncing of the Squibb Park Bridge in Brooklyn in 2014. The most prominent example of an unstable lively bridge is the London Millennium Bridge, which started wobbling as a result of pedestrian-bridge interactions. Pedestrian phase locking due to footstep phase adjustment is suspected to be the main cause of its large lateral vibrations; however, its role in the initiation of wobbling was debated. We develop foot force models of pedestrians' response to bridge motion and detailed, yet analytically tractable, models of crowd phase locking. We use biomechanically inspired models of crowd lateral movement to investigate to what degree pedestrian synchrony must be present for a bridge to wobble significantly and what is a critical crowd size. Our results can be used as a safety guideline for designing pedestrian bridges or limiting the maximum occupancy of an existing bridge. The pedestrian models can be used as "crash test dummies" when numerically probing a specific bridge design. This is particularly important because the U.S. code for designing pedestrian bridges does not contain explicit guidelines that account for the collective pedestrian behavior.

  19. Apparent-contact-angle model at partial wetting and evaporation: impact of surface forces.

    Science.gov (United States)

    Janeček, V; Nikolayev, V S

    2013-01-01

    This theoretical and numerical study deals with evaporation of a fluid wedge in contact with its pure vapor. The model describes a regime where the continuous wetting film is absent and the actual line of the triple gas-liquid-solid contact appears. A constant temperature higher than the saturation temperature is imposed at the solid substrate. The fluid flow is solved in the lubrication approximation. The introduction of the surface forces in the case of the partial wetting is discussed. The apparent contact angle (the gas-liquid interface slope far from the contact line) is studied numerically as a function of the substrate superheating, contact line velocity, and parameters related to the solid-fluid interaction (Young and microscopic contact angles, Hamaker constant, etc.). The dependence of the apparent contact angle on the substrate temperature is in agreement with existing approaches. For water, the apparent contact angle may be 20° larger than the Young contact angle for 1 K superheating. The effect of the surface forces on the apparent contact angle is found to be weak.

  20. A Penalty Method to Model Particle Interactions in DNA-laden Flows

    International Nuclear Information System (INIS)

    Trebotich, D; Miller, G H; Bybee, M D

    2006-01-01

    We present a hybrid fluid-particle algorithm to simulate flow and transport of DNA-laden fluids in microdevices. Relevant length scales in microfluidic systems range from characteristic channel sizes of millimeters to micron scale geometric variation (e.g., post arrays) to 10 nanometers for the length of a single rod in a bead-rod polymer representation of a biological material such as DNA. The method is based on a previous fluid-particle algorithm in which long molecules are represented as a chain of connected rods, but in which the physically unrealistic behavior of rod crossing occurred. We have extended this algorithm to include screened Coulombic forces between particles by implementing a Debye-Hueckel potential acting between rods. In the method an unsteady incompressible Newtonian fluid is discretized with a second-order finite difference method in the interior of the Cartesian grid domain; an embedded boundary volume-of-fluid formulation is used near boundaries. The bead-rod polymer model is fully coupled to the solvent through body forces representing hydrodynamic drag and stochastic thermal fluctuations. While intrapolymer interactions are modeled by a soft potential, polymer-structure interactions are treated as perfectly elastic collisions. We demonstrate this method on flow and transport of a polymer through a post array microchannel in 2D where the polymer incorporates more realistic physical parameters of DNA, and compare to previous simulations where rods are allowed to cross. We also show that the method is capable of simulating 3D flow in a packed bed micro-column

  1. A Penalty Method to Model Particle Interactions in DNA-laden Flows

    Energy Technology Data Exchange (ETDEWEB)

    Trebotich, D; Miller, G H; Bybee, M D

    2006-10-06

    We present a hybrid fluid-particle algorithm to simulate flow and transport of DNA-laden fluids in microdevices. Relevant length scales in microfluidic systems range from characteristic channel sizes of millimeters to micron scale geometric variation (e.g., post arrays) to 10 nanometers for the length of a single rod in a bead-rod polymer representation of a biological material such as DNA. The method is based on a previous fluid-particle algorithm in which long molecules are represented as a chain of connected rods, but in which the physically unrealistic behavior of rod crossing occurred. We have extended this algorithm to include screened Coulombic forces between particles by implementing a Debye-Hueckel potential acting between rods. In the method an unsteady incompressible Newtonian fluid is discretized with a second-order finite difference method in the interior of the Cartesian grid domain; an embedded boundary volume-of-fluid formulation is used near boundaries. The bead-rod polymer model is fully coupled to the solvent through body forces representing hydrodynamic drag and stochastic thermal fluctuations. While intrapolymer interactions are modeled by a soft potential, polymer-structure interactions are treated as perfectly elastic collisions. We demonstrate this method on flow and transport of a polymer through a post array microchannel in 2D where the polymer incorporates more realistic physical parameters of DNA, and compare to previous simulations where rods are allowed to cross. We also show that the method is capable of simulating 3D flow in a packed bed micro-column.

  2. Reconstruction of the Tip-Surface Interaction Potential by Analysis of the Brownian Motion of an Atomic Force Microscope Tip

    NARCIS (Netherlands)

    Willemsen, O.H.; Kuipers, L.; van der Werf, Kees; de Grooth, B.G.; Greve, Jan

    2000-01-01

    The thermal movement of an atomic force microscope (AFM) tip is used to reconstruct the tip-surface interaction potential. If a tip is brought into the vicinity of a surface, its movement is governed by the sum of the harmonic cantilever potential and the tip-surface interaction potential. By

  3. PLASS: Protein-ligand affinity statistical score a knowledge-based force-field model of interaction derived from the PDB

    Science.gov (United States)

    Ozrin, V. D.; Subbotin, M. V.; Nikitin, S. M.

    2004-04-01

    We have developed PLASS (Protein-Ligand Affinity Statistical Score), a pair-wise potential of mean-force for rapid estimation of the binding affinity of a ligand molecule to a protein active site. This scoring function is derived from the frequency of occurrence of atom-type pairs in crystallographic complexes taken from the Protein Data Bank (PDB). Statistical distributions are converted into distance-dependent contributions to the Gibbs free interaction energy for 10 atomic types using the Boltzmann hypothesis, with only one adjustable parameter. For a representative set of 72 protein-ligand structures, PLASS scores correlate well with the experimentally measured dissociation constants: a correlation coefficient R of 0.82 and RMS error of 2.0 kcal/mol. Such high accuracy results from our novel treatment of the volume correction term, which takes into account the inhomogeneous properties of the protein-ligand complexes. PLASS is able to rank reliably the affinity of complexes which have as much diversity as in the PDB.

  4. Pion Condensation and Alternating Layer Spin Model in Symmetric Nuclear Matter : Use of Extended Effective Nuclear Forces : Nuclear Physics

    OpenAIRE

    Teiji, KUNIHIRO; Tatsuyuki, TAKATSUKA; Ryozo, TAMAGAKI; Department of National Sciences, Ryukoku University; College of Humanities and Social Sciences, Iwate University; Department of Physics, Kyoto University

    1985-01-01

    Pion condensation in the symmetric nuclear matter is investigated on the basis of the ALS (alternating-layer-spin) model which provides a good description for the π^0 condensation. We perform energy calculations in a realistic way where the isobar (Δ)-mixing, the short range effects and the exchange energy of the interaction are taken into account. The Δ-mixing effect is built in the model state as previously done in the neutron matter. We preferentially employ G-0 force of Sprung and Banerje...

  5. Modeling multimodal human-computer interaction

    NARCIS (Netherlands)

    Obrenovic, Z.; Starcevic, D.

    2004-01-01

    Incorporating the well-known Unified Modeling Language into a generic modeling framework makes research on multimodal human-computer interaction accessible to a wide range off software engineers. Multimodal interaction is part of everyday human discourse: We speak, move, gesture, and shift our gaze

  6. Impact of peptide clustering on unbinding forces in the context of fusion mimetics

    International Nuclear Information System (INIS)

    Pähler, Gesa; Lorenz, Bärbel; Janshoff, Andreas

    2013-01-01

    Highlights: ► Coiled-coil peptides as SNARE mimetics for membrane fusion. ► Interaction forces assessed by colloidal probe microscopy. ► Lateral organization of lipopeptides visualized by atomic force microscopy. -- Abstract: Coiled-coil zipping and unzipping is a pivotal process in SNARE-regulated membrane fusion. In this study we examine this process mediated by a minimal model for coiled-coil formation employing force spectroscopy in the context of membrane-coated surfaces and probes. The interaction forces of several hundred pN are surprisingly low considering the proposed amount of molecular bonds in the contact zone. However, by means of high-resolution imaging employing atomic force microscopy and studying the lateral mobility of lipids and peptides as a function of coiled-coil formation, we are able to supply a detailed view on processes occurring on the membrane surfaces during force measurements. The interaction forces determined here are not only dependent on the peptide concentration on the surface, but also on the regional organization of lateral peptide clusters found prior to coiled-coil formation

  7. Dual frequency modulation with two cantilevers in series: a possible means to rapidly acquire tip–sample interaction force curves with dynamic AFM

    International Nuclear Information System (INIS)

    Solares, Santiago D; Chawla, Gaurav

    2008-01-01

    One common application of atomic force microscopy (AFM) is the acquisition of tip–sample interaction force curves. However, this can be a slow process when the user is interested in studying non-uniform samples, because existing contact- and dynamic-mode methods require that the measurement be performed at one fixed surface point at a time. This paper proposes an AFM method based on dual frequency modulation using two cantilevers in series, which could be used to measure the tip–sample interaction force curves and topography of the entire sample with a single surface scan, in a time that is comparable to the time needed to collect a topographic image with current AFM imaging modes. Numerical simulation results are provided along with recommended parameters to characterize tip–sample interactions resembling those of conventional silicon tips and carbon nanotube tips tapping on silicon surfaces

  8. Modeling the response of Northwest Greenland to enhanced ocean thermal forcing and subglacial discharge

    Science.gov (United States)

    Morlighem, M.; Wood, M.; Seroussi, H. L.; Bondzio, J. H.; Rignot, E. J.

    2017-12-01

    Glacier-front dynamics is an important control on Greenland's ice mass balance. Warm and salty Atlantic water, which is typically found at a depth below 200-300 m, has the potential to trigger ice-front retreats of marine-terminating glaciers, and the corresponding loss in resistive stress leads to glacier acceleration and thinning. It remains unclear, however, which glaciers are currently stable but may retreat in the future, and how far inland and how fast they will retreat. Here, we quantify the sensitivity and vulnerability of marine-terminating glaciers along the Northwest coast of Greenland (from 72.5° to 76°N) to ocean forcing using the Ice Sheet System Model (ISSM), and its new ice front migration capability. We rely on the ice melt parameterization from Rignot et al. 2016, and use ocean temperature and salinity from high-resolution ECCO2 simulations on the continental shelf to constrain the thermal forcing. The ice flow model includes a calving law based on a Von Mises criterion. We investigate the sensitivity of Northwest Greenland to enhanced ocean thermal forcing and subglacial discharge. We find that some glaciers, such as Dietrichson Gletscher or Alison Gletscher, are sensitive to small increases in ocean thermal forcing, while others, such as Illullip Sermia or Qeqertarsuup Sermia, are very difficult to destabilize, even with a quadrupling of the melt. Under the most intense melt experiment, we find that Hayes Gletscher retreats by more than 50 km inland into a deep trough and its velocity increases by a factor of 10 over only 15 years. The model confirms that ice-ocean interactions are the triggering mechanism of glacier retreat, but the bed controls its magnitude. This work was performed at the University of California Irvine under a contract with the National Aeronautics and Space Administration, Cryospheric Sciences Program (#NNX15AD55G), and the National Science Foundation's ARCSS program (#1504230).

  9. Performance evaluation of Maxwell and Cercignani-Lampis gas-wall interaction models in the modeling of thermally driven rarefied gas transport

    KAUST Repository

    Liang, Tengfei

    2013-07-16

    A systematic study on the performance of two empirical gas-wall interaction models, the Maxwell model and the Cercignani-Lampis (CL) model, in the entire Knudsen range is conducted. The models are evaluated by examining the accuracy of key macroscopic quantities such as temperature, density, and pressure, in three benchmark thermal problems, namely the Fourier thermal problem, the Knudsen force problem, and the thermal transpiration problem. The reference solutions are obtained from a validated hybrid DSMC-MD algorithm developed in-house. It has been found that while both models predict temperature and density reasonably well in the Fourier thermal problem, the pressure profile obtained from Maxwell model exhibits a trend that opposes that from the reference solution. As a consequence, the Maxwell model is unable to predict the orientation change of the Knudsen force acting on a cold cylinder embedded in a hot cylindrical enclosure at a certain Knudsen number. In the simulation of the thermal transpiration coefficient, although all three models overestimate the coefficient, the coefficient obtained from CL model is the closest to the reference solution. The Maxwell model performs the worst. The cause of the overestimated coefficient is investigated and its link to the overly constrained correlation between the tangential momentum accommodation coefficient and the tangential energy accommodation coefficient inherent in the models is pointed out. Directions for further improvement of models are suggested.

  10. Magnetic Circuit Model of PM Motor-Generator to Predict Radial Forces

    Science.gov (United States)

    McLallin, Kerry (Technical Monitor); Kascak, Peter E.; Dever, Timothy P.; Jansen, Ralph H.

    2004-01-01

    A magnetic circuit model is developed for a PM motor for flywheel applications. A sample motor is designed and modeled. Motor configuration and selection of materials is discussed, and the choice of winding configuration is described. A magnetic circuit model is described, which includes the stator back iron, rotor yoke, permanent magnets, air gaps and the stator teeth. Iterative solution of this model yields flux linkages, back EMF, torque, power, and radial force at the rotor caused by eccentricity. Calculated radial forces are then used to determine motor negative stiffness.

  11. Assessing Air-Sea Interaction in the Evolving NASA GEOS Model

    Science.gov (United States)

    Clayson, Carol Anne; Roberts, J. Brent

    2015-01-01

    In order to understand how the climate responds to variations in forcing, one necessary component is to understand the full distribution of variability of exchanges of heat and moisture between the atmosphere and ocean. Surface heat and moisture fluxes are critical to the generation and decay of many coupled air-sea phenomena. These mechanisms operate across a number of scales and contain contributions from interactions between the anomalous (i.e. non-mean), often extreme-valued, flux components. Satellite-derived estimates of the surface turbulent and radiative heat fluxes provide an opportunity to assess results from modeling systems. Evaluation of only time mean and variability statistics, however only provides limited traceability to processes controlling what are often regime-dependent errors. This work will present an approach to evaluate the representation of the turbulent fluxes at the air-sea interface in the current and evolving Goddard Earth Observing System (GEOS) model. A temperature and moisture vertical profile-based clustering technique is used to identify robust weather regimes, and subsequently intercompare the turbulent fluxes and near-surface parameters within these regimes in both satellite estimates and GEOS-driven data sets. Both model reanalysis (MERRA) and seasonal-to-interannual coupled GEOS model simulations will be evaluated. Particular emphasis is placed on understanding the distribution of the fluxes including extremes, and the representation of near-surface forcing variables directly related to their estimation. Results from these analyses will help identify the existence and source of regime-dependent biases in the GEOS model ocean surface turbulent fluxes. The use of the temperature and moisture profiles for weather-state clustering will be highlighted for its potential broad application to 3-D output typical of model simulations.

  12. Semantic models for adaptive interactive systems

    CERN Document Server

    Hussein, Tim; Lukosch, Stephan; Ziegler, Jürgen; Calvary, Gaëlle

    2013-01-01

    Providing insights into methodologies for designing adaptive systems based on semantic data, and introducing semantic models that can be used for building interactive systems, this book showcases many of the applications made possible by the use of semantic models.Ontologies may enhance the functional coverage of an interactive system as well as its visualization and interaction capabilities in various ways. Semantic models can also contribute to bridging gaps; for example, between user models, context-aware interfaces, and model-driven UI generation. There is considerable potential for using

  13. Non-monotonic resonance in a spatially forced Lengyel-Epstein model

    Energy Technology Data Exchange (ETDEWEB)

    Haim, Lev [Physics Department, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel); Department of Oncology, Soroka University Medical Center, Beer-Sheva 84101 (Israel); Hagberg, Aric [Center for Nonlinear Studies, Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Meron, Ehud [Physics Department, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel); Department of Solar Energy and Environmental Physics, BIDR, Ben-Gurion University of the Negev, Sede Boqer Campus, Midreshet Ben-Gurion 84990 (Israel)

    2015-06-15

    We study resonant spatially periodic solutions of the Lengyel-Epstein model modified to describe the chlorine dioxide-iodine-malonic acid reaction under spatially periodic illumination. Using multiple-scale analysis and numerical simulations, we obtain the stability ranges of 2:1 resonant solutions, i.e., solutions with wavenumbers that are exactly half of the forcing wavenumber. We show that the width of resonant wavenumber response is a non-monotonic function of the forcing strength, and diminishes to zero at sufficiently strong forcing. We further show that strong forcing may result in a π/2 phase shift of the resonant solutions, and argue that the nonequilibrium Ising-Bloch front bifurcation can be reversed. We attribute these behaviors to an inherent property of forcing by periodic illumination, namely, the increase of the mean spatial illumination as the forcing amplitude is increased.

  14. On modelling the interaction between two rotating bodies with statistically distributed features: an application to dressing of grinding wheels

    Science.gov (United States)

    Spampinato, A.; Axinte, D. A.

    2017-12-01

    The mechanisms of interaction between bodies with statistically arranged features present characteristics common to different abrasive processes, such as dressing of abrasive tools. In contrast with the current empirical approach used to estimate the results of operations based on attritive interactions, the method we present in this paper allows us to predict the output forces and the topography of a simulated grinding wheel for a set of specific operational parameters (speed ratio and radial feed-rate), providing a thorough understanding of the complex mechanisms regulating these processes. In modelling the dressing mechanisms, the abrasive characteristics of both bodies (grain size, geometry, inter-space and protrusion) are first simulated; thus, their interaction is simulated in terms of grain collisions. Exploiting a specifically designed contact/impact evaluation algorithm, the model simulates the collisional effects of the dresser abrasives on the grinding wheel topography (grain fracture/break-out). The method has been tested for the case of a diamond rotary dresser, predicting output forces within less than 10% error and obtaining experimentally validated grinding wheel topographies. The study provides a fundamental understanding of the dressing operation, enabling the improvement of its performance in an industrial scenario, while being of general interest in modelling collision-based processes involving statistically distributed elements.

  15. Modelling magnetic forces during asymmetric vertical displacement events at JET

    International Nuclear Information System (INIS)

    Riccardo, V.; Walker, S.; Noll, P.

    2000-01-01

    Asymmetric vertical disruption events (AVDEs) are fortunately rare, but can induce large lateral forces which can cause significant mechanical damage to tokamaks. In this paper we present a simple model which allows the lateral forces generated during such a disruption to be estimated as a function of relatively easily obtained electromagnetic parameters: the asymmetries in the vertical current moment. This model is validated by using it to predict the displacement history of the JET tokamak caused by a number of major AVDEs. It is shown that the predicted forces and displacements agree well with quantities measured during these disruptions. One conclusion from the model is that the maximum sideways displacement scales with the product of the plasma current and the toroidal field, and this recipe is now used at JET to assess a priori the hazards of performing high current and high field pulses when they are known to be likely to disrupt. (author)

  16. Information driving force and its application in agent-based modeling

    Science.gov (United States)

    Chen, Ting-Ting; Zheng, Bo; Li, Yan; Jiang, Xiong-Fei

    2018-04-01

    Exploring the scientific impact of online big-data has attracted much attention of researchers from different fields in recent years. Complex financial systems are typical open systems profoundly influenced by the external information. Based on the large-scale data in the public media and stock markets, we first define an information driving force, and analyze how it affects the complex financial system. The information driving force is observed to be asymmetric in the bull and bear market states. As an application, we then propose an agent-based model driven by the information driving force. Especially, all the key parameters are determined from the empirical analysis rather than from statistical fitting of the simulation results. With our model, both the stationary properties and non-stationary dynamic behaviors are simulated. Considering the mean-field effect of the external information, we also propose a few-body model to simulate the financial market in the laboratory.

  17. VOF simulations of the contact angle dynamics during the drop spreading: standard models and a new wetting force model.

    Science.gov (United States)

    Malgarinos, Ilias; Nikolopoulos, Nikolaos; Marengo, Marco; Antonini, Carlo; Gavaises, Manolis

    2014-10-01

    In this study,a novel numerical implementation for the adhesion of liquid droplets impacting normally on solid dry surfaces is presented. The advantage of this new approach, compared to the majority of existing models, is that the dynamic contact angle forming during the surface wetting process is not inserted as a boundary condition, but is derived implicitly by the induced fluid flow characteristics (interface shape) and the adhesion physics of the gas-liquid-surface interface (triple line), starting only from the advancing and receding equilibrium contact angles. These angles are required in order to define the wetting properties of liquid phases when interacting with a solid surface. The physical model is implemented as a source term in the momentum equation of a Navier-Stokes CFD flow solver as an "adhesion-like" force which acts at the triple-phase contact line as a result of capillary interactions between the liquid drop and the solid substrate. The numerical simulations capture the liquid-air interface movement by considering the volume of fluid (VOF) method and utilizing an automatic local grid refinement technique in order to increase the accuracy of the predictions at the area of interest, and simultaneously minimize numerical diffusion of the interface. The proposed model is validated against previously reported experimental data of normal impingement of water droplets on dry surfaces at room temperature. A wide range of impact velocities, i.e. Weber numbers from as low as 0.2 up to 117, both for hydrophilic (θadv=10°-70°) and hydrophobic (θadv=105°-120°) surfaces, has been examined. Predictions include in addition to droplet spreading dynamics, the estimation of the dynamic contact angle; the latter is found in reasonable agreement against available experimental measurements. It is thus concluded that theimplementation of this model is an effective approach for overcoming the need of a pre-defined dynamic contact angle law, frequently adopted as

  18. A dynamic force balance model for colloidal expansion and its DLVO-based application.

    Science.gov (United States)

    Liu, Longcheng; Moreno, Luis; Neretnieks, Ivars

    2009-01-20

    A force balance model that describes the dynamic expansion of colloidal bentonite gels/sols is presented. The colloidal particles are assumed to consist of one or several thin sheets with the other dimensions much larger than their thickness. The forces considered include van der Waals force, diffuse double layer force, thermal force giving rise to Brownian motion, gravity, as well as friction force. The model results in an expression resembling the instationary diffusion equation but with an immensely variable diffusivity. This diffusivity is strongly influenced by the concentration of counterions as well as by the particle concentration in the colloid gel/sol. The properties of the model are explored and discussed, exemplified by the upward expansion of an originally highly compacted bentonite tablet in a test tube. Examples are presented for a number of cases with ionic concentrations varying between very dilute waters up to several molar of counterions. The volume fraction of particles ranges from 40% to very dilute sols.

  19. Perspective: Ab initio force field methods derived from quantum mechanics

    Science.gov (United States)

    Xu, Peng; Guidez, Emilie B.; Bertoni, Colleen; Gordon, Mark S.

    2018-03-01

    It is often desirable to accurately and efficiently model the behavior of large molecular systems in the condensed phase (thousands to tens of thousands of atoms) over long time scales (from nanoseconds to milliseconds). In these cases, ab initio methods are difficult due to the increasing computational cost with the number of electrons. A more computationally attractive alternative is to perform the simulations at the atomic level using a parameterized function to model the electronic energy. Many empirical force fields have been developed for this purpose. However, the functions that are used to model interatomic and intermolecular interactions contain many fitted parameters obtained from selected model systems, and such classical force fields cannot properly simulate important electronic effects. Furthermore, while such force fields are computationally affordable, they are not reliable when applied to systems that differ significantly from those used in their parameterization. They also cannot provide the information necessary to analyze the interactions that occur in the system, making the systematic improvement of the functional forms that are used difficult. Ab initio force field methods aim to combine the merits of both types of methods. The ideal ab initio force fields are built on first principles and require no fitted parameters. Ab initio force field methods surveyed in this perspective are based on fragmentation approaches and intermolecular perturbation theory. This perspective summarizes their theoretical foundation, key components in their formulation, and discusses key aspects of these methods such as accuracy and formal computational cost. The ab initio force fields considered here were developed for different targets, and this perspective also aims to provide a balanced presentation of their strengths and shortcomings. Finally, this perspective suggests some future directions for this actively developing area.

  20. Interaction Modeling at PROS Research Center

    OpenAIRE

    Panach , José ,; Aquino , Nathalie; PASTOR , Oscar

    2011-01-01

    Part 1: Long and Short Papers; International audience; This paper describes how the PROS Research Center deals with interaction in the context of a model-driven approach for the development of information systems. Interaction is specified in a conceptual model together with the structure and behavior of the system. Major achievements and current research challenges of PROS in the field of interaction modeling are presented.

  1. Role of attractive forces in tapping tip force microscopy

    DEFF Research Database (Denmark)

    Kyhle, Anders; Sørensen, Alexis Hammer; Bohr, Jakob

    1997-01-01

    We present experimental and numerical results demonstrating the drastic influence of attractive forces on the behaviour of the atomic force microscope when operated in the resonant tapping tip mode in an ambient environment. It is often assumed that tapping is related to repulsive interaction...

  2. Analysis of experimental data: The average shape of extreme wave forces on monopile foundations and the NewForce model

    DEFF Research Database (Denmark)

    Schløer, Signe; Bredmose, Henrik; Ghadirian, Amin

    2017-01-01

    Experiments with a stiff pile subjected to extreme wave forces typical of offshore wind farm storm conditions are considered. The exceedance probability curves of the nondimensional force peaks and crest heights are analysed. The average force time history normalised with their peak values are co...... to the average shapes. For more nonlinear wave shapes, higher order terms has to be considered in order for the NewForce model to be able to predict the expected shapes.......Experiments with a stiff pile subjected to extreme wave forces typical of offshore wind farm storm conditions are considered. The exceedance probability curves of the nondimensional force peaks and crest heights are analysed. The average force time history normalised with their peak values...... are compared across the sea states. It is found that the force shapes show a clear similarity when grouped after the values of the normalised peak force, F/(ρghR2), normalised depth h/(gT2p) and presented in a normalised time scale t/Ta. For the largest force events, slamming can be seen as a distinct ‘hat...

  3. Cloud forcing: A modeling perspective

    International Nuclear Information System (INIS)

    Potter, G.L.; Mobely, R.L.; Drach, R.S.; Corsetti, T.G.; Williams, D.N.; Slingo, J.M.

    1990-11-01

    Radiation fields from a perpetual July integration of a T106 version of the ECMWF operational model are used as surrogate observations of the radiation budget at the top of the atmosphere to illustrate various difficulties that modellers might face when trying to reconcile cloud radiation forcings derived from satellite observations with model-generated ones. Differences between the so-called Methods 1 and 2 of Cess and Potter (1987) and a variant Method 3 are addressed. Method 1 is shown to be the least robust of all methods, due to potential uncertainties related to persistent cloudiness, length of the period over which clear-sky conditions are looked for, biases in retrieved clear-sky quantities due to an insufficient sampling of the diurnal cycle. We advocate the use of Method 2 as the only unambiguous one to produce consistent radiative diagnostics for intercomparing model results. Impact of the three methods on the derived sensitivities and cloud feedbacks following an imposed change in sea surface temperature (used as a surrogate climate change) is discussed. 17 refs., 12 figs., 1 tab

  4. A model of hydraulic interactions in liver parenchyma as forces behind the intrahepatic bile flow.

    Science.gov (United States)

    Kurbel, S; Kurbel, B; Dmitrovic, B; Wagner, J

    2001-05-01

    The small diameters of bile canaliculi and interlobular bile ducts make it hard to attribute the bile flow solely to the process of secretion. In the model liver within its capsule is considered a limited space in which volume expansions of one part are possible only through the shrinking of other parts. The liver capsule allows only very slow volume changes. The rate of blood flow through the sinusoides is governed by the Poisseuill-Hagen law. The model is based on a concept of circulatory liver units. A unit would contain a group of acini sharing the same conditions of arterial flow. We can imagine them as an acinar group behind the last pressure reducer on one arterial branch. Acini from neighboring units compose liver lobules and drain through the same central venule. One lobule can contain acini from several neighboring circulatory units. The perfusion cycle in one unit begins with a transient tide in the arterial flow, governed by local mediators. Corresponding acini expand, grabbing the space by compressing their neighbors in the same lobules. Vascular resistance is reduced in dilated and increased in compressed acini. Portal blood flows through the dilated acini, bypassing the compressed neighbors. The cycle ends when the portal tide slowly diminishes and acinar volume is back on the interphase value until the new perfusion cycle is started in another circulatory unit. Each cycle probably takes minutes to complete. Increased pressures both in dilated and in compressed acini force the bile to move from acinar canalicules. Both up and down changes in acinar volume might force the acinar biliary flow. In cases of arterial vasoconstriction, increased activity of vasoactive substances would keep most of the circulatory units in the interphase and increased liver resistance can be expected. Liver fibrosis makes all acini to be of fixed volume and result in increased resistance. Because of that, low pressure portal flow would be more compromised, as reported. In

  5. The empirical form of the effective nucleon-nucleon interaction in a model space with correlated J = O pairs

    International Nuclear Information System (INIS)

    Akkermans, J.N.L.; Allaart, K.

    1982-01-01

    Like in earlier work by Schiffer et al. the effective interaction is derived from experimental two-body multiplets. However, now the assumption is that a multiplet state is formed by two unpaired fermions relative to a core of correlated J = 0 pairs. Then the need for two ranges, as proposed Schiffer, disappears for the force between identical nucleons in a model space which is large enough to include pairing correlations. A form with a single attractive medium range is preferred for the identical nucleon interaction in order to reproduce collective 2 + states in even-even nuclei. In contrast, the proton-neutron force requires a very short range or two ranges to reproduce the empirical values of multipole coefficients, observed in odd-odd nuclei. Therefore we discuss the fact that the effective interaction is not always isospin invariant. As a typical case broken-pair calculations in the N = 50 region are considered. But the conclusions drawn, will also apply to other regions of the periodic table. (orig.)

  6. Nanostructure and force spectroscopy analysis of human peripheral blood CD4+ T cells using atomic force microscopy

    International Nuclear Information System (INIS)

    Hu Mingqian; Wang Jiongkun; Cai Jiye; Wu Yangzhe; Wang Xiaoping

    2008-01-01

    To date, nanoscale imaging of the morphological changes and adhesion force of CD4 + T cells during in vitro activation remains largely unreported. In this study, we used atomic force microscopy (AFM) to study the morphological changes and specific binding forces in resting and activated human peripheral blood CD4 + T cells. The AFM images revealed that the volume of activated CD4 + T cells increased and the ultrastructure of these cells also became complex. Using a functionalized AFM tip, the strength of the specific binding force of the CD4 antigen-antibody interaction was found to be approximately three times that of the unspecific force. The adhesion forces were not randomly distributed over the surface of a single activated CD4 + T cell, indicated that the CD4 molecules concentrated into nanodomains. The magnitude of the adhesion force of the CD4 antigen-antibody interaction did not change markedly with the activation time. Multiple bonds involved in the CD4 antigen-antibody interaction were measured at different activation times. These results suggest that the adhesion force involved in the CD4 antigen-antibody interaction is highly selective and of high affinity

  7. Nanostructure and force spectroscopy analysis of human peripheral blood CD4+ T cells using atomic force microscopy.

    Science.gov (United States)

    Hu, Mingqian; Wang, Jiongkun; Cai, Jiye; Wu, Yangzhe; Wang, Xiaoping

    2008-09-12

    To date, nanoscale imaging of the morphological changes and adhesion force of CD4(+) T cells during in vitro activation remains largely unreported. In this study, we used atomic force microscopy (AFM) to study the morphological changes and specific binding forces in resting and activated human peripheral blood CD4(+) T cells. The AFM images revealed that the volume of activated CD4(+) T cells increased and the ultrastructure of these cells also became complex. Using a functionalized AFM tip, the strength of the specific binding force of the CD4 antigen-antibody interaction was found to be approximately three times that of the unspecific force. The adhesion forces were not randomly distributed over the surface of a single activated CD4(+) T cell, indicated that the CD4 molecules concentrated into nanodomains. The magnitude of the adhesion force of the CD4 antigen-antibody interaction did not change markedly with the activation time. Multiple bonds involved in the CD4 antigen-antibody interaction were measured at different activation times. These results suggest that the adhesion force involved in the CD4 antigen-antibody interaction is highly selective and of high affinity.

  8. Ensemble urban flood simulation in comparison with laboratory-scale experiments: Impact of interaction models for manhole, sewer pipe, and surface flow

    Science.gov (United States)

    Noh, Seong Jin; Lee, Seungsoo; An, Hyunuk; Kawaike, Kenji; Nakagawa, Hajime

    2016-11-01

    An urban flood is an integrated phenomenon that is affected by various uncertainty sources such as input forcing, model parameters, complex geometry, and exchanges of flow among different domains in surfaces and subsurfaces. Despite considerable advances in urban flood modeling techniques, limited knowledge is currently available with regard to the impact of dynamic interaction among different flow domains on urban floods. In this paper, an ensemble method for urban flood modeling is presented to consider the parameter uncertainty of interaction models among a manhole, a sewer pipe, and surface flow. Laboratory-scale experiments on urban flood and inundation are performed under various flow conditions to investigate the parameter uncertainty of interaction models. The results show that ensemble simulation using interaction models based on weir and orifice formulas reproduces experimental data with high accuracy and detects the identifiability of model parameters. Among interaction-related parameters, the parameters of the sewer-manhole interaction show lower uncertainty than those of the sewer-surface interaction. Experimental data obtained under unsteady-state conditions are more informative than those obtained under steady-state conditions to assess the parameter uncertainty of interaction models. Although the optimal parameters vary according to the flow conditions, the difference is marginal. Simulation results also confirm the capability of the interaction models and the potential of the ensemble-based approaches to facilitate urban flood simulation.

  9. Self-consistent Optomechanical Dynamics and Radiation Forces in Thermal Light Fields

    International Nuclear Information System (INIS)

    Sonnleitner, M.

    2014-01-01

    We discuss two different aspects of the mechanical interaction between neutral matter and electromagnetic radiation.The first part addresses the complex dynamics of an elastic dielectric deformed by optical forces. To do so we use a one-dimensional model describing the medium by an array of beam splitters such that the interaction with the incident waves can be described with a transfer-matrix approach. Since the force on each individual beam splitter is known we thus obtain the correct volumetric force density inside the medium. Sending a light field through an initially homogeneous dielectric then results in density modulations which in turn alter the optical properties of this medium.The second part is concerned with mechanical light-effects on atoms in thermal radiation fields. At hand of a generic setup of an atom interacting with a hot sphere emitting blackbody radiation we show that the emerging gradient force may surpass gravity by several orders of magnitude. The strength of the repulsive scattering force strongly depends on the spectrum of the involved atoms and can be neglected in some setups. A special emphasis lies on possible implications on astrophysical scenarios where the interactions between heated dust and atoms, molecules or nanoparticles are of crucial interest. (author) [de

  10. Vector-Interaction-Enhanced Bag Model

    Science.gov (United States)

    Cierniak, Mateusz; Klähn, Thomas; Fischer, Tobias; Bastian, Niels-Uwe

    2018-02-01

    A commonly applied quark matter model in astrophysics is the thermodynamic bag model (tdBAG). The original MIT bag model approximates the effect of quark confinement, but does not explicitly account for the breaking of chiral symmetry, an important property of Quantum Chromodynamics (QCD). It further ignores vector repulsion. The vector-interaction-enhanced bag model (vBag) improves the tdBAG approach by accounting for both dynamical chiral symmetry breaking and repulsive vector interactions. The latter is of particular importance to studies of dense matter in beta-equilibriumto explain the two solar mass maximum mass constraint for neutron stars. The model is motivated by analyses of QCD based Dyson-Schwinger equations (DSE), assuming a simple quark-quark contact interaction. Here, we focus on the study of hybrid neutron star properties resulting from the application of vBag and will discuss possible extensions.

  11. Dynamically adjustable foot-ground contact model to estimate ground reaction force during walking and running.

    Science.gov (United States)

    Jung, Yihwan; Jung, Moonki; Ryu, Jiseon; Yoon, Sukhoon; Park, Sang-Kyoon; Koo, Seungbum

    2016-03-01

    Human dynamic models have been used to estimate joint kinetics during various activities. Kinetics estimation is in demand in sports and clinical applications where data on external forces, such as the ground reaction force (GRF), are not available. The purpose of this study was to estimate the GRF during gait by utilizing distance- and velocity-dependent force models between the foot and ground in an inverse-dynamics-based optimization. Ten males were tested as they walked at four different speeds on a force plate-embedded treadmill system. The full-GRF model whose foot-ground reaction elements were dynamically adjusted according to vertical displacement and anterior-posterior speed between the foot and ground was implemented in a full-body skeletal model. The model estimated the vertical and shear forces of the GRF from body kinematics. The shear-GRF model with dynamically adjustable shear reaction elements according to the input vertical force was also implemented in the foot of a full-body skeletal model. Shear forces of the GRF were estimated from body kinematics, vertical GRF, and center of pressure. The estimated full GRF had the lowest root mean square (RMS) errors at the slow walking speed (1.0m/s) with 4.2, 1.3, and 5.7% BW for anterior-posterior, medial-lateral, and vertical forces, respectively. The estimated shear forces were not significantly different between the full-GRF and shear-GRF models, but the RMS errors of the estimated knee joint kinetics were significantly lower for the shear-GRF model. Providing COP and vertical GRF with sensors, such as an insole-type pressure mat, can help estimate shear forces of the GRF and increase accuracy for estimation of joint kinetics. Copyright © 2016 Elsevier B.V. All rights reserved.

  12. Basset force in numerical models of saltation

    Czech Academy of Sciences Publication Activity Database

    Lukerchenko, Nikolay; Dolanský, Jindřich; Vlasák, Pavel

    2012-01-01

    Roč. 60, č. 4 (2012), s. 277-287 ISSN 0042-790X R&D Projects: GA ČR GA103/09/1718 Institutional research plan: CEZ:AV0Z20600510 Keywords : basset force * bed load transport * numerical model * particle-bed collision Subject RIV: BK - Fluid Dynamics Impact factor: 0.653, year: 2012

  13. Long-range force and moment calculations in multiresolution simulations of molecular systems

    International Nuclear Information System (INIS)

    Poursina, Mohammad; Anderson, Kurt S.

    2012-01-01

    Multiresolution simulations of molecular systems such as DNAs, RNAs, and proteins are implemented using models with different resolutions ranging from a fully atomistic model to coarse-grained molecules, or even to continuum level system descriptions. For such simulations, pairwise force calculation is a serious bottleneck which can impose a prohibitive amount of computational load on the simulation if not performed wisely. Herein, we approximate the resultant force due to long-range particle-body and body-body interactions applicable to multiresolution simulations. Since the resultant force does not necessarily act through the center of mass of the body, it creates a moment about the mass center. Although this potentially important torque is neglected in many coarse-grained models which only use particle dynamics to formulate the dynamics of the system, it should be calculated and used when coarse-grained simulations are performed in a multibody scheme. Herein, the approximation for this moment due to far-field particle-body and body-body interactions is also provided.

  14. Unlocking higher harmonics in atomic force microscopy with gentle interactions.

    Science.gov (United States)

    Santos, Sergio; Barcons, Victor; Font, Josep; Verdaguer, Albert

    2014-01-01

    In dynamic atomic force microscopy, nanoscale properties are encoded in the higher harmonics. Nevertheless, when gentle interactions and minimal invasiveness are required, these harmonics are typically undetectable. Here, we propose to externally drive an arbitrary number of exact higher harmonics above the noise level. In this way, multiple contrast channels that are sensitive to compositional variations are made accessible. Numerical integration of the equation of motion shows that the external introduction of exact harmonic frequencies does not compromise the fundamental frequency. Thermal fluctuations are also considered within the detection bandwidth of interest and discussed in terms of higher-harmonic phase contrast in the presence and absence of an external excitation of higher harmonics. Higher harmonic phase shifts further provide the means to directly decouple the true topography from that induced by compositional heterogeneity.

  15. Creep force modelling for rail traction vehicles based on the Fastsim algorithm

    Science.gov (United States)

    Spiryagin, Maksym; Polach, Oldrich; Cole, Colin

    2013-11-01

    The evaluation of creep forces is a complex task and their calculation is a time-consuming process for multibody simulation (MBS). A methodology of creep forces modelling at large traction creepages has been proposed by Polach [Creep forces in simulations of traction vehicles running on adhesion limit. Wear. 2005;258:992-1000; Influence of locomotive tractive effort on the forces between wheel and rail. Veh Syst Dyn. 2001(Suppl);35:7-22] adapting his previously published algorithm [Polach O. A fast wheel-rail forces calculation computer code. Veh Syst Dyn. 1999(Suppl);33:728-739]. The most common method for creep force modelling used by software packages for MBS of running dynamics is the Fastsim algorithm by Kalker [A fast algorithm for the simplified theory of rolling contact. Veh Syst Dyn. 1982;11:1-13]. However, the Fastsim code has some limitations which do not allow modelling the creep force - creep characteristic in agreement with measurements for locomotives and other high-power traction vehicles, mainly for large traction creep at low-adhesion conditions. This paper describes a newly developed methodology based on a variable contact flexibility increasing with the ratio of the slip area to the area of adhesion. This variable contact flexibility is introduced in a modification of Kalker's code Fastsim by replacing the constant Kalker's reduction factor, widely used in MBS, by a variable reduction factor together with a slip-velocity-dependent friction coefficient decreasing with increasing global creepage. The proposed methodology is presented in this work and compared with measurements for different locomotives. The modification allows use of the well recognised Fastsim code for simulation of creep forces at large creepages in agreement with measurements without modifying the proven modelling methodology at small creepages.

  16. Lattice model for amyloid peptides: OPEP force field parametrization and applications to the nucleus size of Alzheimer’s peptides

    Energy Technology Data Exchange (ETDEWEB)

    Tran, Thanh Thuy; Nguyen, Phuong H., E-mail: phuong.nguyen@ibpc.fr; Derreumaux, Philippe, E-mail: philippe.derreumaux@ibpc.fr [Laboratoire de Biochimie Théorique, UPR 9080, CNRS, Université Denis Diderot, Sorbonne Paris Cité IBPC, 13 rue Pierre et Marie Curie, 75005 Paris (France)

    2016-05-28

    Coarse-grained protein lattice models approximate atomistic details and keep the essential interactions. They are, therefore, suitable for capturing generic features of protein folding and amyloid formation at low computational cost. As our aim is to study the critical nucleus sizes of two experimentally well-characterized peptide fragments Aβ{sub 16−22} and Aβ{sub 37−42} of the full length Aβ{sub 1−42} Alzheimer’s peptide, it is important that simulations with the lattice model reproduce all-atom simulations. In this study, we present a comprehensive force field parameterization based on the OPEP (Optimized Potential for Efficient protein structure Prediction) force field for an on-lattice protein model, which incorporates explicitly the formation of hydrogen bonds and directions of side-chains. Our bottom-up approach starts with the determination of the best lattice force parameters for the Aβ{sub 16−22} dimer by fitting its equilibrium parallel and anti-parallel β-sheet populations to all-atom simulation results. Surprisingly, the calibrated force field is transferable to the trimer of Aβ{sub 16−22} and the dimer and trimer of Aβ{sub 37−42}. Encouraged by this finding, we characterized the free energy landscapes of the two decamers. The dominant structure of the Aβ{sub 16−22} decamer matches the microcrystal structure. Pushing the simulations for aggregates between 4-mer and 12-mer suggests a nucleus size for fibril formation of 10 chains. In contrast, the Aβ{sub 37−42} decamer is largely disordered with mixed by parallel and antiparallel chains, suggesting that the nucleus size is >10 peptides. Our refined force field coupled to this on-lattice model should provide useful insights into the critical nucleation number associated with neurodegenerative diseases.

  17. Modeling of Dynamic Fluid Forces in Fast Switching Valves

    DEFF Research Database (Denmark)

    Roemer, Daniel Beck; Johansen, Per; Pedersen, Henrik Clemmensen

    2015-01-01

    Switching valves experience opposing fluid forces due to movement of the moving member itself, as the surrounding fluid volume must move to accommodate the movement. This movement-induced fluid force may be divided into three main components; the added mass term, the viscous term and the socalled...... history term. For general valve geometries there are no simple solution to either of these terms. During development and design of such switching valves, it is therefore, common practice to use simple models to describe the opposing fluid forces, neglecting all but the viscous term which is determined...... based on shearing areas and venting channels. For fast acting valves the opposing fluid force may retard the valve performance significantly, if appropriate measures are not taken during the valve design. Unsteady Computational Fluid Dynamics (CFD) simulations are available to simulate the total fluid...

  18. Experimental and analytical studies of a deeply embedded reactor building model considering soil-building interaction. Pt. 3

    International Nuclear Information System (INIS)

    Tanaka, H.

    1983-01-01

    The paper describes the dynamic charachteristics of a deeply embedded reactor building model obtained from the forced vibration tests, earthquake observations and simulation analysis. The earthquake records of the structure and the surrounding soil were examined by using soil-building interaction model as used in the analyses of the forced vibration tests. It is considered that the response of the structure will be influenced by the seismic behaviour of the soil layer as the seismic wave is input to the bedrock of the soil-structure interaction model in the earthquake response analysis. Therefore, dynamic properties of the soil layer during earthquakes were investigated in detail, and applied to the seismic simulation analysis using soil-structure interaction model. Many earthquake records have been obtained since June, 1976 when the earthquake observation system was first established. From these, eight of them which had comparatively large acceleration values were used to investigate the transfer properties of soil layer. Besides, transfer functions computed using in-situ measurement shearing wave velocity showed good agreement with those of the earthquake records. The records of the Miyagiken-oki earthquake of February 20, 1978 (magnitude 6.7) was selected as an example for performing simulation analysis. The simulation analysis are as follows: (1) In the seismic simulation analysis using soil-structure interaction modal, computed results will be in good agreement with the observed ones, when the transfer function of soil layer is properly estimated. (2) Judging from the transfer function of soil layer with the characteristics that the modal damping value decreases gradually at a higher modal frequency, it is found that ddamping of soil-layer can be simulated more adequately by introducing external damping system together with structural damping. (orig./HP)

  19. Electrostatic forces on grains near asteroids and comets

    Directory of Open Access Journals (Sweden)

    Hartzell Christine

    2017-01-01

    Full Text Available Dust on and near the surface of small planetary bodies (e.g. asteroids, the Moon, Mars’ moons is subject to gravity, cohesion and electrostatic forces. Due to the very low gravity on small bodies, the behavior of small dust grains is driven by non-gravitational forces. Recent work by Scheeres et al. has shown that cohesion, specifically van der Waals force, is significant for grains on asteroids. In addition to van der Waals cohesion, dust grains also experience electrostatic forces, arising from their interaction with each other (through tribocharging and the solar wind plasma (which produces both grain charging and an external electric field. Electrostatic forces influence both the interactions of grains on the surface of small bodies as well as the dynamics of grains in the plasma sheath above the surface. While tribocharging between identical dielectric grains remains poorly understood, we have recently expanded an existing charge transfer model to consider continuous size distributions of grains and are planning an experiment to test the charge predictions produced. Additionally, we will present predictions of the size of dust grains that are capable of detaching from the surface of small bodies.

  20. Patterns in coupled water and energy cycle: Modeling, synthesis with observations, and assessing the subsurface-landsurface interactions

    Science.gov (United States)

    Rahman, A.; Kollet, S. J.; Sulis, M.

    2013-12-01

    In the terrestrial hydrological cycle, the atmosphere and the free groundwater table act as the upper and lower boundary condition, respectively, in the non-linear two-way exchange of mass and energy across the land surface. Identifying and quantifying the interactions among various atmospheric-subsurface-landsurface processes is complicated due to the diverse spatiotemporal scales associated with these processes. In this study, the coupled subsurface-landsurface model ParFlow.CLM was applied over a ~28,000 km2 model domain encompassing the Rur catchment, Germany, to simulate the fluxes of the coupled water and energy cycle. The model was forced by hourly atmospheric data from the COSMO-DE model (numerical weather prediction system of the German Weather Service) over one year. Following a spinup period, the model results were synthesized with observed river discharge, soil moisture, groundwater table depth, temperature, and landsurface energy flux data at different sites in the Rur catchment. It was shown that the model is able to reproduce reasonably the dynamics and also absolute values in observed fluxes and state variables without calibration. The spatiotemporal patterns in simulated water and energy fluxes as well as the interactions were studied using statistical, geostatistical and wavelet transform methods. While spatial patterns in the mass and energy fluxes can be predicted from atmospheric forcing and power law scaling in the transition and winter months, it appears that, in the summer months, the spatial patterns are determined by the spatially correlated variability in groundwater table depth. Continuous wavelet transform techniques were applied to study the variability of the catchment average mass and energy fluxes at varying time scales. From this analysis, the time scales associated with significant interactions among different mass and energy balance components were identified. The memory of precipitation variability in subsurface hydrodynamics

  1. A non-perturbative approach to jet cross-sections and a new model for hadron-hadron interactions

    International Nuclear Information System (INIS)

    Andersson, B.

    1986-01-01

    The author discusses two subjects in this work. The first is a description of a non-perturbative approach to calculate the probabilities to obtain a particular state of confined force field in a hard interaction like e/sup +/e/sup -/ annihilation. This approach has been discussed previously by the author. There are at this time many more results of the program, in particular, some rather puzzling and disturbing ones as compared to the results obtained in perturbative QCD. The second subject is a new approach to hadron-hadron inelastic scattering. A model for these interactions based upon multiple perturbative parton interactions and subsequent string-stretching and breaking has been formulated by others in earlier works

  2. On the Relationship between Aquatic Plant Stem Characteristics and Drag Force: Is a Modeling Application Possible?

    Directory of Open Access Journals (Sweden)

    Anna Maria Łoboda

    2018-04-01

    Full Text Available This paper presents a basic model that shows the relationship between the diameter of a stem and its flexural rigidity. The model was developed from experimental measurements of biomechanical traits (i.e., tensile and bending traits like maximum forces, stresses, moduli of elasticity, flexural rigidity, strain of three freshwater macrophyte species (Elodea canadensis Michx., Potamogeton pectinatus L., and P. crispus L., reflecting the seasonal changes in plant biomechanics throughout the vegetative season. These were obtained with the use of a bench-top testing machine in 2016 and 2017. The presented calculations are based on the ratio of drag-to-bending forces, in which the flexural rigidity plays a key role. The proposed model has the form EI = adb, and two approaches based on a regression analysis were applied to determine the parameters of the model—a and b. In the first method, the parameters were identified separately for each day of measurement, while in the second method, the coefficient b was calculated for all data from all days as a unified number for individual plants. The results suggest that coefficient b may provide information about the proportion of changes in drag forces depending on plant stiffness. The values of this coefficient were associated with the shape of the stem cross-section. The more circular the cross-section, the closer the value of the parameter was to 1. The parameter values were 1.60 for E. canadensis, 1.98 for P. pectinatus, and 2.46 for P. crispus. Moreover, this value also depended on the density of the cross-section structure. Most of the results showed that with an increase in stem diameter, the ratio between the drag and bending forces decreased, which led to fewer differences between these two forces. The model application may be introduced in many laboratory measurements of flow–biota interactions as well as in aquatic plant management applications. The implementation of these results in control

  3. Hyperspherical effective interaction for nonlocal potentials

    International Nuclear Information System (INIS)

    Barnea, N.; Leidemann, W.; Orlandini, G.

    2010-01-01

    The effective interaction hyperspherical-harmonics method, formulated for local forces, is generalized to accommodate nonlocal interactions. As for local potentials this formulation retains the separation of the hyper-radial part leading solely to a hyperspherical effective interaction. By applying the method to study ground-state properties of 4 He with a modern effective-field-theory nucleon-nucleon potential model (Idaho-N3LO), one finds a substantial acceleration in the convergence rate of the hyperspherical-harmonics series. Also studied are the binding energies of the six-body nuclei 6 He and 6 Li with the JISP16 nuclear force. Again an excellent convergence is observed.

  4. Evaluating amber force fields using computed NMR chemical shifts.

    Science.gov (United States)

    Koes, David R; Vries, John K

    2017-10-01

    NMR chemical shifts can be computed from molecular dynamics (MD) simulations using a template matching approach and a library of conformers containing chemical shifts generated from ab initio quantum calculations. This approach has potential utility for evaluating the force fields that underlie these simulations. Imperfections in force fields generate flawed atomic coordinates. Chemical shifts obtained from flawed coordinates have errors that can be traced back to these imperfections. We use this approach to evaluate a series of AMBER force fields that have been refined over the course of two decades (ff94, ff96, ff99SB, ff14SB, ff14ipq, and ff15ipq). For each force field a series of MD simulations are carried out for eight model proteins. The calculated chemical shifts for the 1 H, 15 N, and 13 C a atoms are compared with experimental values. Initial evaluations are based on root mean squared (RMS) errors at the protein level. These results are further refined based on secondary structure and the types of atoms involved in nonbonded interactions. The best chemical shift for identifying force field differences is the shift associated with peptide protons. Examination of the model proteins on a residue by residue basis reveals that force field performance is highly dependent on residue position. Examination of the time course of nonbonded interactions at these sites provides explanations for chemical shift differences at the atomic coordinate level. Results show that the newer ff14ipq and ff15ipq force fields developed with the implicitly polarized charge method perform better than the older force fields. © 2017 Wiley Periodicals, Inc.

  5. A radial distribution function-based open boundary force model for multi-centered molecules

    KAUST Repository

    Neumann, Philipp; Eckhardt, Wolfgang; Bungartz, Hans-Joachim

    2014-01-01

    We derive an expression for radial distribution function (RDF)-based open boundary forcing for molecules with multiple interaction sites. Due to the high-dimensionality of the molecule configuration space and missing rotational invariance, a

  6. Magnetostatic interactions and forces between cylindrical permanent magnets

    International Nuclear Information System (INIS)

    Vokoun, David; Beleggia, Marco; Heller, Ludek; Sittner, Petr

    2009-01-01

    Permanent magnets of various shapes are often utilized in magnetic actuators, sensors or releasable magnetic fasteners. Knowledge of the magnetic force is required to control devices reliably. Here, we introduce an analytical expression for calculating the attraction force between two cylindrical permanent magnets on the assumption of uniform magnetization. Although the assumption is not fulfilled exactly in cylindrical magnets, we obtain a very good agreement between the calculated and measured forces between two identical cylindrical magnets and within an array of NdFeB cylindrical magnets.

  7. Experimental Validation of Flow Force Models for Fast Switching Valves

    DEFF Research Database (Denmark)

    Bender, Niels Christian; Pedersen, Henrik Clemmensen; Nørgård, Christian

    2017-01-01

    This paper comprises a detailed study of the forces acting on a Fast Switching Valve (FSV) plunger. The objective is to investigate to what extend different models are valid to be used for design purposes. These models depend on the geometry of the moving plunger and the properties of the surroun......This paper comprises a detailed study of the forces acting on a Fast Switching Valve (FSV) plunger. The objective is to investigate to what extend different models are valid to be used for design purposes. These models depend on the geometry of the moving plunger and the properties...... to compare and validate different models, where an effort is directed towards capturing the fluid squeeze effect just before material on material contact. The test data is compared with simulation data relying solely on analytic formulations. The general dynamics of the plunger is validated...

  8. Modelling the cutting edge radius size effect for force prediction in micro milling

    DEFF Research Database (Denmark)

    Bissacco, Giuliano; Hansen, Hans Nørgaard; Jan, Slunsky

    2008-01-01

    This paper presents a theoretical model for cutting force prediction in micro milling, taking into account the cutting edge radius size effect, the tool run out and the deviation of the chip flow angle from the inclination angle. A parameterization according to the uncut chip thickness to cutting...... edge radius ratio is used for the parameters involved in the force calculation. The model was verified by means of cutting force measurements in micro milling. The results show good agreement between predicted and measured forces. It is also demonstrated that the use of the Stabler's rule...... is a reasonable approximation and that micro end mill run out is effectively compensated by the deflections induced by the cutting forces....

  9. A 3D unstructured grid nearshore hydrodynamic model based on the vortex force formalism

    Science.gov (United States)

    Zheng, Peng; Li, Ming; van der A, Dominic A.; van der Zanden, Joep; Wolf, Judith; Chen, Xueen; Wang, Caixia

    2017-08-01

    A new three-dimensional nearshore hydrodynamic model system is developed based on the unstructured-grid version of the third generation spectral wave model SWAN (Un-SWAN) coupled with the three-dimensional ocean circulation model FVCOM to enable the full representation of the wave-current interaction in the nearshore region. A new wave-current coupling scheme is developed by adopting the vortex-force (VF) scheme to represent the wave-current interaction. The GLS turbulence model is also modified to better reproduce wave-breaking enhanced turbulence, together with a roller transport model to account for the effect of surface wave roller. This new model system is validated first against a theoretical case of obliquely incident waves on a planar beach, and then applied to three test cases: a laboratory scale experiment of normal waves on a beach with a fixed breaker bar, a field experiment of oblique incident waves on a natural, sandy barred beach (Duck'94 experiment), and a laboratory study of normal-incident waves propagating around a shore-parallel breakwater. Overall, the model predictions agree well with the available measurements in these tests, illustrating the robustness and efficiency of the present model for very different spatial scales and hydrodynamic conditions. Sensitivity tests indicate the importance of roller effects and wave energy dissipation on the mean flow (undertow) profile over the depth. These tests further suggest to adopt a spatially varying value for roller effects across the beach. In addition, the parameter values in the GLS turbulence model should be spatially inhomogeneous, which leads to better prediction of the turbulent kinetic energy and an improved prediction of the undertow velocity profile.

  10. The Ambiguity of Militarization : The complex interaction between the Congolese armed forces and civilians in the Kivu provinces, eastern DR Congo

    NARCIS (Netherlands)

    Verweijen, J.E.C.

    2015-01-01

    Drawing on extensive ethnographic field research, this dissertation explores the interaction between the Congolese armed forces (FARDC) and civilians in the eastern DR Congo’s conflict-ridden Kivu provinces. It uncovers the multidimensionality, reciprocity and complexities of this interaction, which

  11. Bio-inspired ciliary force sensor for robotic platforms

    KAUST Repository

    Ribeiro, Pedro; Khan, Mohammed Asadullah; Alfadhel, Ahmed; Kosel, Jü rgen; Franco, Fernando; Cardoso, Susana; Bernardino, Alexandre; Schmitz, Alexander; Santos-Victor, Jose; Jamone, Lorenzo

    2017-01-01

    The detection of small forces is of great interest in any robotic application that involves interaction with the environment (e.g., objects manipulation, physical human-robot interaction, minimally invasive surgery), since it allows the robot to detect the contacts early on and to act accordingly. In this letter, we present a sensor design inspired by the ciliary structure frequently found in nature, consisting of an array of permanently magnetized cylinders (cilia) patterned over a giant magnetoresistance sensor (GMR). When these cylinders are deformed in shape due to applied forces, the stray magnetic field variation will change the GMR sensor resistivity, thus enabling the electrical measurement of the applied force. In this letter, we present two 3 mm × 3 mm prototypes composed of an array of five cilia with 1 mm of height and 120 and 200 μm of diameter for each prototype. A minimum force of 333 μN was measured. A simulation model for determining the magnetized cylinders average stray magnetic field is also presented.

  12. Bio-inspired ciliary force sensor for robotic platforms

    KAUST Repository

    Ribeiro, Pedro

    2017-01-20

    The detection of small forces is of great interest in any robotic application that involves interaction with the environment (e.g., objects manipulation, physical human-robot interaction, minimally invasive surgery), since it allows the robot to detect the contacts early on and to act accordingly. In this letter, we present a sensor design inspired by the ciliary structure frequently found in nature, consisting of an array of permanently magnetized cylinders (cilia) patterned over a giant magnetoresistance sensor (GMR). When these cylinders are deformed in shape due to applied forces, the stray magnetic field variation will change the GMR sensor resistivity, thus enabling the electrical measurement of the applied force. In this letter, we present two 3 mm × 3 mm prototypes composed of an array of five cilia with 1 mm of height and 120 and 200 μm of diameter for each prototype. A minimum force of 333 μN was measured. A simulation model for determining the magnetized cylinders average stray magnetic field is also presented.

  13. Modeling good research practices--overview: a report of the ISPOR-SMDM Modeling Good Research Practices Task Force-1.

    Science.gov (United States)

    Caro, J Jaime; Briggs, Andrew H; Siebert, Uwe; Kuntz, Karen M

    2012-01-01

    Models-mathematical frameworks that facilitate estimation of the consequences of health care decisions-have become essential tools for health technology assessment. Evolution of the methods since the first ISPOR modeling task force reported in 2003 has led to a new task force, jointly convened with the Society for Medical Decision Making, and this series of seven papers presents the updated recommendations for best practices in conceptualizing models; implementing state-transition approaches, discrete event simulations, or dynamic transmission models; dealing with uncertainty; and validating and reporting models transparently. This overview introduces the work of the task force, provides all the recommendations, and discusses some quandaries that require further elucidation. The audience for these papers includes those who build models, stakeholders who utilize their results, and, indeed, anyone concerned with the use of models to support decision making.

  14. The Simple Metals and New Models of the Interacting-Electron-Gas Type: I. Anomalous Plasmon Dispersion Relations in Heavy Alkali Metals

    Science.gov (United States)

    Okuda, Takashi; Horio, Kohji; Ohmura, Yoshihiro; Mizuno, Yukio

    2018-06-01

    The well-known interacting-electron-gas model of metallic states is modified by replacing the Coulomb interaction by a truncated one to weaken the repulsive force between electrons at short distances. The new model is applied to the so-called simple metals and is found far superior to the old one. Most of the calculations are carried out successfully on the basis of the random-phase-approximation (RPA), which is known much too poor for the old familiar model. In the present paper the numerical value of the new parameter peculiar to the new model is determined systematically with the help of the observed plasmon spectrum for each metal.

  15. 3D modeling of olive tree and simulating the harvesting forces

    Directory of Open Access Journals (Sweden)

    Glăvan Dan Ovidiu

    2017-01-01

    Full Text Available The paper presents the results of the study regarding the influence of shaking forces on olive tree harvesting systems. Shaking forces can be released through several methods. Important is the end result, namely the shaking force and the cadence of shaking speed. Mechanical and automatic harvesting methods collect more olives than traditional methods but may damage the olive trees. In order to prevent this damage, we need to calculate the necessary shaking force. An original research method is proposed to simulate shaking forces using a 3D olive tree model with Autodesk Inventor software. In the experiments, we use different shaking forces and various shaking speeds. We also use different diameters of the olive tree trunk. We analyze the results from this experiment to determine the optimal shaking force for harvesting olives without damaging the olive tree.

  16. Determination of a silane intermolecular force field potential model from an ab initio calculation

    International Nuclear Information System (INIS)

    Li, Arvin Huang-Te; Chao, Sheng D.; Chang, Chien-Cheng

    2010-01-01

    Intermolecular interaction potentials of the silane dimer in 12 orientations have been calculated by using the Hartree-Fock (HF) self-consistent theory and the second-order Moeller-Plesset (MP2) perturbation theory. We employed basis sets from Pople's medium-size basis sets [up to 6-311++G(3df, 3pd)] and Dunning's correlation consistent basis sets (up to the triply augmented correlation-consistent polarized valence quadruple-zeta basis set). We found that the minimum energy orientations were the G and H conformers. We have suggested that the Si-H attractions, the central silicon atom size, and electronegativity play essential roles in weakly binding of a silane dimer. The calculated MP2 potential data were employed to parametrize a five-site force field for molecular simulations. The Si-Si, Si-H, and H-H interaction parameters in a pairwise-additive, site-site potential model for silane molecules were regressed from the ab initio energies.

  17. Noncentral forces and lattice vibration in transition metals. Alpha-iron, chromium, and tungsten

    Energy Technology Data Exchange (ETDEWEB)

    Singh, V P; Kharoo, H L; Kumar, M; Hemkar, M P [Allahabad Univ. (India). Dept. of Physics

    1976-03-11

    The elastic-force model proposed in a previous paper has been considered to compute the phonon dispersion relations for lattice waves propagating along the principal symmetry directions of ..cap alpha..-iron, chromium and tungsten. The model, however, takes into account the central forces together with the Clark, Gazis and Wallis type angular forces and the effect of electron-iron interaction on the lattice vibration as outlined by Krebs. The theoretical results are found to be quite satisfactory and compare well with recent neutron scattering data.

  18. Forces in strategy formation

    DEFF Research Database (Denmark)

    Steensen, Elmer Fly; Sanchez, Ron

    2008-01-01

    This chapter proposes that organizational strategy formation should be characterized theoretically as a process that is subject to several interacting forces, rather than represented by separate discrete decisionmodels or theoretic perspectives, as is commonly done in the strategic management...... literature. Based on an extensive review of relevant theory and empirical work in strategic decision-making, organizational change theory, cognitive and social psychology, and strategy processes, seven kinds of ''forces'' - rational, imposed, teleological, learning, political, heuristic, and social...... - are identified as interacting in and having significant influence on the strategy formation process. It is further argued that by applying a holistic ''forces-view'' of the significant and interacting influences on strategy formation, we can better understand the dynamics and challenges in managing the process...

  19. Time domain contact model for tyre/road interaction including nonlinear contact stiffness due to small-scale roughness

    Science.gov (United States)

    Andersson, P. B. U.; Kropp, W.

    2008-11-01

    Rolling resistance, traction, wear, excitation of vibrations, and noise generation are all attributes to consider in optimisation of the interaction between automotive tyres and wearing courses of roads. The key to understand and describe the interaction is to include a wide range of length scales in the description of the contact geometry. This means including scales on the order of micrometres that have been neglected in previous tyre/road interaction models. A time domain contact model for the tyre/road interaction that includes interfacial details is presented. The contact geometry is discretised into multiple elements forming pairs of matching points. The dynamic response of the tyre is calculated by convolving the contact forces with pre-calculated Green's functions. The smaller-length scales are included by using constitutive interfacial relations, i.e. by using nonlinear contact springs, for each pair of contact elements. The method is presented for normal (out-of-plane) contact and a method for assessing the stiffness of the nonlinear springs based on detailed geometry and elastic data of the tread is suggested. The governing equations of the nonlinear contact problem are solved with the Newton-Raphson iterative scheme. Relations between force, indentation, and contact stiffness are calculated for a single tread block in contact with a road surface. The calculated results have the same character as results from measurements found in literature. Comparison to traditional contact formulations shows that the effect of the small-scale roughness is large; the contact stiffness is only up to half of the stiffness that would result if contact is made over the whole element directly to the bulk of the tread. It is concluded that the suggested contact formulation is a suitable model to include more details of the contact interface. Further, the presented result for the tread block in contact with the road is a suitable input for a global tyre/road interaction model

  20. Atomic force microscopy and force spectroscopy on the assessment of protein folding and functionality.

    Science.gov (United States)

    Carvalho, Filomena A; Martins, Ivo C; Santos, Nuno C

    2013-03-01

    Atomic force microscopy (AFM) applied to biological systems can, besides generating high-quality and well-resolved images, be employed to study protein folding via AFM-based force spectroscopy. This approach allowed remarkable advances in the measurement of inter- and intramolecular interaction forces with piconewton resolution. The detection of specific interaction forces between molecules based on the AFM sensitivity and the manipulation of individual molecules greatly advanced the understanding of intra-protein and protein-ligand interactions. Apart from the academic interest in the resolution of basic scientific questions, this technique has also key importance on the clarification of several biological questions of immediate biomedical relevance. Force spectroscopy is an especially appropriate technique for "mechanical proteins" that can provide crucial information on single protein molecules and/or domains. Importantly, it also has the potential of combining in a single experiment spatial and kinetic measurements. Here, the main principles of this methodology are described, after which the ability to measure interactions at the single-molecule level is discussed, in the context of relevant protein-folding examples. We intend to demonstrate the potential of AFM-based force spectroscopy in the study of protein folding, especially since this technique is able to circumvent some of the difficulties typically encountered in classical thermal/chemical denaturation studies. Copyright © 2012 Elsevier Inc. All rights reserved.

  1. Host model uncertainties in aerosol radiative forcing estimates: results from the AeroCom Prescribed intercomparison study

    Directory of Open Access Journals (Sweden)

    P. Stier

    2013-03-01

    Full Text Available Simulated multi-model "diversity" in aerosol direct radiative forcing estimates is often perceived as a measure of aerosol uncertainty. However, current models used for aerosol radiative forcing calculations vary considerably in model components relevant for forcing calculations and the associated "host-model uncertainties" are generally convoluted with the actual aerosol uncertainty. In this AeroCom Prescribed intercomparison study we systematically isolate and quantify host model uncertainties on aerosol forcing experiments through prescription of identical aerosol radiative properties in twelve participating models. Even with prescribed aerosol radiative properties, simulated clear-sky and all-sky aerosol radiative forcings show significant diversity. For a purely scattering case with globally constant optical depth of 0.2, the global-mean all-sky top-of-atmosphere radiative forcing is −4.47 Wm−2 and the inter-model standard deviation is 0.55 Wm−2, corresponding to a relative standard deviation of 12%. For a case with partially absorbing aerosol with an aerosol optical depth of 0.2 and single scattering albedo of 0.8, the forcing changes to 1.04 Wm−2, and the standard deviation increases to 1.01 W−2, corresponding to a significant relative standard deviation of 97%. However, the top-of-atmosphere forcing variability owing to absorption (subtracting the scattering case from the case with scattering and absorption is low, with absolute (relative standard deviations of 0.45 Wm−2 (8% clear-sky and 0.62 Wm−2 (11% all-sky. Scaling the forcing standard deviation for a purely scattering case to match the sulfate radiative forcing in the AeroCom Direct Effect experiment demonstrates that host model uncertainties could explain about 36% of the overall sulfate forcing diversity of 0.11 Wm−2 in the AeroCom Direct Radiative Effect experiment. Host model errors in aerosol radiative forcing are largest in regions of uncertain host model

  2. Using Interaction Scenarios to Model Information Systems

    DEFF Research Database (Denmark)

    Bækgaard, Lars; Bøgh Andersen, Peter

    The purpose of this paper is to define and discuss a set of interaction primitives that can be used to model the dynamics of socio-technical activity systems, including information systems, in a way that emphasizes structural aspects of the interaction that occurs in such systems. The primitives...... a number of case studies that indicate that interaction primitives can be useful modeling tools for supplementing conventional flow-oriented modeling of business processes....... are based on a unifying, conceptual definition of the disparate interaction types - a robust model of the types. The primitives can be combined and may thus represent mediated interaction. We present a set of visualizations that can be used to define multiple related interactions and we present and discuss...

  3. Modeling Climate Responses to Spectral Solar Forcing on Centennial and Decadal Time Scales

    Science.gov (United States)

    Wen, G.; Cahalan, R.; Rind, D.; Jonas, J.; Pilewskie, P.; Harder, J.

    2012-01-01

    We report a series of experiments to explore clima responses to two types of solar spectral forcing on decadal and centennial time scales - one based on prior reconstructions, and another implied by recent observations from the SORCE (Solar Radiation and Climate Experiment) SIM (Spectral 1rradiance Monitor). We apply these forcings to the Goddard Institute for Space Studies (GISS) Global/Middle Atmosphere Model (GCMAM). that couples atmosphere with ocean, and has a model top near the mesopause, allowing us to examine the full response to the two solar forcing scenarios. We show different climate responses to the two solar forCing scenarios on decadal time scales and also trends on centennial time scales. Differences between solar maximum and solar minimum conditions are highlighted, including impacts of the time lagged reSponse of the lower atmosphere and ocean. This contrasts with studies that assume separate equilibrium conditions at solar maximum and minimum. We discuss model feedback mechanisms involved in the solar forced climate variations.

  4. 3D finite element modelling of force transmission and particle fracture of sand

    Energy Technology Data Exchange (ETDEWEB)

    Imseeh, Wadi H.; Alshibli, Khalid A. (Tennessee-K)

    2018-02-01

    Global compressive loading of granular media causes rearrangements of particles into a denser configuration. Under 1D compression, researchers observed that particles initially translate and rotate which lead to more contacts between particles and the development of force chains to resist applied loads. Particles within force chains resist most of the applied loads while neighbor particles provide lateral support to prevent particles within force chains from buckling. Several experimental and numerical models have been proposed in the literature to characterize force chains within granular materials. This paper presents a 3D finite element (FE) model that simulates 1D compression experiment on F-75 Ottawa sand. The FE mesh of particles closely matched 3D physical shape of sand particles that were acquired using 3D synchrotron micro-computed tomography (SMT) technique. The paper presents a quantitative assessment of the model, in which evolution of force chains, fracture modes, and stress-strain relationships showed an excellent agreement with experimental measurements reported by Cil et al. Alshibli (2017).

  5. How well do force fields capture the strength of salt bridges in proteins?

    Directory of Open Access Journals (Sweden)

    Mustapha Carab Ahmed

    2018-06-01

    Full Text Available Salt bridges form between pairs of ionisable residues in close proximity and are important interactions in proteins. While salt bridges are known to be important both for protein stability, recognition and regulation, we still do not have fully accurate predictive models to assess the energetic contributions of salt bridges. Molecular dynamics simulation is one technique that may be used study the complex relationship between structure, solvation and energetics of salt bridges, but the accuracy of such simulations depends on the force field used. We have used NMR data on the B1 domain of protein G (GB1 to benchmark molecular dynamics simulations. Using enhanced sampling simulations, we calculated the free energy of forming a salt bridge for three possible lysine-carboxylate ionic interactions in GB1. The NMR experiments showed that these interactions are either not formed, or only very weakly formed, in solution. In contrast, we show that the stability of the salt bridges is overestimated, to different extents, in simulations of GB1 using seven out of eight commonly used combinations of fixed charge force fields and water models. We also find that the Amber ff15ipq force field gives rise to weaker salt bridges in good agreement with the NMR experiments. We conclude that many force fields appear to overstabilize these ionic interactions, and that further work may be needed to refine our ability to model quantitatively the stability of salt bridges through simulations. We also suggest that comparisons between NMR experiments and simulations will play a crucial role in furthering our understanding of this important interaction.

  6. Principles and applications of force spectroscopy using atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Young Kyu; Kim, Woong; Park, Joon Won [Dept. of Chemistry, Pohang University of Science and Technology, Pohang (Korea, Republic of)

    2016-12-15

    Single-molecule force spectroscopy is a powerful technique for addressing single molecules. Unseen structures and dynamics of molecules have been elucidated using force spectroscopy. Atomic force microscope (AFM)-based force spectroscopy studies have provided picoNewton force resolution, subnanometer spatial resolution, stiffness of substrates, elasticity of polymers, and thermodynamics and kinetics of single-molecular interactions. In addition, AFM has enabled mapping the distribution of individual molecules in situ, and the quantification of single molecules has been made possible without modification or labeling. In this review, we describe the basic principles, sample preparation, data analysis, and applications of AFM-based force spectroscopy and its future.

  7. Evaluation of kriging based surrogate models constructed from mesoscale computations of shock interaction with particles

    Energy Technology Data Exchange (ETDEWEB)

    Sen, Oishik, E-mail: oishik-sen@uiowa.edu [Mechanical and Industrial Engineering, The University of Iowa, Iowa City, IA 52242 (United States); Gaul, Nicholas J., E-mail: nicholas-gaul@ramdosolutions.com [RAMDO Solutions, LLC, Iowa City, IA 52240 (United States); Choi, K.K., E-mail: kyung-choi@uiowa.edu [Mechanical and Industrial Engineering, The University of Iowa, Iowa City, IA 52242 (United States); Jacobs, Gustaaf, E-mail: gjacobs@sdsu.edu [Aerospace Engineering, San Diego State University, San Diego, CA 92115 (United States); Udaykumar, H.S., E-mail: hs-kumar@uiowa.edu [Mechanical and Industrial Engineering, The University of Iowa, Iowa City, IA 52242 (United States)

    2017-05-01

    Macro-scale computations of shocked particulate flows require closure laws that model the exchange of momentum/energy between the fluid and particle phases. Closure laws are constructed in this work in the form of surrogate models derived from highly resolved mesoscale computations of shock-particle interactions. The mesoscale computations are performed to calculate the drag force on a cluster of particles for different values of Mach Number and particle volume fraction. Two Kriging-based methods, viz. the Dynamic Kriging Method (DKG) and the Modified Bayesian Kriging Method (MBKG) are evaluated for their ability to construct surrogate models with sparse data; i.e. using the least number of mesoscale simulations. It is shown that if the input data is noise-free, the DKG method converges monotonically; convergence is less robust in the presence of noise. The MBKG method converges monotonically even with noisy input data and is therefore more suitable for surrogate model construction from numerical experiments. This work is the first step towards a full multiscale modeling of interaction of shocked particle laden flows.

  8. Modeling Enzymatic Transition States by Force Field Methods

    DEFF Research Database (Denmark)

    Hansen, Mikkel Bo; Jensen, Hans Jørgen Aagaard; Jensen, Frank

    2009-01-01

    The SEAM method, which models a transition structure as a minimum on the seam of two diabatic surfaces represented by force field functions, has been used to generate 20 transition structures for the decarboxylation of orotidine by the orotidine-5'-monophosphate decarboxylase enzyme. The dependence...... of the TS geometry on the flexibility of the system has been probed by fixing layers of atoms around the active site and using increasingly larger nonbonded cutoffs. The variability over the 20 structures is found to decrease as the system is made more flexible. Relative energies have been calculated...... by various electronic structure methods, where part of the enzyme is represented by a force field description and the effects of the solvent are represented by a continuum model. The relative energies vary by several hundreds of kJ/mol between the transition structures, and tests showed that a large part...

  9. Transverse beam cavity interaction. Pt. 1

    International Nuclear Information System (INIS)

    Weiland, T.

    1982-03-01

    The transverse interaction between a bunch of charged particles and cylindrically symmetric accelerating structures is studied in three steps. The particle motion is influenced by short range forces and long range forces. The short range forces are calculated by solving Maxwell's equations in the time domain including the presence of free moving charges passing an arbitrarily shaped structure off axis. The long range forces are dominated by resonant modes in cavities. These forces are computed in frequency domain by evaluating eigenmodes and eigenfrequencies. Since only high energy particles are considered, the particle motion, which is affected by both forces, can be studied seperately using simple models and computer simulations. (orig.)

  10. Model Engine Performance Measurement From Force Balance Instrumentation

    Science.gov (United States)

    Jeracki, Robert J.

    1998-01-01

    A large scale model representative of a low-noise, high bypass ratio turbofan engine was tested for acoustics and performance in the NASA Lewis 9- by 15-Foot Low-Speed Wind Tunnel. This test was part of NASA's continuing Advanced Subsonic Technology Noise Reduction Program. The low tip speed fan, nacelle, and an un-powered core passage (with core inlet guide vanes) were simulated. The fan blades and hub are mounted on a rotating thrust and torque balance. The nacelle, bypass duct stators, and core passage are attached to a six component force balance. The two balance forces, when corrected for internal pressure tares, measure the total thrust-minus-drag of the engine simulator. Corrected for scaling and other effects, it is basically the same force that the engine supports would feel, operating at similar conditions. A control volume is shown and discussed, identifying the various force components of the engine simulator thrust and definitions of net thrust. Several wind tunnel runs with nearly the same hardware installed are compared, to identify the repeatability of the measured thrust-minus-drag. Other wind tunnel runs, with hardware changes that affected fan performance, are compared to the baseline configuration, and the thrust and torque effects are shown. Finally, a thrust comparison between the force balance and nozzle gross thrust methods is shown, and both yield very similar results.

  11. Nonequilibrium thermodynamics of interacting tunneling transport: variational grand potential, density functional formulation and nature of steady-state forces

    International Nuclear Information System (INIS)

    Hyldgaard, P

    2012-01-01

    The standard formulation of tunneling transport rests on an open-boundary modeling. There, conserving approximations to nonequilibrium Green function or quantum statistical mechanics provide consistent but computational costly approaches; alternatively, the use of density-dependent ballistic-transport calculations (e.g., Lang 1995 Phys. Rev. B 52 5335), here denoted ‘DBT’, provides computationally efficient (approximate) atomistic characterizations of the electron behavior but has until now lacked a formal justification. This paper presents an exact, variational nonequilibrium thermodynamic theory for fully interacting tunneling and provides a rigorous foundation for frozen-nuclei DBT calculations as a lowest-order approximation to an exact nonequilibrium thermodynamic density functional evaluation. The theory starts from the complete electron nonequilibrium quantum statistical mechanics and I identify the operator for the nonequilibrium Gibbs free energy which, generally, must be treated as an implicit solution of the fully interacting many-body dynamics. I demonstrate a minimal property of a functional for the nonequilibrium thermodynamic grand potential which thus uniquely identifies the solution as the exact nonequilibrium density matrix. I also show that the uniqueness-of-density proof from a closely related Lippmann-Schwinger collision density functional theory (Hyldgaard 2008 Phys. Rev. B 78 165109) makes it possible to express the variational nonequilibrium thermodynamic description as a single-particle formulation based on universal electron-density functionals; the full nonequilibrium single-particle formulation improves the DBT method, for example, by a more refined account of Gibbs free energy effects. I illustrate a formal evaluation of the zero-temperature thermodynamic grand potential value which I find is closely related to the variation in the scattering phase shifts and hence to Friedel density oscillations. This paper also discusses the

  12. Heat, mass and force flows in supersonic shockwave interaction

    Science.gov (United States)

    Dixon, John Michael

    There is no cost effective way to deliver a payload to space and, with rising fuel prices, currently the price to travel commercially is also becoming more prohibitive to the public. During supersonic flight, compressive shock waves form around the craft which could be harnessed to deliver an additional lift on the craft. Using a series of hanging plates below a lifting wing design, the total lift generated can be increased above conventional values, while still maintaining a similar lift-to-drag ratio. Here, we study some of the flows involved in supersonic shockwave interaction. This analysis uses ANSYS Fluent Computational Fluid Dynamics package as the modeler. Our findings conclude an increase of up to 30% lift on the modeled craft while maintaining the lift-to-drag profile of the unmodified lifting wing. The increase in lift when utilizing the shockwave interaction could increase transport weight and reduce fuel cost for space and commercial flight, as well as mitigating negative effects associated with supersonic travel.

  13. Interactive differential equations modeling program

    International Nuclear Information System (INIS)

    Rust, B.W.; Mankin, J.B.

    1976-01-01

    Due to the recent emphasis on mathematical modeling, many ecologists are using mathematics and computers more than ever, and engineers, mathematicians and physical scientists are now included in ecological projects. However, the individual ecologist, with intuitive knowledge of the system, still requires the means to critically examine and adjust system models. An interactive program was developed with the primary goal of allowing an ecologist with minimal experience in either mathematics or computers to develop a system model. It has also been used successfully by systems ecologists, engineers, and mathematicians. This program was written in FORTRAN for the DEC PDP-10, a remote terminal system at Oak Ridge National Laboratory. However, with relatively minor modifications, it can be implemented on any remote terminal system with a FORTRAN IV compiler, or equivalent. This program may be used to simulate any phenomenon which can be described as a system of ordinary differential equations. The program allows the user to interactively change system parameters and/or initial conditions, to interactively select a set of variables to be plotted, and to model discontinuities in the state variables and/or their derivatives. One of the most useful features to the non-computer specialist is the ability to interactively address the system parameters by name and to interactively adjust their values between simulations. These and other features are described in greater detail

  14. Regime shifts under forcing of non-stationary attractors: Conceptual model and case studies in hydrologic systems.

    Science.gov (United States)

    Park, Jeryang; Rao, P Suresh C

    2014-11-15

    We present here a conceptual model and analysis of complex systems using hypothetical cases of regime shifts resulting from temporal non-stationarity in attractor strengths, and then present selected published cases to illustrate such regime shifts in hydrologic systems (shallow aquatic ecosystems; water table shifts; soil salinization). Complex systems are dynamic and can exist in two or more stable states (or regimes). Temporal variations in state variables occur in response to fluctuations in external forcing, which are modulated by interactions among internal processes. Combined effects of external forcing and non-stationary strengths of alternative attractors can lead to shifts from original to alternate regimes. In systems with bi-stable states, when the strengths of two competing attractors are constant in time, or are non-stationary but change in a linear fashion, regime shifts are found to be temporally stationary and only controlled by the characteristics of the external forcing. However, when attractor strengths change in time non-linearly or vary stochastically, regime shifts in complex systems are characterized by non-stationary probability density functions (pdfs). We briefly discuss implications and challenges to prediction and management of hydrologic complex systems. Copyright © 2014 Elsevier B.V. All rights reserved.

  15. Measured long-range repulsive Casimir-Lifshitz forces.

    Science.gov (United States)

    Munday, J N; Capasso, Federico; Parsegian, V Adrian

    2009-01-08

    Quantum fluctuations create intermolecular forces that pervade macroscopic bodies. At molecular separations of a few nanometres or less, these interactions are the familiar van der Waals forces. However, as recognized in the theories of Casimir, Polder and Lifshitz, at larger distances and between macroscopic condensed media they reveal retardation effects associated with the finite speed of light. Although these long-range forces exist within all matter, only attractive interactions have so far been measured between material bodies. Here we show experimentally that, in accord with theoretical prediction, the sign of the force can be changed from attractive to repulsive by suitable choice of interacting materials immersed in a fluid. The measured repulsive interaction is found to be weaker than the attractive. However, in both cases the magnitude of the force increases with decreasing surface separation. Repulsive Casimir-Lifshitz forces could allow quantum levitation of objects in a fluid and lead to a new class of switchable nanoscale devices with ultra-low static friction.

  16. S, P, D, F, G-waves KN phase shifts in a constituent quark model with a spin-orbit interaction

    International Nuclear Information System (INIS)

    Lemaire, S.; Labarsouque, J.; Silvestre-Brac, B.

    2002-01-01

    The I=1 and I=0 kaon-nucleon s, p, d, f, g-waves phase shifts have been calculated in a nonrelativistic quark potential model using the resonating group method (RGM). The interquark potential includes gluon exchanges with a spin-orbit interaction. This force has been determined to reproduce as well as possible the meson and baryon spectra. The same force is employed for the cluster and intercluster dynamics and the relative KN wave-function is calculated without any approximation. While some channels are correctly described, the theory is still unable to explain others

  17. An accurate tangential force-displacement model for granular-flow simulations: Contacting spheres with plastic deformation, force-driven formulation

    International Nuclear Information System (INIS)

    Vu-Quoc, L.; Lesburg, L.; Zhang, X.

    2004-01-01

    An elasto-plastic frictional tangential force-displacement (TFD) model for spheres in contact for accurate and efficient granular-flow simulations is presented in this paper; the present TFD is consistent with the elasto-plastic normal force-displacement (NFD) model presented in [ASME Journal of Applied Mechanics 67 (2) (2000) 363; Proceedings of the Royal Society of London, Series A 455 (1991) (1999) 4013]. The proposed elasto-plastic frictional TFD model is accurate, and is validated against non-linear finite-element analyses involving plastic flows under both loading and unloading conditions. The novelty of the present TFD model lies in (i) the additive decomposition of the elasto-plastic contact area radius into an elastic part and a plastic part, (ii) the correction of the particles' radii at the contact point, and (iii) the correction of the particles' elastic moduli. The correction of the contact-area radius represents an effect of plastic deformation in colliding particles; the correction of the radius of curvature represents a permanent indentation after impact; the correction of the elastic moduli represents a softening of the material due to plastic flow. The construction of both the present elasto-plastic frictional TFD model and its consistent companion, the elasto-plastic NFD model, parallels the formalism of the continuum theory of elasto-plasticity. Both NFD and TFD models form a coherent set of force-displacement (FD) models not available hitherto for granular-flow simulations, and are consistent with the Hertz, Cattaneo, Mindlin, Deresiewicz contact mechanics theory. Together, these FD models will allow for efficient simulations of granular flows (or granular gases) involving a large number of particles

  18. Internal phase transition induced by external forces in Finsler geometric model for membranes

    Science.gov (United States)

    Koibuchi, Hiroshi; Shobukhov, Andrey

    2016-10-01

    In this paper, we numerically study an anisotropic shape transformation of membranes under external forces for two-dimensional triangulated surfaces on the basis of Finsler geometry. The Finsler metric is defined by using a vector field, which is the tangential component of a three-dimensional unit vector σ corresponding to the tilt or some external macromolecules on the surface of disk topology. The sigma model Hamiltonian is assumed for the tangential component of σ with the interaction coefficient λ. For large (small) λ, the surface becomes oblong (collapsed) at relatively small bending rigidity. For the intermediate λ, the surface becomes planar. Conversely, fixing the surface with the boundary of area A or with the two-point boundaries of distance L, we find that the variable σ changes from random to aligned state with increasing of A or L for the intermediate region of λ. This implies that an internal phase transition for σ is triggered not only by the thermal fluctuations, but also by external mechanical forces. We also find that the frame (string) tension shows the expected scaling behavior with respect to A/N (L/N) at the intermediate region of A (L) where the σ configuration changes between the disordered and ordered phases. Moreover, we find that the string tension γ at sufficiently large λ is considerably smaller than that at small λ. This phenomenon resembles the so-called soft-elasticity in the liquid crystal elastomer, which is deformed by small external tensile forces.

  19. An analytical model for interactive failures

    International Nuclear Information System (INIS)

    Sun Yong; Ma Lin; Mathew, Joseph; Zhang Sheng

    2006-01-01

    In some systems, failures of certain components can interact with each other, and accelerate the failure rates of these components. These failures are defined as interactive failure. Interactive failure is a prevalent cause of failure associated with complex systems, particularly in mechanical systems. The failure risk of an asset will be underestimated if the interactive effect is ignored. When failure risk is assessed, interactive failures of an asset need to be considered. However, the literature is silent on previous research work in this field. This paper introduces the concepts of interactive failure, develops an analytical model to analyse this type of failure quantitatively, and verifies the model using case studies and experiments

  20. Casimir forces and geometry

    International Nuclear Information System (INIS)

    Buescher, R.

    2005-01-01

    Casimir interactions are interactions induced by quantum vacuum fluctuations and thermal fluctuations of the electromagnetic field. Using a path integral quantization for the gauge field, an effective Gaussian action will be derived which is the starting point to compute Casimir forces between macroscopic objects analytically and numerically. No assumptions about the independence of the material and shape dependent contributions to the interaction are made. We study the limit of flat surfaces in further detail and obtain a concise derivation of Lifshitz' theory of molecular forces. For the case of ideally conducting boundaries, the Gaussian action will be calculated explicitly. Both limiting cases are also discussed within the framework of a scalar field quantization approach, which is applicable for translationally invariant geometries. We develop a non-perturbative approach to calculate the Casimir interaction from the Gaussian action for periodically deformed and ideally conducting objects numerically. The obtained results reveal two different scaling regimes for the Casimir force as a function of the distance between the objects, their deformation wavelength and -amplitude. The results confirm that the interaction is non-additive, especially in the presence of strong geometric deformations. Furthermore, the numerical approach is extended to calculate lateral Casimir forces. The results are consistent with the results of the proximity-force approximation for large deformation wavelengths. A qualitatively different behaviour between the normal and lateral force is revealed. We also establish a relation between the boundary induced change of the of the density of states for the scalar Helmholtz equation and the Casimir interaction using the path integral method. For statically deformed boundaries, this relation can be expressed as a novel trace formula, which is formally similar to the so-called Krein-Friedel-Lloyd formula. While the latter formula describes the

  1. Coalescence and movement of nanobubbles studied with tapping mode AFM and tip-bubble interaction analysis

    International Nuclear Information System (INIS)

    Bhushan, Bharat; Wang Yuliang; Maali, Abdelhamid

    2008-01-01

    Imaging of a polystyrene (PS) coated silicon wafer immersed in deionized (DI) water was conducted using atomic force microscopy (AFM) in the tapping mode (TMAFM). As reported earlier, spherical cap-like domains, referred to as nanobubbles, were observed to be distributed on the PS surface. Experiments reveal that, in addition to the well-known parameter of scan load, scan speed is also an important parameter which affects nanobubble coalescence. The process of nanobubble coalescence was studied. It was found that during coalescence, small nanobubbles were easily moved and merged into bigger ones. Based on the interaction between the AFM cantilever tip and a bubble in the so-called force modulation mode of TMAFM, bubble height and adhesive force information for a given bubble was extracted. A viscoelastic model is used to obtain the interaction stiffness and damping coefficient, which provides a method to obtain the mechanical properties of nanobubbles. The model was further used to study the effect of surface tension force on attractive interaction force and contact angle hysteresis on the changes of the interaction damping coefficient during tip-bubble interaction.

  2. Porous models for wave-seabed interactions

    Energy Technology Data Exchange (ETDEWEB)

    Jeng, Dong-Sheng [Shanghai Jiaotong Univ., SH (China)

    2013-02-01

    Detailed discussion about the phenomenon of wave-seabed interactions. Novel models for wave-induced seabed response. Intensive theoretical derivations for wave-seabed interactions. Practical examples for engineering applications. ''Porous Models for Wave-seabed Interactions'' discusses the Phenomenon of wave-seabed interactions, which is a vital issue for coastal and geotechnical engineers involved in the design of foundations for marine structures such as pipelines, breakwaters, platforms, etc. The most important sections of this book will be the fully detailed theoretical models of wave-seabed interaction problem, which are particularly useful for postgraduate students and junior researchers entering the discipline of marine geotechnics and offshore engineering. This book also converts the research outcomes of theoretical studies to engineering applications that will provide front-line engineers with practical and effective tools in the assessment of seabed instability in engineering design.

  3. Optimizing Solute-Solute Interactions in the GLYCAM06 and CHARMM36 Carbohydrate Force Fields Using Osmotic Pressure Measurements.

    Science.gov (United States)

    Lay, Wesley K; Miller, Mark S; Elcock, Adrian H

    2016-04-12

    GLYCAM06 and CHARMM36 are successful force fields for modeling carbohydrates. To correct recently identified deficiencies with both force fields, we adjusted intersolute nonbonded parameters to reproduce the experimental osmotic coefficient of glucose at 1 M. The modified parameters improve behavior of glucose and sucrose up to 4 M and improve modeling of a dextran 55-mer. While the modified parameters may not be applicable to all carbohydrates, they highlight the use of osmotic simulations to optimize force fields.

  4. Modeling of Non-Gravitational Forces for Precise and Accurate Orbit Determination

    Science.gov (United States)

    Hackel, Stefan; Gisinger, Christoph; Steigenberger, Peter; Balss, Ulrich; Montenbruck, Oliver; Eineder, Michael

    2014-05-01

    Remote sensing satellites support a broad range of scientific and commercial applications. The two radar imaging satellites TerraSAR-X and TanDEM-X provide spaceborne Synthetic Aperture Radar (SAR) and interferometric SAR data with a very high accuracy. The precise reconstruction of the satellite's trajectory is based on the Global Positioning System (GPS) measurements from a geodetic-grade dual-frequency Integrated Geodetic and Occultation Receiver (IGOR) onboard the spacecraft. The increasing demand for precise radar products relies on validation methods, which require precise and accurate orbit products. An analysis of the orbit quality by means of internal and external validation methods on long and short timescales shows systematics, which reflect deficits in the employed force models. Following the proper analysis of this deficits, possible solution strategies are highlighted in the presentation. The employed Reduced Dynamic Orbit Determination (RDOD) approach utilizes models for gravitational and non-gravitational forces. A detailed satellite macro model is introduced to describe the geometry and the optical surface properties of the satellite. Two major non-gravitational forces are the direct and the indirect Solar Radiation Pressure (SRP). The satellite TerraSAR-X flies on a dusk-dawn orbit with an altitude of approximately 510 km above ground. Due to this constellation, the Sun almost constantly illuminates the satellite, which causes strong across-track accelerations on the plane rectangular to the solar rays. The indirect effect of the solar radiation is called Earth Radiation Pressure (ERP). This force depends on the sunlight, which is reflected by the illuminated Earth surface (visible spectra) and the emission of the Earth body in the infrared spectra. Both components of ERP require Earth models to describe the optical properties of the Earth surface. Therefore, the influence of different Earth models on the orbit quality is assessed. The scope of

  5. Modeling good research practices--overview: a report of the ISPOR-SMDM Modeling Good Research Practices Task Force--1.

    Science.gov (United States)

    Caro, J Jaime; Briggs, Andrew H; Siebert, Uwe; Kuntz, Karen M

    2012-01-01

    Models--mathematical frameworks that facilitate estimation of the consequences of health care decisions--have become essential tools for health technology assessment. Evolution of the methods since the first ISPOR Modeling Task Force reported in 2003 has led to a new Task Force, jointly convened with the Society for Medical Decision Making, and this series of seven articles presents the updated recommendations for best practices in conceptualizing models; implementing state-transition approaches, discrete event simulations, or dynamic transmission models; and dealing with uncertainty and validating and reporting models transparently. This overview article introduces the work of the Task Force, provides all the recommendations, and discusses some quandaries that require further elucidation. The audience for these articles includes those who build models, stakeholders who utilize their results, and, indeed, anyone concerned with the use of models to support decision making. Copyright © 2012 International Society for Pharmacoeconomics and Outcomes Research (ISPOR). Published by Elsevier Inc. All rights reserved.

  6. High spatial resolution Kelvin probe force microscopy with coaxial probes

    International Nuclear Information System (INIS)

    Brown, Keith A; Westervelt, Robert M; Satzinger, Kevin J

    2012-01-01

    Kelvin probe force microscopy (KPFM) is a widely used technique to measure the local contact potential difference (CPD) between an AFM probe and the sample surface via the electrostatic force. The spatial resolution of KPFM is intrinsically limited by the long range of the electrostatic interaction, which includes contributions from the macroscopic cantilever and the conical tip. Here, we present coaxial AFM probes in which the cantilever and cone are shielded by a conducting shell, confining the tip–sample electrostatic interaction to a small region near the end of the tip. We have developed a technique to measure the true CPD despite the presence of the shell electrode. We find that the behavior of these probes agrees with an electrostatic model of the force, and we observe a factor of five improvement in spatial resolution relative to unshielded probes. Our discussion centers on KPFM, but the field confinement offered by these probes may improve any variant of electrostatic force microscopy. (paper)

  7. The joy of interactive modeling

    Science.gov (United States)

    Donchyts, Gennadii; Baart, Fedor; van Dam, Arthur; Jagers, Bert

    2013-04-01

    The conventional way of working with hydrodynamical models usually consists of the following steps: 1) define a schematization (e.g., in a graphical user interface, or by editing input files) 2) run model from start to end 3) visualize results 4) repeat any of the previous steps. This cycle commonly takes up from hours to several days. What if we can make this happen instantly? As most of the research done using numerical models is in fact qualitative and exploratory (Oreskes et al., 1994), why not use these models as such? How can we adapt models so that we can edit model input, run and visualize results at the same time? More and more, interactive models become available as online apps, mainly for demonstration and educational purposes. These models often simplify the physics behind flows and run on simplified model geometries, particularly when compared with state-of-the-art scientific simulation packages. Here we show how the aforementioned conventional standalone models ("static, run once") can be transformed into interactive models. The basic concepts behind turning existing (conventional) model engines into interactive engines are the following. The engine does not run the model from start to end, but is always available in memory, and can be fed by new boundary conditions, or state changes at any time. The model can be run continuously, per step, or up to a specified time. The Hollywood principle dictates how the model engine is instructed from 'outside', instead of the model engine taking all necessary actions on its own initiative. The underlying techniques that facilitate these concepts are introspection of the computation engine, which exposes its state variables, and control functions, e.g. for time stepping, via a standardized interface, such as BMI (Peckam et. al., 2012). In this work we have used a shallow water flow model engine D-Flow Flexible Mesh. The model was converted from executable to a library, and coupled to the graphical modelling

  8. Comparative study of wall-force models for the simulation of bubbly flows

    Energy Technology Data Exchange (ETDEWEB)

    Rzehak, Roland, E-mail: r.rzehak@hzdr.de [Helmholtz-Zentrum Dresden-Rossendorf (HZDR), Institute of Fluid Dynamics, POB 510119, D-01314 Dresden (Germany); Krepper, Eckhard, E-mail: E.Krepper@hzdr.de [Helmholtz-Zentrum Dresden-Rossendorf (HZDR), Institute of Fluid Dynamics, POB 510119, D-01314 Dresden (Germany); Lifante, Conxita, E-mail: Conxita.Lifante@ansys.com [ANSYS Germany GmbH, Staudenfeldweg 12, 83624 Otterfing (Germany)

    2012-12-15

    Highlights: Black-Right-Pointing-Pointer Comparison of common models for the wall force with an experimental database. Black-Right-Pointing-Pointer Identification of suitable closure for bubbly flow. Black-Right-Pointing-Pointer Enables prediction of location and height of wall peak in void fraction profiles. - Abstract: Accurate numerical prediction of void-fraction profiles in bubbly multiphase-flow relies on suitable closure models for the momentum exchange between liquid and gas phases. We here consider forces acting on the bubbles in the vicinity of a wall. A number of different models for this so-called wall-force have been proposed in the literature and are implemented in widely used CFD-codes. Simulations using a selection of these models are compared with a set of experimental data on bubbly air-water flow in round pipes of different diameter. Based on the results, recommendations on suitable closures are given.

  9. Dual-joint modeling for estimation of total knee replacement contact forces during locomotion.

    Science.gov (United States)

    Hast, Michael W; Piazza, Stephen J

    2013-02-01

    Model-based estimation of in vivo contact forces arising between components of a total knee replacement is challenging because such forces depend upon accurate modeling of muscles, tendons, ligaments, contact, and multibody dynamics. Here we describe an approach to solving this problem with results that are tested by comparison to knee loads measured in vivo for a single subject and made available through the Grand Challenge Competition to Predict in vivo Tibiofemoral Loads. The approach makes use of a "dual-joint" paradigm in which the knee joint is alternately represented by (1) a ball-joint knee for inverse dynamic computation of required muscle controls and (2) a 12 degree-of-freedom (DOF) knee with elastic foundation contact at the tibiofemoral and patellofemoral articulations for forward dynamic integration. Measured external forces and kinematics were applied as a feedback controller and static optimization attempted to track measured knee flexion angles and electromyographic (EMG) activity. The resulting simulations showed excellent tracking of knee flexion (average RMS error of 2.53 deg) and EMG (muscle activations within ±10% envelopes of normalized measured EMG signals). Simulated tibiofemoral contact forces agreed qualitatively with measured contact forces, but their RMS errors were approximately 25% of the peak measured values. These results demonstrate the potential of a dual-joint modeling approach to predict joint contact forces from kinesiological data measured in the motion laboratory. It is anticipated that errors in the estimation of contact force will be reduced as more accurate subject-specific models of muscles and other soft tissues are developed.

  10. Empirical model of TEC response to geomagnetic and solar forcing over Balkan Peninsula

    Science.gov (United States)

    Mukhtarov, P.; Andonov, B.; Pancheva, D.

    2018-01-01

    An empirical total electron content (TEC) model response to external forcing over Balkan Peninsula (35°N-50°N; 15°E-30°E) is built by using the Center for Orbit Determination of Europe (CODE) TEC data for full 17 years, January 1999 - December 2015. The external forcing includes geomagnetic activity described by the Kp-index and solar activity described by the solar radio flux F10.7. The model describes the most probable spatial distribution and temporal variability of the externally forced TEC anomalies assuming that they depend mainly on latitude, Kp-index, F10.7 and LT. The anomalies are expressed by the relative deviation of the TEC from its 15-day mean, rTEC, as the mean value is calculated from the 15 preceding days. The approach for building this regional model is similar to that of the global TEC model reported by Mukhtarov et al. (2013a) however it includes two important improvements related to short-term variability of the solar activity and amended geomagnetic forcing by using a "modified" Kp index. The quality assessment of the new constructing model procedure in terms of modeling error calculated for the period of 1999-2015 indicates significant improvement in accordance with the global TEC model (Mukhtarov et al., 2013a). The short-term prediction capabilities of the model based on the error calculations for 2016 are improved as well. In order to demonstrate how the model is able to reproduce the rTEC response to external forcing three geomagnetic storms, accompanied also with short-term solar activity variations, which occur at different seasons and solar activity conditions are presented.

  11. Crossflow-induced vibrations of tube banks: hydrodynamic forces and mathematical models

    International Nuclear Information System (INIS)

    Chen, S.S.

    1977-01-01

    The objective of this paper is to present a method of analysis for the hydrodynamic forces acting on tube banks and a mathematical model for multiple tubes and multiple excitation mechanisms incorporating tube/fluid coupling. The hydrodynamic forces acting on tube banks are analyzed using the two dimensional potential flow theory

  12. Search for the standard model Higgs boson in $l\

    Energy Technology Data Exchange (ETDEWEB)

    Li, Dikai [Pierre and Marie Curie Univ., Paris (France)

    2013-01-01

    Humans have always attempted to understand the mystery of Nature, and more recently physicists have established theories to describe the observed phenomena. The most recent theory is a gauge quantum field theory framework, called Standard Model (SM), which proposes a model comprised of elementary matter particles and interaction particles which are fundamental force carriers in the most unified way. The Standard Model contains the internal symmetries of the unitary product group SU(3)c ⓍSU(2)L Ⓧ U(1)Y , describes the electromagnetic, weak and strong interactions; the model also describes how quarks interact with each other through all of these three interactions, how leptons interact with each other through electromagnetic and weak forces, and how force carriers mediate the fundamental interactions.

  13. A direct force model for Galilean invariant lattice Boltzmann simulation of fluid-particle flows

    Science.gov (United States)

    Tao, Shi; He, Qing; Chen, Baiman; Yang, Xiaoping; Huang, Simin

    The lattice Boltzmann method (LBM) has been widely used in the simulation of particulate flows involving complex moving boundaries. Due to the kinetic background of LBM, the bounce-back (BB) rule and the momentum exchange (ME) method can be easily applied to the solid boundary treatment and the evaluation of fluid-solid interaction force, respectively. However, recently it has been found that both the BB and ME schemes may violate the principle of Galilean invariance (GI). Some modified BB and ME methods have been proposed to reduce the GI error. But these remedies have been recognized subsequently to be inconsistent with Newton’s Third Law. Therefore, contrary to those corrections based on the BB and ME methods, a unified iterative approach is adopted to handle the solid boundary in the present study. Furthermore, a direct force (DF) scheme is proposed to evaluate the fluid-particle interaction force. The methods preserve the efficiency of the BB and ME schemes, and the performance on the accuracy and GI is verified and validated in the test cases of particulate flows with freely moving particles.

  14. A short model excitation of an asymmetric force free superconducting transmission line magnet

    Energy Technology Data Exchange (ETDEWEB)

    Wake, M.; Sato, H.; /KEK, Tsukuba; Carcagno, R.; Foster, W.; Hays, S.; Kashikhin, V.; Oleck, A.; Piekarz, H.; Rabehl, R,; /Fermilab

    2005-09-01

    A short model of asymmetric force free magnet with single beam aperture was tested at Fermilab together with the excitation test of VLHC transmission line magnet. The design concept of asymmetric force free superconducting magnet was verified by the test. The testing reached up to 104 kA current and no indication of force imbalance was observed. Since the model magnet length was only 10cm, A 0.75m model was constructed and tested at KEK with low current to ensure the validity of the design. The cool down and the excitation at KEK were also successful finding very small thermal contraction of the conductor and reasonable field homogeneity.

  15. Valence force fields and the lattice dynamics of beryllium oxide

    International Nuclear Information System (INIS)

    Ramani, R.; Mani, K.K.; Singh, R.P.

    1976-01-01

    The lattice dynamics of beryllium oxide have been studied using a rigid-ion model, with short-range forces represented by a valence force field. Various existing calculations on group-IV elements using such a field have been examined as a prelude to transference of force constants from diamond to beryllium oxide. The effects of ionicity on the force constants have been included in the form of scale factors. It is shown that no satisfactory fit to the long-wavelength data on BeO can be found with transferred force constants. However, adequate least-squares fits can be found both with four- and six-parameter valence force fields, the discrepancy with experiment being large only for one optical mode at the Brillouin-zone center. Dispersion curves along Δ and Σ are presented and are in fair agreement with experiment, deviations arising essentially from the quality of the fit to the long-wavelength data. The bond-bending interactions are found to play a significant role and arguments have been presented to show that the inclusion of further angle-angle interactions would yield a very satisfactory picture of the dynamics

  16. A review of a method for dynamic load distribution, dynamical modeling, and explicit internal force control when two manipulators mutually lift and transport a rigid body object

    International Nuclear Information System (INIS)

    Unseren, M.A.

    1997-01-01

    The paper reviews a method for modeling and controlling two serial link manipulators which mutually lift and transport a rigid body object in a three dimensional workspace. A new vector variable is introduced which parameterizes the internal contact force controlled degrees of freedom. A technique for dynamically distributing the payload between the manipulators is suggested which yields a family of solutions for the contact forces and torques the manipulators impart to the object. A set of rigid body kinematic constraints which restrict the values of the joint velocities of both manipulators is derived. A rigid body dynamical model for the closed chain system is first developed in the joint space. The model is obtained by generalizing the previous methods for deriving the model. The joint velocity and acceleration variables in the model are expressed in terms of independent pseudovariables. The pseudospace model is transformed to obtain reduced order equations of motion and a separate set of equations governing the internal components of the contact forces and torques. A theoretic control architecture is suggested which explicitly decouples the two sets of equations comprising the model. The controller enables the designer to develop independent, non-interacting control laws for the position control and internal force control of the system

  17. A review of a method for dynamic load distribution, dynamical modeling, and explicit internal force control when two manipulators mutually lift and transport a rigid body object

    Energy Technology Data Exchange (ETDEWEB)

    Unseren, M.A.

    1997-04-20

    The paper reviews a method for modeling and controlling two serial link manipulators which mutually lift and transport a rigid body object in a three dimensional workspace. A new vector variable is introduced which parameterizes the internal contact force controlled degrees of freedom. A technique for dynamically distributing the payload between the manipulators is suggested which yields a family of solutions for the contact forces and torques the manipulators impart to the object. A set of rigid body kinematic constraints which restrict the values of the joint velocities of both manipulators is derived. A rigid body dynamical model for the closed chain system is first developed in the joint space. The model is obtained by generalizing the previous methods for deriving the model. The joint velocity and acceleration variables in the model are expressed in terms of independent pseudovariables. The pseudospace model is transformed to obtain reduced order equations of motion and a separate set of equations governing the internal components of the contact forces and torques. A theoretic control architecture is suggested which explicitly decouples the two sets of equations comprising the model. The controller enables the designer to develop independent, non-interacting control laws for the position control and internal force control of the system.

  18. Unified composite model of all fundamental particles and forces

    International Nuclear Information System (INIS)

    Terazawa, H.

    2000-01-01

    The unified supersymmetric composite model of all fundamental particles (and forces) including not only the fundamental fermions (quarks and leptons) but also the fundamental bosons (gauge bosons and Higgs scalars) is reviewed in detail

  19. Stochastic hyperfine interactions modeling library

    Science.gov (United States)

    Zacate, Matthew O.; Evenson, William E.

    2011-04-01

    The stochastic hyperfine interactions modeling library (SHIML) provides a set of routines to assist in the development and application of stochastic models of hyperfine interactions. The library provides routines written in the C programming language that (1) read a text description of a model for fluctuating hyperfine fields, (2) set up the Blume matrix, upon which the evolution operator of the system depends, and (3) find the eigenvalues and eigenvectors of the Blume matrix so that theoretical spectra of experimental techniques that measure hyperfine interactions can be calculated. The optimized vector and matrix operations of the BLAS and LAPACK libraries are utilized; however, there was a need to develop supplementary code to find an orthonormal set of (left and right) eigenvectors of complex, non-Hermitian matrices. In addition, example code is provided to illustrate the use of SHIML to generate perturbed angular correlation spectra for the special case of polycrystalline samples when anisotropy terms of higher order than A can be neglected. Program summaryProgram title: SHIML Catalogue identifier: AEIF_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEIF_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU GPL 3 No. of lines in distributed program, including test data, etc.: 8224 No. of bytes in distributed program, including test data, etc.: 312 348 Distribution format: tar.gz Programming language: C Computer: Any Operating system: LINUX, OS X RAM: Varies Classification: 7.4 External routines: TAPP [1], BLAS [2], a C-interface to BLAS [3], and LAPACK [4] Nature of problem: In condensed matter systems, hyperfine methods such as nuclear magnetic resonance (NMR), Mössbauer effect (ME), muon spin rotation (μSR), and perturbed angular correlation spectroscopy (PAC) measure electronic and magnetic structure within Angstroms of nuclear probes through the hyperfine interaction. When

  20. Force interaction and 3D pole movement in double poling.

    Science.gov (United States)

    Stöggl, T; Holmberg, H-C

    2011-12-01

    The aim of this study was to analyze double poling using combined kinetic and 3D kinematic analysis at high skiing speeds as regards pole force components, pole angles and pole behavior during the poling and swing phase. The hypothesis was that a horizontal pole force is more predictive for maximal skiing speed (V(max)) than the resultant pole force. Sixteen elite skiers performed a double-poling V(max) test while treadmill roller skiing. Pole forces and 3D kinematics of pole movement at a speed of 30 km/h were analyzed and related to V(max). The duration of the "preparation phase" showed the strongest relationship with V(max) (r=0.87, Pmax) compared with the resultant pole force. Impact force was not related to V(max). At high skiing speeds, skiers should aim to combine high pole forces with appropriate timing of pole forces and appropriate pole and body positions during the swing and poling phase. The emphasis in training should be on the development of specific strength capacities for pole force production and the utilization of these capacities in double-poling training sessions. © 2011 John Wiley & Sons A/S.

  1. Molecular modeling studies of interactions between sodium polyacrylate polymer and calcite surface

    Energy Technology Data Exchange (ETDEWEB)

    Ylikantola, A. [University of Jyväskylä, Department of Chemistry, P.O. Box 35, University of Jyväskylä, FI-40014 (Finland); Linnanto, J., E-mail: juha.m.linnanto@gmail.com [University of Jyväskylä, Department of Chemistry, P.O. Box 35, University of Jyväskylä, FI-40014 (Finland); University of Tartu, Institute of Physics, Riia 142, EE-51014 Tartu (Estonia); Knuutinen, J.; Oravilahti, A. [University of Jyväskylä, Department of Chemistry, P.O. Box 35, University of Jyväskylä, FI-40014 (Finland); Toivakka, M. [Åbo Akademi University, Laboratory of Paper Coating and Converting and Center for Functional Materials, FI-20500 Turku/Åbo (Finland)

    2013-07-01

    The interactions between calcite pigment and sodium polyacrylate dispersing agent, widely used in papermaking as paper coating components, were investigated using classical force field and quantum chemical approaches. The objective was to understand interactions between the calcite surface and sodium polyacrylate polymer at 300 K using molecular dynamics simulations. A quantum mechanical ab initio Hartree–Fock method was also used to obtain detailed information about the sodium polyacrylate polymer structure. The effect of water molecules (moisture) on the interactions was also examined. Calculations showed that molecular weight, branching and the orientation of sodium polyacrylate polymers influence the interactions between the calcite surface and the polymer. The force field applied, and also water molecules, were found to have an impact on all systems studied. Ab initio Hartree–Fock calculations indicated that there are two types of coordination between sodium atoms and carboxylate groups of the sodium polyacrylate polymer, inter- and intra-carboxylate group coordination. In addition, ab initio Hartree–Fock calculations of the structure of the sodium polyacrylate polymer produced important information regarding interactions between the polymers and carboxylated styrene-butadiene latex particles.

  2. Mathematical modelling of fire in forced ventilated enclosures

    International Nuclear Information System (INIS)

    Cox, G.; Kumar, S.

    1985-01-01

    The application of a computer fire simulation model to the prediction of conditions in a forced ventilated experimental fire test cell at the Lawrence Livermore National Laboratory is discussed. Comparisons between theoretical and experimental determinations are shown to be in reasonable agreement and areas requiring further research indicated

  3. Extraction of user's navigation commands from upper body force interaction in walker assisted gait.

    Science.gov (United States)

    Frizera Neto, Anselmo; Gallego, Juan A; Rocon, Eduardo; Pons, José L; Ceres, Ramón

    2010-08-05

    The advances in technology make possible the incorporation of sensors and actuators in rollators, building safer robots and extending the use of walkers to a more diverse population. This paper presents a new method for the extraction of navigation related components from upper-body force interaction data in walker assisted gait. A filtering architecture is designed to cancel: (i) the high-frequency noise caused by vibrations on the walker's structure due to irregularities on the terrain or walker's wheels and (ii) the cadence related force components caused by user's trunk oscillations during gait. As a result, a third component related to user's navigation commands is distinguished. For the cancelation of high-frequency noise, a Benedict-Bordner g-h filter was designed presenting very low values for Kinematic Tracking Error ((2.035 +/- 0.358).10(-2) kgf) and delay ((1.897 +/- 0.3697).10(1)ms). A Fourier Linear Combiner filtering architecture was implemented for the adaptive attenuation of about 80% of the cadence related components' energy from force data. This was done without compromising the information contained in the frequencies close to such notch filters. The presented methodology offers an effective cancelation of the undesired components from force data, allowing the system to extract in real-time voluntary user's navigation commands. Based on this real-time identification of voluntary user's commands, a classical approach to the control architecture of the robotic walker is being developed, in order to obtain stable and safe user assisted locomotion.

  4. GIS-Based Evaluation of Spatial Interactions by Geographic Disproportionality of Industrial Diversity

    Directory of Open Access Journals (Sweden)

    Jemyung Lee

    2017-11-01

    Full Text Available Diversity of regional industry is regarded as a key factor for regional development, as it has a positive relationship with economic stability, which attracts population. This paper focuses on how the spatial imbalance of industrial diversity contributes to the population change caused by inter-regional migration. This paper introduces a spatial interaction model for the Geographic Information System (GIS-based simulation of the spatial interactions to evaluate the demographic attraction force. The proposed model adopts the notions of gravity, entropy, and virtual work. An industrial classification by profit level is introduced and its diversity is quantified with the entropy of information theory. The introduced model is applied to the cases of 207 regions in South Korea. Spatial interactions are simulated with an optimized model and their resultant forces, the demographic attraction forces, are compared with observed net migration for verification. The results show that the evaluated attraction forces from industrial diversity have a very significant, positive, and moderate relationship with net migration, while other conventional factors of industry, population, economy, and the job market do not. This paper concludes that the geographical quality of industrial diversity has positive and significant effects on population change by migration.

  5. Computational Intelligence Based Data Fusion Algorithm for Dynamic sEMG and Skeletal Muscle Force Modelling

    Energy Technology Data Exchange (ETDEWEB)

    Chandrasekhar Potluri,; Madhavi Anugolu; Marco P. Schoen; D. Subbaram Naidu

    2013-08-01

    In this work, an array of three surface Electrography (sEMG) sensors are used to acquired muscle extension and contraction signals for 18 healthy test subjects. The skeletal muscle force is estimated using the acquired sEMG signals and a Non-linear Wiener Hammerstein model, relating the two signals in a dynamic fashion. The model is obtained from using System Identification (SI) algorithm. The obtained force models for each sensor are fused using a proposed fuzzy logic concept with the intent to improve the force estimation accuracy and resilience to sensor failure or misalignment. For the fuzzy logic inference system, the sEMG entropy, the relative error, and the correlation of the force signals are considered for defining the membership functions. The proposed fusion algorithm yields an average of 92.49% correlation between the actual force and the overall estimated force output. In addition, the proposed fusionbased approach is implemented on a test platform. Experiments indicate an improvement in finger/hand force estimation.

  6. Modeling the Static Force of a Festo Pneumatic Muscle Actuator: A New Approach and a Comparison to Existing Models

    Directory of Open Access Journals (Sweden)

    Mirco Martens

    2017-11-01

    Full Text Available In this paper, a new approach for modeling the static force characteristic of Festo pneumatic muscle actuators (PMAs will be presented. The model is physically motivated and therefore gives a deeper understanding of the Festo PMA. After introducing the new model, it will be validated through a comparison to a measured force map of a Festo DMSP-10-250 and a DMSP-20-300, respectively. It will be shown that the error between the new model and the measured data is below 4.4% for the DMSP-10-250 and below 2.35% for the DMSP-20-300. In addition, the quality of the presented model will be compared to the quality of existing models by comparing the maximum error. It can be seen that the newly introduced model is closer to the measured force characteristic of a Festo PMA than any existing model.

  7. Drug-model membrane interactions

    International Nuclear Information System (INIS)

    Deniz, Usha K.

    1994-01-01

    In the present day world, drugs play a very important role in medicine and it is necessary to understand their mode of action at the molecular level, in order to optimise their use. Studies of drug-biomembrane interactions are essential for gaining such as understanding. However, it would be prohibitively difficult to carry out such studies, since biomembranes are highly complex systems. Hence, model membranes (made up of these lipids which are important components of biomembranes) of varying degrees of complexity are used to investigate drug-membrane interactions. Bio- as well as model-membranes undergo a chain melting transition when heated, the chains being in a disordered state above the transition point, T CM . This transition is of physiological importance since biomembranes select their components such that T CM is less than the ambient temperature but not very much so, so that membrane flexibility is ensured and porosity, avoided. The influence of drugs on the transition gives valuable clues about various parameters such as the location of the drug in the membrane. Deep insights into drug-membrane interactions are obtained by observing the effect of drugs on membrane structure and the mobilities of the various groups in lipids, near T CM . Investigation of such changes have been carried out with several drugs, using techniques such as DSC, XRD and NMR. The results indicate that the drug-membrane interaction not only depends on the nature of drug and lipids but also on the form of the model membrane - stacked bilayer or vesicles. The light that these results shed on the nature of drug-membrane interactions is discussed. (author). 13 refs., 13 figs., 1 tab

  8. Human-Structure Dynamic Interaction during Short-Distance Free Falls

    Directory of Open Access Journals (Sweden)

    E. Shahabpoor

    2016-01-01

    Full Text Available The dynamic interactions of falling human bodies with civil structures, regardless of their potentially critical effects, have sparsely been researched in contact biomechanics. The physical contact models suggested in the existing literature, particularly for short-distant falls in home settings, assume the human body falls on a “rigid” (not vibrating ground. A similar assumption is usually made during laboratory-based fall tests, including force platforms. Based on observations from a set of pediatric head-first free fall tests, the present paper shows that the dynamics of the grounded force plate are not always negligible when doing fall test in a laboratory setting. By using a similar analogy for lightweight floor structures, it is shown that ignoring the dynamics of floors in the contact model can result in an up to 35% overestimation of the peak force experienced by a falling human. A nonlinear contact model is suggested, featuring an agent-based modelling approach, where the dynamics of the falling human and the impact object (force plate or a floor structure here are each modelled using a single-degree-of-freedom model to simulate their dynamic interactions. The findings of this research can have wide applications in areas such as impact biomechanics and sports science.

  9. Quantitative study of FORC diagrams in thermally corrected Stoner– Wohlfarth nanoparticles systems

    International Nuclear Information System (INIS)

    De Biasi, E.; Curiale, J.; Zysler, R.D.

    2016-01-01

    The use of FORC diagrams is becoming increasingly popular among researchers devoted to magnetism and magnetic materials. However, a thorough interpretation of this kind of diagrams, in order to achieve quantitative information, requires an appropriate model of the studied system. For that reason most of the FORC studies are used for a qualitative analysis. In magnetic systems thermal fluctuations 'blur' the signatures of the anisotropy, volume and particle interactions distributions, therefore thermal effects in nanoparticles systems conspire against a proper interpretation and analysis of these diagrams. Motivated by this fact, we have quantitatively studied the degree of accuracy of the information extracted from FORC diagrams for the special case of single-domain thermal corrected Stoner– Wohlfarth (easy axes along the external field orientation) nanoparticles systems. In this work, the starting point is an analytical model that describes the behavior of a magnetic nanoparticles system as a function of field, anisotropy, temperature and measurement time. In order to study the quantitative degree of accuracy of our model, we built FORC diagrams for different archetypical cases of magnetic nanoparticles. Our results show that from the quantitative information obtained from the diagrams, under the hypotheses of the proposed model, is possible to recover the features of the original system with accuracy above 95%. This accuracy is improved at low temperatures and also it is possible to access to the anisotropy distribution directly from the FORC coercive field profile. Indeed, our simulations predict that the volume distribution plays a secondary role being the mean value and its deviation the only important parameters. Therefore it is possible to obtain an accurate result for the inversion and interaction fields despite the features of the volume distribution. - Highlights: • Quantify the degree of accuracy of the information obtained using the FORC diagrams.

  10. Nuclear forces and quark degrees of freedom

    International Nuclear Information System (INIS)

    Lacombe, M.; Loiseau, B.; Vinh Mau, R.; Demetriou, P.; Pantis, C.

    1999-01-01

    Attempts to derive the NN forces from the quark and gluon degrees of freedom have been made so far in the framework of the nonrelativistic quark-cluster model (QCM). The justification of such a model is based on the remarkable success in describing the static properties of single hadrons. In the earlier calculations, the NN s-wave phase shifts obtained with the QCM show that the model produces repulsive NN forces at short distances, which constitutes a success for the model, but fails to provide the intermediate range attraction indispensable for binding nucleons in nuclei. This drawback is amended within the context of these models, at the expense of introducing by hand intermediate-range attraction through meson-exchange potentials between quarks or/and between nucleons (quark clusters). This procedure improves the results for the phase shifts and it is often concluded that the QCM provides a good description of the short-range (SR) part of the NN potential. In our opinion, the above procedure does not provide a rigorous test of the validity of the quark-cluster model. In order to get a clear-cut conclusion one should consider the QCM in association with an accurate and well founded model for the long-medium-range (LR+MR) forces. For these reason we study a NN interaction model which satisfies this requirement. In this model, the LR+MR parts are given by the Paris NN potential and the SR part by the QCM. The quality of the model is then tested by confronting directly its predictions with data on observables rather then, as it is usually done, with phase shifts. We compute all the observables for pp and np scattering at energies below the pion production threshold for different QCM versions corresponding to different qq interactions. The results are then compared with the existing world set data. Preliminary results show that the agreement with experiment is not good. (authors)

  11. Force Limited Random Vibration Test of TESS Camera Mass Model

    Science.gov (United States)

    Karlicek, Alexandra; Hwang, James Ho-Jin; Rey, Justin J.

    2015-01-01

    The Transiting Exoplanet Survey Satellite (TESS) is a spaceborne instrument consisting of four wide field-of-view-CCD cameras dedicated to the discovery of exoplanets around the brightest stars. As part of the environmental testing campaign, force limiting was used to simulate a realistic random vibration launch environment. While the force limit vibration test method is a standard approach used at multiple institutions including Jet Propulsion Laboratory (JPL), NASA Goddard Space Flight Center (GSFC), European Space Research and Technology Center (ESTEC), and Japan Aerospace Exploration Agency (JAXA), it is still difficult to find an actual implementation process in the literature. This paper describes the step-by-step process on how the force limit method was developed and applied on the TESS camera mass model. The process description includes the design of special fixtures to mount the test article for properly installing force transducers, development of the force spectral density using the semi-empirical method, estimation of the fuzzy factor (C2) based on the mass ratio between the supporting structure and the test article, subsequent validating of the C2 factor during the vibration test, and calculation of the C.G. accelerations using the Root Mean Square (RMS) reaction force in the spectral domain and the peak reaction force in the time domain.

  12. Influence of the tip mass on the tip-sample interactions in TM-AFM

    Energy Technology Data Exchange (ETDEWEB)

    Pishkenari, Hossein Nejat, E-mail: nejat@mech.sharif.edu [Nano-Robotics Laboratory, Center of Excellence in Design, Robotics and Automation, School of Mechanical Engineering, Sharif University of Technology, Tehran, P.O. Box 11365-9465 (Iran, Islamic Republic of); Meghdari, Ali [Nano-Robotics Laboratory, Center of Excellence in Design, Robotics and Automation, School of Mechanical Engineering, Sharif University of Technology, Tehran, P.O. Box 11365-9465 (Iran, Islamic Republic of)

    2011-07-15

    This paper focuses on the influences of the tip mass ratio (the ratio of the tip mass to the cantilever mass), on the excitation of higher oscillation eigenmodes and also on the tip-sample interaction forces in tapping mode atomic force microscopy (TM-AFM). A precise model for the cantilever dynamics capable of accurate simulations is essential for the investigation of the tip mass effects on the interaction forces. In the present work, the finite element method (FEM) is used for modeling the AFM cantilever to consider the oscillations of higher eigenmodes oscillations. In addition, molecular dynamics (MD) is used to calculate precise data for the tip-sample force as a function of tip vertical position with respect to the sample. The results demonstrate that in the presence of nonlinear tip-sample interaction forces, the tip mass ratio plays a significant role in the excitations of higher eigenmodes and also in the normal force applied on the surface. Furthermore, it has been shown that the difference between responses of the FEM and point-mass models in different system operational conditions is highly affected by the tip mass ratio. -- Highlights: {yields} A strong correlation exists between the tip mass ratio and the 18th harmonic amplitude. {yields} Near the critical tip mass ratio a small change in the tip mass may lead to a significant force change. {yields} Inaccuracy of the lumped model depends significantly on the tip mass ratio.

  13. Simulating Storm Surge Impacts with a Coupled Atmosphere-Inundation Model with Varying Meteorological Forcing

    Directory of Open Access Journals (Sweden)

    Alexandra N. Ramos Valle

    2018-04-01

    Full Text Available Storm surge events have the potential to cause devastating damage to coastal communities. The magnitude of their impacts highlights the need for increased accuracy and real-time forecasting and predictability of storm surge. In this study, we assess two meteorological forcing configurations to hindcast the storm surge of Hurricane Sandy, and ultimately support the improvement of storm surge forecasts. The Weather Research and Forecasting (WRF model is coupled to the ADvanced CIRCulation Model (ADCIRC to determine water elevations. We perform four coupled simulations and compare storm surge estimates resulting from the use of a parametric vortex model and a full-physics atmospheric model. One simulation is forced with track-based meteorological data calculated from WRF, while three simulations are forced with the full wind and pressure field outputs from WRF simulations of varying resolutions. Experiments were compared to an ADCIRC simulation forced by National Hurricane Center best track data, as well as to station observations. Our results indicated that given accurate meteorological best track data, a parametric vortex model can accurately forecast maximum water elevations, improving upon the use of a full-physics coupled atmospheric-surge model. In the absence of a best track, atmospheric forcing in the form of full wind and pressure field from a high-resolution atmospheric model simulation prove reliable for storm surge forecasting.

  14. An Atomic Force Microscopy Study of the Interactions Involving Polymers and Silane Networks

    Directory of Open Access Journals (Sweden)

    Rodrigo L. Oréfice

    1998-12-01

    Full Text Available ABSTRACT: Silane coupling agents have been frequently used as interfacial agents in polymer composites to improve interfacial strength and resistance to fluid migration. Although the capability of these agents in improving properties and performance of composites has been reported, there are still many uncertainties regarding the processing-structure-property relationships and the mechanisms of coupling developed by silane agents. In this work, an Atomic Force Microscope (AFM was used to measure interactions between polymers and silica substrates, where silane networks with a series of different structures were processed. The influence of the structure of silane networks on the interactions with polymers was studied and used to determine the mechanisms involved in the coupling phenomenon. The AFM results showed that phenomena such as chain penetration, entanglements, intersegment bonding, chain conformation in the vicinities of rigid surfaces were identified as being relevant for the overall processes of adhesion and adsorption of polymeric chains within a silane network. AFM adhesion curves showed that penetration of polymeric chains through a more open silane network can lead to higher levels of interactions between polymer and silane agents.

  15. Measured long-range repulsive Casimir–Lifshitz forces

    Science.gov (United States)

    Munday, J. N.; Capasso, Federico; Parsegian, V. Adrian

    2014-01-01

    Quantum fluctuations create intermolecular forces that pervade macroscopic bodies1–3. At molecular separations of a few nanometres or less, these interactions are the familiar van der Waals forces4. However, as recognized in the theories of Casimir, Polder and Lifshitz5–7, at larger distances and between macroscopic condensed media they reveal retardation effects associated with the finite speed of light. Although these long-range forces exist within all matter, only attractive interactions have so far been measured between material bodies8–11. Here we show experimentally that, in accord with theoretical prediction12, the sign of the force can be changed from attractive to repulsive by suitable choice of interacting materials immersed in a fluid. The measured repulsive interaction is found to be weaker than the attractive. However, in both cases the magnitude of the force increases with decreasing surface separation. Repulsive Casimir–Lifshitz forces could allow quantum levitation of objects in a fluid and lead to a new class of switchable nanoscale devices with ultra-low static friction13–15. PMID:19129843

  16. A force-based protein biochip

    Science.gov (United States)

    Blank, K.; Mai, T.; Gilbert, I.; Schiffmann, S.; Rankl, J.; Zivin, R.; Tackney, C.; Nicolaus, T.; Spinnler, K.; Oesterhelt, F.; Benoit, M.; Clausen-Schaumann, H.; Gaub, H. E.

    2003-09-01

    A parallel assay for the quantification of single-molecule binding forces was developed based on differential unbinding force measurements where ligand-receptor interactions are compared with the unzipping forces of DNA hybrids. Using the DNA zippers as molecular force sensors, the efficient discrimination between specific and nonspecific interactions was demonstrated for small molecules binding to specific receptors, as well as for protein-protein interactions on protein arrays. Finally, an antibody sandwich assay with different capture antibodies on one chip surface and with the detection antibodies linked to a congruent surface via the DNA zippers was used to capture and quantify a recombinant hepatitis C antigen from solution. In this case, the DNA zippers enable not only discrimination between specific and nonspecific binding, but also allow for the local application of detection antibodies, thereby eliminating false-positive results caused by cross-reactive antibodies and nonspecific binding.

  17. Interactive collision detection for deformable models using streaming AABBs.

    Science.gov (United States)

    Zhang, Xinyu; Kim, Young J

    2007-01-01

    We present an interactive and accurate collision detection algorithm for deformable, polygonal objects based on the streaming computational model. Our algorithm can detect all possible pairwise primitive-level intersections between two severely deforming models at highly interactive rates. In our streaming computational model, we consider a set of axis aligned bounding boxes (AABBs) that bound each of the given deformable objects as an input stream and perform massively-parallel pairwise, overlapping tests onto the incoming streams. As a result, we are able to prevent performance stalls in the streaming pipeline that can be caused by expensive indexing mechanism required by bounding volume hierarchy-based streaming algorithms. At runtime, as the underlying models deform over time, we employ a novel, streaming algorithm to update the geometric changes in the AABB streams. Moreover, in order to get only the computed result (i.e., collision results between AABBs) without reading back the entire output streams, we propose a streaming en/decoding strategy that can be performed in a hierarchical fashion. After determining overlapped AABBs, we perform a primitive-level (e.g., triangle) intersection checking on a serial computational model such as CPUs. We implemented the entire pipeline of our algorithm using off-the-shelf graphics processors (GPUs), such as nVIDIA GeForce 7800 GTX, for streaming computations, and Intel Dual Core 3.4G processors for serial computations. We benchmarked our algorithm with different models of varying complexities, ranging from 15K up to 50K triangles, under various deformation motions, and the timings were obtained as 30 approximately 100 FPS depending on the complexity of models and their relative configurations. Finally, we made comparisons with a well-known GPU-based collision detection algorithm, CULLIDE [4] and observed about three times performance improvement over the earlier approach. We also made comparisons with a SW-based AABB

  18. Analytical study on model tests of soil-structure interaction

    International Nuclear Information System (INIS)

    Odajima, M.; Suzuki, S.; Akino, K.

    1987-01-01

    Since nuclear power plant (NPP) structures are stiff, heavy and partly-embedded, the behavior of those structures during an earthquake depends on the vibrational characteristics of not only the structure but also the soil. Accordingly, seismic response analyses considering the effects of soil-structure interaction (SSI) are extremely important for seismic design of NPP structures. Many studies have been conducted on analytical techniques concerning SSI and various analytical models and approaches have been proposed. Based on the studies, SSI analytical codes (computer programs) for NPP structures have been improved at JINS (Japan Institute of Nuclear Safety), one of the departments of NUPEC (Nuclear Power Engineering Test Center) in Japan. These codes are soil-spring lumped-mass code (SANLUM), finite element code (SANSSI), thin layered element code (SANSOL). In proceeding with the improvement of the analytical codes, in-situ large-scale forced vibration SSI tests were performed using models simulating light water reactor buildings, and simulation analyses were performed to verify the codes. This paper presents an analytical study to demonstrate the usefulness of the codes

  19. Contributions to muscle force and EMG by combined neural excitation and electrical stimulation

    Science.gov (United States)

    Crago, Patrick E.; Makowski, Nathaniel S.; Cole, Natalie M.

    2014-10-01

    Objective. Stimulation of muscle for research or clinical interventions is often superimposed on ongoing physiological activity without a quantitative understanding of the impact of the stimulation on the net muscle activity and the physiological response. Experimental studies show that total force during stimulation is less than the sum of the isolated voluntary and stimulated forces, but the occlusion mechanism is not understood. Approach. We develop a model of efferent motor activity elicited by superimposing stimulation during a physiologically activated contraction. The model combines action potential interactions due to collision block, source resetting, and refractory periods with previously published models of physiological motor unit recruitment, rate modulation, force production, and EMG generation in human first dorsal interosseous muscle to investigate the mechanisms and effectiveness of stimulation on the net muscle force and EMG. Main results. Stimulation during a physiological contraction demonstrates partial occlusion of force and the neural component of the EMG, due to action potential interactions in motor units activated by both sources. Depending on neural and stimulation firing rates as well as on force-frequency properties, individual motor unit forces can be greater, smaller, or unchanged by the stimulation. In contrast, voluntary motor unit EMG potentials in simultaneously stimulated motor units show progressive occlusion with increasing stimulus rate. The simulations predict that occlusion would be decreased by a reverse stimulation recruitment order. Significance. The results are consistent with and provide a mechanistic interpretation of previously published experimental evidence of force occlusion. The models also predict two effects that have not been reported previously—voluntary EMG occlusion and the advantages of a proximal stimulation site. This study provides a basis for the rational design of both future experiments and clinical

  20. Modeling Force Transfer around Openings in Wood-Frame Shear Walls

    Science.gov (United States)

    Minghao Li; Frank Lam; Borjen Yeh; Tom Skaggs; Doug Rammer; James Wacker

    2012-01-01

    This paper presented a modeling study on force transfer around openings (FTAO) in wood-frame shear walls detailed for FTAO. To understand the load transfer in the walls, this study used a finite-element model WALL2D, which is able to model individual wall components, including framing members, sheathing panels, oriented panel-frame nailed connections, framing...