A tungsten-rhenium interatomic potential for point defect studies

Science.gov (United States)

Setyawan, Wahyu; Gao, Ning; Kurtz, Richard J.

2018-05-01

A tungsten-rhenium (W-Re) classical interatomic potential is developed within the embedded atom method interaction framework. A force-matching method is employed to fit the potential to ab initio forces, energies, and stresses. Simulated annealing is combined with the conjugate gradient technique to search for an optimum potential from over 1000 initial trial sets. The potential is designed for studying point defects in W-Re systems. It gives good predictions of the formation energies of Re defects in W and the binding energies of W self-interstitial clusters with Re. The potential is further evaluated for describing the formation energy of structures in the σ and χ intermetallic phases. The predicted convex-hulls of formation energy are in excellent agreement with ab initio data. In pure Re, the potential can reproduce the formation energies of vacancies and self-interstitial defects sufficiently accurately and gives the correct ground state self-interstitial configuration. Furthermore, by including liquid structures in the fit, the potential yields a Re melting temperature (3130 K) that is close to the experimental value (3459 K).

Interatomic inelastic current

DEFF Research Database (Denmark)

Hansen, Tim; Solomon, Gemma C.; Hansen, Thorsten

2017-01-01

In order to identify the location of an inelastic event and to distinguish between situations that are before or after this event, we derive equations for the interatomic inelastic transmission as a perturbation series in the electron-phonon interaction. This series contains both even and odd...... to second order and the 1st order correction represents the lowest order term of this new family of terms. We apply this to three model systems and are able to distinguish between situations before and after the inelastic event as steps in the 2nd order transmission. We also see that when the transmission...

Interatomic spacing distribution in multicomponent alloys

International Nuclear Information System (INIS)

Toda-Caraballo, I.; Wróbel, J.S.; Dudarev, S.L.; Nguyen-Manh, D.; Rivera-Díaz-del-Castillo, P.E.J.

2015-01-01

A methodology to compute the distribution of interatomic distances in highly concentrated multicomponent alloys is proposed. By using the unit cell parameter and bulk modulus of the elements involved, the method accurately describes the distortion in the lattice produced by the interaction of the different atomic species. To prove this, density functional theory calculations have been used to provide the description of the lattice in a monophasic BCC MoNbTaVW high entropy alloy and its five sub-quaternary systems at different temperatures. Short-range order is also well described by the new methodology, where the mean error in the predicted atomic coordinates in comparison with the atomistic simulations is in the order of 1–2 pm over all the compositions and temperatures considered. The new method can be applied to tailor solid solution hardening, highly dependent on the distribution of interatomic distances, and guide the design of new high entropy alloys with enhanced properties

Interatomic Coulombic electron capture

International Nuclear Information System (INIS)

Gokhberg, K.; Cederbaum, L. S.

2010-01-01

In a previous publication [K. Gokhberg and L. S. Cederbaum, J. Phys. B 42, 231001 (2009)] we presented the interatomic Coulombic electron capture process--an efficient electron capture mechanism by atoms and ions in the presence of an environment. In the present work we derive and discuss the mechanism in detail. We demonstrate thereby that this mechanism belongs to a family of interatomic electron capture processes driven by electron correlation. In these processes the excess energy released in the capture event is transferred to the environment and used to ionize (or to excite) it. This family includes the processes where the capture is into the lowest or into an excited unoccupied orbital of an atom or ion and proceeds in step with the ionization (or excitation) of the environment, as well as the process where an intermediate autoionizing excited resonance state is formed in the capturing center which subsequently deexcites to a stable state transferring its excess energy to the environment. Detailed derivation of the asymptotic cross sections of these processes is presented. The derived expressions make clear that the environment assisted capture processes can be important for many systems. Illustrative examples are presented for a number of model systems for which the data needed to construct the various capture cross sections are available in the literature.

[Non-empirical interatomic potentials for transition metals

International Nuclear Information System (INIS)

1993-01-01

The report is divided into the following sections: potential-energy functions for d-band metals, potential-energy functions for aluminides and quasicrystals, electronic structure of complex structures and quasicrystals, potential-energy functions in transition-metal oxides, applications to defect structure and mechanical properties, and basic theory of interatomic potentials

Handbook of interatomic potentials

International Nuclear Information System (INIS)

Stoneham, A.M.; Taylor, R.

1981-08-01

This Handbook collects together interatomic potentials for a large number of metals. Most of the potentials describe the interactions of host metal atoms with each other, and these, in some cases, may be applied to solid and liquid metals. In addition, there are potentials (a) for a metallic impurity alloyed with the host, (b) for a small number of chemical impurities in the metal (eg H, O), and (c) for rare-gas impurities, notably He. The Handbook is intended to be a convenient source of potentials for bulk, surface and defect calculations, both static and dynamic. (author)

Attractive short-range interatomic potential in the lattice dynamics of niobium and tantalum

International Nuclear Information System (INIS)

Onwuagba, B.N.; Pal, S.

1987-01-01

It is shown in the framework of the pseudopotential approach that there is a sizable attractive short-range component of the interatomic potential due to the s-d interaction which has the same functional form in real space as the Born-Mayer repulsion due to the overlap of core electron wave functions centred on neighbouring ions. The magnitude of this attractive component is such as to completely cancel the conventional Born-Mayer repulsion, making the resultant short-range interatomic potential attractive rather than repulsive. Numerical calculations show that the attractive interatomics potential, which represents the local-field correction, leads to a better understanding of the occurrence of the soft modes in the phonon dispersion curves of niobium and tantalum

A general transformation to canonical form for potentials in pairwise interatomic interactions.

Science.gov (United States)

Walton, Jay R; Rivera-Rivera, Luis A; Lucchese, Robert R; Bevan, John W

2015-06-14

A generalized formulation of explicit force-based transformations is introduced to investigate the concept of a canonical potential in both fundamental chemical and intermolecular bonding. Different classes of representative ground electronic state pairwise interatomic interactions are referenced to a chosen canonical potential illustrating application of such transformations. Specifically, accurately determined potentials of the diatomic molecules H2, H2(+), HF, LiH, argon dimer, and one-dimensional dissociative coordinates in Ar-HBr, OC-HF, and OC-Cl2 are investigated throughout their bound potentials. Advantages of the current formulation for accurately evaluating equilibrium dissociation energies and a fundamentally different unified perspective on nature of intermolecular interactions will be emphasized. In particular, this canonical approach has significance to previous assertions that there is no very fundamental distinction between van der Waals bonding and covalent bonding or for that matter hydrogen and halogen bonds.

The screening length of interatomic potential in atomic collisions

International Nuclear Information System (INIS)

Yamamura, Y.; Takeuchi, W.; Kawamura, T.

1998-03-01

In computer studies on the interaction of charged particle with solids, many authors treat the nuclear collision by the Thomas-Fermi screened Coulomb potential. For better agreement with experiment, the screening length is modified sometimes. We investigate the theoretical background for the correction factor of the screening length in the interatomic potential which can be deduced from two steps. The first step is to select the correction factor of an isolated atom so as to match the average radius of the Thomas-Fermi electron distribution with that of the Hartree-Fock electron distribution, where we use the Clementi and Roetti's table. The second step is to determine the correction factor of the screening length of the interatomic potential by using a combination rule. The correction factors obtained for the screening length are in good agreement with those determined by the computer analysis of the Impact Collision Ion Scattering Spectroscopy (ICISS) data. (author)

Interatomic potentials for materials of nuclear interest

International Nuclear Information System (INIS)

Fernandez, Julian R.; Monti, Ana M.; Pasianot, Roberto C.; Simonelli, G.

2007-01-01

Procedures to develop embedded atom method (EAM) interatomic potentials are described, with foreseeable applications in nuclear materials. Their reliability is shown by evaluating relevant properties. The studied materials are Nb, Zr and U. The first two were then used to develop an inter species potential for the Zr-Nb binary system. In this sense, the Fe-Cu system was also studied starting from Fe and Cu potentials extracted from the literature. (author) [es

Development of an inter-atomic potential for the Pd-H binary system.

Energy Technology Data Exchange (ETDEWEB)

Zimmerman, Jonathan A.; Hoyt, Jeffrey John (McMaster University, Hamilton, Ontario, Canada); Leonard, Francois Leonard; Griffin, Joshua D.; Zhou, Xiao Wang

2007-09-01

Ongoing research at Sandia National Laboratories has been in the area of developing models and simulation methods that can be used to uncover and illuminate the material defects created during He bubble growth in aging bulk metal tritides. Previous efforts have used molecular dynamics calculations to examine the physical mechanisms by which growing He bubbles in a Pd metal lattice create material defects. However, these efforts focused only on the growth of He bubbles in pure Pd and not on bubble growth in the material of interest, palladium tritide (PdT), or its non-radioactive isotope palladium hydride (PdH). The reason for this is that existing inter-atomic potentials do not adequately describe the thermodynamics of the Pd-H system, which includes a miscibility gap that leads to phase separation of the dilute (alpha) and concentrated (beta) alloys of H in Pd at room temperature. This document will report the results of research to either find or develop inter-atomic potentials for the Pd-H and Pd-T systems, including our efforts to use experimental data and density functional theory calculations to create an inter-atomic potential for this unique metal alloy system.

A comparison of interatomic potentials for modeling tungsten nanocluster structures

Energy Technology Data Exchange (ETDEWEB)

Hao, Jiannan; Shu, Xiaolin, E-mail: shuxlin@buaa.edu.cn; Jin, Shuo; Zhang, Xuesong; Zhang, Ying; Lu, Guang-Hong

2017-02-15

Molecular dynamic simulation is utilized to study the nanocluster and the fuzz structure on the PFM surface of tungsten. The polyhedral and linear cluster structures based on the icosahedron, cuboctahedron and rhombic dodecahedron are built up. Three interatomic potentials are used in calculating the relationship between the cluster energy and the number of atoms. The results are compared with first-principles calculation to show each potential’s best application scale. Furthermore, the transition between the icosahedral and the cuboctahedral clusters is observed in molecular dynamic simulation at different temperatures, which follows a critical curve for different numbers of atoms. The linear structures are proved to be stable at experimental temperatures by thermodynamics. The work presents a selection of interatomic potentials in simulating tungsten cluster systems and helps researchers understand the growth and evolution laws of clusters and the fuzz-like structure formation process in fusion devices.

A comparison of interatomic potentials for modeling tungsten nanocluster structures

International Nuclear Information System (INIS)

Hao, Jiannan; Shu, Xiaolin; Jin, Shuo; Zhang, Xuesong; Zhang, Ying; Lu, Guang-Hong

2017-01-01

Molecular dynamic simulation is utilized to study the nanocluster and the fuzz structure on the PFM surface of tungsten. The polyhedral and linear cluster structures based on the icosahedron, cuboctahedron and rhombic dodecahedron are built up. Three interatomic potentials are used in calculating the relationship between the cluster energy and the number of atoms. The results are compared with first-principles calculation to show each potential’s best application scale. Furthermore, the transition between the icosahedral and the cuboctahedral clusters is observed in molecular dynamic simulation at different temperatures, which follows a critical curve for different numbers of atoms. The linear structures are proved to be stable at experimental temperatures by thermodynamics. The work presents a selection of interatomic potentials in simulating tungsten cluster systems and helps researchers understand the growth and evolution laws of clusters and the fuzz-like structure formation process in fusion devices.

A gradient approximation for calculating Debye temperatures from pairwise interatomic potentials

International Nuclear Information System (INIS)

Jackson, D.P.

1975-09-01

A simple gradient approximation is given for calculating the effective Debye temperature of a cubic crystal from central pairwise interatomic potentials. For examples of the Morse potential applied to cubic metals the results are in generally good agreement with experiment. (author)

Accurate Ne-heavier rare gas interatomic potentials

International Nuclear Information System (INIS)

Candori, R.; Pirani, F.; Vecchiocattivi, F.

1983-01-01

Accurate interatomic potential curves for Ne-heavier rare gas systems are obtained by a multiproperty analysis. The curves are given via a parametric function which consists of a modified Dunham expansion connected at long range with the van der Waals expansion. The experimental properties considered in the analysis are the differential scattering cross sections at two different collision energies, the integral cross sections in the glory energy range and the second virial coefficients. The transport properties are considered indirectly by using the potential energy values recently obtained by inversion of the transport coefficients. (author)

Sputtering of octatetraene by 15 keV C{sub 60} projectiles: Comparison of reactive interatomic potentials

Energy Technology Data Exchange (ETDEWEB)

Kanski, Michal; Maciazek, Dawid; Golunski, Mikolaj; Postawa, Zbigniew, E-mail: zbigniew.postawa@uj.edu.pl

2017-02-15

Highlights: • Probing the effect of interatomic potentials on sputtering of an octatetraene sample. • Problems with charge calculations are observed during cluster impact for ReaxFF. • COMB3 leads to a very low sputtering yield due to abrupt energy dissipation. • AIREBO is computationally the most efficient, while ReaxFF is more accurate. - Abstract: Molecular dynamics computer simulations have been used to probe the effect of the AIREBO, ReaxFF and COMB3 interatomic potentials on sputtering of an organic sample composed of octatetraene molecules. The system is bombarded by a 15 keV C{sub 60} projectile at normal incidence. The effect of the applied force fields on the total time of simulation, the calculated sputtering yield and the angular distribution of sputtered particles is investigated and discussed. It has been found that caution should be taken when simulating particles ejection from nonhomogeneous systems that undergo significant fragmentation described by the ReaxFF. In this case, the charge state of many particles is improper due to an inadequacy of a procedure used for calculating partial charges on atoms in molecules for conditions present during sputtering. A two-step simulation procedure is proposed to minimize the effect of this deficiency. There is also a possible problem with the COMB3 potential, at least at conditions present during cluster impact, as its results are very different from AIREBO or ReaxFF.

Is there a contraction of the interatomic distance in small metal particles?

DEFF Research Database (Denmark)

Hansen, Lars Bruno; Stoltze, Per; Nørskov, Jens Kehlet

1990-01-01

A theoretical analysis is made of the bond lengths of small (100–1000 atoms) Cu particles at various temperatures. The interatomic interactions are calculated using the effective-medium theory and the finite-temperature properties obtained from a molecular-dynamics simulation. We find only very s...... small changes in bond length with particle size, but the motion in the small particles is very anharmonic. We use this observation to resolve the current experimental controversy about the existence of bond contraction for small metal particles.......A theoretical analysis is made of the bond lengths of small (100–1000 atoms) Cu particles at various temperatures. The interatomic interactions are calculated using the effective-medium theory and the finite-temperature properties obtained from a molecular-dynamics simulation. We find only very...

Evidence of sequential interatomic decay in argon trimers obtained by electron-triple-ion coincidence spectroscopy

International Nuclear Information System (INIS)

Liu, X-J; Saito, N; Fukuzawa, H; Morishita, Y; Stoychev, S; Kuleff, A; Suzuki, I H; Tamenori, Y; Richter, R; Pruemper, G; Ueda, K

2007-01-01

Sequential interatomic decay, where the first step is an Auger decay with interatomic character and the second step is a pure interatomic Coulombic decay (ICD), is identified in Ar trimers Ar 3 . The 2p hole state in Ar 3 decays via the L 2,3 M 1 M 2,3 Auger to the one-site two-hole states Ar ++ (3s -1 3p -1 )-Ar-Ar that couples to the two-site satellite states Ar + (3p -2 nl)-Ar + (3p -1 )-Ar. These states are subject to ICD to the states Ar + (3p -1 )-Ar + (3p -1 )-Ar + (3p -1 ), in which the nl electron fills the 3p hole in the same Ar site and one of the 3p electrons in the third Ar site is emitted as a slow ICD electron. This ICD process is identified unambiguously by electron-ion-ion-ion coincidence spectroscopy in which the kinetic energy of the slow ICD electron and the kinetic energy release among the three Ar + ions are measured in coincidence. (fast track communication)

The role of tungsten in the change of interatomic bond in Nb-W alloy

International Nuclear Information System (INIS)

Arkharov, V.I.; Samojlenko, Z.A.; Darovskikh, E.G.

1982-01-01

To study the chemical inhomogeneity and the peculiarities in electronic structure of solid solutions in fracture region, the X-ray spectral studies of niobium-tungsten alloys with 0.5; 1.0; 12.0; 13.6; 23.g mass % W have been carried out. The W concentration changes on the fracture and the difference in the electron energy distribution in the 4d-band in comparison between the fracture and mocrosection are determined. The niobium doping with tungsten is shown to be accompanied by the increase in the fraction of locally bound electrons as compared to the collectivized one. Alloys with 12-13% W are the most homogeneous in composition and electrons energy state. This state is characterized by features the increased number of electrons with noncompensated spins in intercrystalline boundaries as compared to a crystallite thickness. These alloys have homogeneous properties in sample microvolumes and large interatomic binding force

Multipole expansion of the retarded interatomic dispersion energy: derivation from quantum electrodynamics

NARCIS (Netherlands)

Michels, M.A.J.; Suttorp, L.G.

1972-01-01

The multipole expansion of the retarded dispersion energy of two atoms in nondegenerate ground states is derived. The result shows that multipoles of different order may give rise to dispersion energies varying in the same way for large interatomic separations.

Development of an interatomic EAM type potential for Zr

International Nuclear Information System (INIS)

Pasianot, R.C.; Monti, A.M.

1996-01-01

In the present work are developed interatomic potentials of the embedded atom type (EAM) adequate for computer simulation of microstructural defects in the Zr lattice. It is observed that the less repulsive potential agrees better with the experimental data of the self-interstitial relaxation volume and predicts the basal crowdion as the stable configuration, the basal dumbbell having a formation energy slightly higher (0.01 eV). (author). 9 refs., 1 fig., 3 tabs

Interatomic decay of inner-valence ionized states in ArXe clusters: Relativistic approach

International Nuclear Information System (INIS)

Fasshauer, Elke; Pernpointner, Markus; Gokhberg, Kirill

2013-01-01

In this work we investigate interatomic electronic decay processes taking place in mixed argon-xenon clusters upon the inner-valence ionization of an argon center. We demonstrate that both interatomic Coulombic decay and electron-transfer mediated decay (ETMD) are important in larger rare gas clusters as opposed to dimers. Calculated secondary electron spectra are shown to depend strongly on the spin-orbit coupling in the final states of the decay as well as the presence of polarizable environment. It follows from our calculations that ETMD is a pure interface process taking place between the argon-xenon layers. The interplay of all these effects is investigated in order to arrive at a suitable physical model for the decay of inner-valence vacancies taking place in mixed ArXe clusters.

Nonconservative current-induced forces: A physical interpretation

Directory of Open Access Journals (Sweden)

Tchavdar N. Todorov

2011-10-01

Full Text Available We give a physical interpretation of the recently demonstrated nonconservative nature of interatomic forces in current-carrying nanostructures. We start from the analytical expression for the curl of these forces, and evaluate it for a point defect in a current-carrying system. We obtain a general definition of the capacity of electrical current flow to exert a nonconservative force, and thus do net work around closed paths, by a formal noninvasive test procedure. Second, we show that the gain in atomic kinetic energy over time, generated by nonconservative current-induced forces, is equivalent to the uncompensated stimulated emission of directional phonons. This connection with electron–phonon interactions quantifies explicitly the intuitive notion that nonconservative forces work by angular momentum transfer.

The effect of interatomic potential in molecular dynamics simulation of low energy ion implantation

International Nuclear Information System (INIS)

Chan, H.Y.; Nordlund, K.; Peltola, J.; Gossmann, H.-J.L.; Ma, N.L.; Srinivasan, M.P.; Benistant, F.; Chan, Lap

2005-01-01

Being able to accurately predict dopant profiles at sub-keV implant energies is critical for the microelectronic industry. Molecular Dynamics (MD), with its capability to account for multiple interactions as energy lowers, is an increasingly popular simulation method. We report our work on sub-keV implantation using MD and investigate the effect of different interatomic potentials on the range profiles. As an approximation, only pair potentials are considered in this work. Density Functional Theory (DFT) is used to calculate the pair potentials for a wide range of dopants (B, C, N, F, Si, P, Ga, Ge, As, In and Sb) in single crystalline silicon. A commonly used repulsive potential is also included in the study. Importance of the repulsive and attractive regions of the potential has been investigated with different elements and we show that a potential depicting the right attractive forces is especially important for heavy elements at low energies

Influence of the interatomic potentials on molecular dynamics simulations of displacement cascades

CERN Document Server

Becquart, C S; Legris, A; Van Duysen, J C

2000-01-01

Molecular dynamics (MD) is a powerful tool to study the displacement cascades initiated by the neutrons when they interact with matter. Key components of this technique are the interatomic potentials which model the binding of the different constitutive atoms. There exist many interatomic potentials dedicated to alpha-Fe and we have tested three of them for the study of radiation damage. We have found that the primary damage is potential sensitive. From our study, it appears that some characteristics of the potentials, not always considered, can be correlated to the type of damage produced by displacement cascades. The repulsive part of the potential has a strong influence on the cascade morphology. Moreover, equilibrium properties such as the atoms mean square displacements, the vacancy migration and vacancy-vacancy binding energies also appear to have some influence and should be investigated carefully when simulating radiation damage. It is therefore very important to use extreme care when trying to obtain...

FAST TRACK COMMUNICATION: A Be-W interatomic potential

Science.gov (United States)

Björkas, C.; Henriksson, K. O. E.; Probst, M.; Nordlund, K.

2010-09-01

In this work, an interatomic potential for the beryllium-tungsten system is derived. It is the final piece of a potential puzzle, now containing all possible interactions between the fusion reactor materials beryllium, tungsten and carbon as well as the plasma hydrogen isotopes. The potential is suitable for plasma-wall interaction simulations and can describe the intermetallic Be2W and Be12W phases. The interaction energy between a Be surface and a W atom, and vice versa, agrees qualitatively with ab initio calculations. The potential can also reasonably describe BexWy molecules with x, y = 1, 2, 3, 4.

Interatomic methods for the dispersion energy derived from the adiabatic connection fluctuation-dissipation theorem

Science.gov (United States)

Tkatchenko, Alexandre; Ambrosetti, Alberto; DiStasio, Robert A.

2013-02-01

Interatomic pairwise methods are currently among the most popular and accurate ways to include dispersion energy in density functional theory calculations. However, when applied to more than two atoms, these methods are still frequently perceived to be based on ad hoc assumptions, rather than a rigorous derivation from quantum mechanics. Starting from the adiabatic connection fluctuation-dissipation (ACFD) theorem, an exact expression for the electronic exchange-correlation energy, we demonstrate that the pairwise interatomic dispersion energy for an arbitrary collection of isotropic polarizable dipoles emerges from the second-order expansion of the ACFD formula upon invoking the random-phase approximation (RPA) or the full-potential approximation. Moreover, for a system of quantum harmonic oscillators coupled through a dipole-dipole potential, we prove the equivalence between the full interaction energy obtained from the Hamiltonian diagonalization and the ACFD-RPA correlation energy. This property makes the Hamiltonian diagonalization an efficient method for the calculation of the many-body dispersion energy. In addition, we show that the switching function used to damp the dispersion interaction at short distances arises from a short-range screened Coulomb potential, whose role is to account for the spatial spread of the individual atomic dipole moments. By using the ACFD formula, we gain a deeper understanding of the approximations made in the interatomic pairwise approaches, providing a powerful formalism for further development of accurate and efficient methods for the calculation of the dispersion energy.

Xenon Defects in Uranium Dioxide From First Principles and Interatomic Potentials

Science.gov (United States)

Thompson, Alexander

In this thesis, we examine the defect energetics and migration energies of xenon atoms in uranium dioxide (UO2) from first principles and interatomic potentials. We also parameterize new, accurate interatomic potentials for xenon and uranium dioxide. To achieve accurate energetics and provide a foundation for subsequent calculations, we address difficulties in finding consistent energetics within Hubbard U corrected density functional theory (DFT+U). We propose a method of slowly ramping the U parameter in order to guide the calculation into low energy orbital occupations. We find that this method is successful for a variety of materials. We then examine the defect energetics of several noble gas atoms in UO2 for several different defect sites. We show that the energy to incorporate large noble gas atoms into interstitial sites is so large that it is energetically favorable for a Schottky defect cluster to be created to relieve the strain. We find that, thermodynamically, xenon will rarely ever be in the interstitial site of UO2. To study larger defects associated with the migration of xenon in UO 2, we turn to interatomic potentials. We benchmark several previously published potentials against DFT+U defect energetics and migration barriers. Using a combination of molecular dynamics and nudged elastic band calculations, we find a new, low energy migration pathway for xenon in UO2. We create a new potential for xenon that yields accurate defect energetics. We fit this new potential with a method we call Iterative Potential Refinement that parameterizes potentials to first principles data via a genetic algorithm. The potential finds accurate energetics for defects with relatively low amounts of strain (xenon in defect clusters). It is important to find accurate energetics for these sorts of low-strain defects because they essentially represent small xenon bubbles. Finally, we parameterize a new UO2 potential that simultaneously yields accurate vibrational properties

Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials

International Nuclear Information System (INIS)

Thompson, A.P.; Swiler, L.P.; Trott, C.R.; Foiles, S.M.; Tucker, G.J.

2015-01-01

We present a new interatomic potential for solids and liquids called Spectral Neighbor Analysis Potential (SNAP). The SNAP potential has a very general form and uses machine-learning techniques to reproduce the energies, forces, and stress tensors of a large set of small configurations of atoms, which are obtained using high-accuracy quantum electronic structure (QM) calculations. The local environment of each atom is characterized by a set of bispectrum components of the local neighbor density projected onto a basis of hyperspherical harmonics in four dimensions. The bispectrum components are the same bond-orientational order parameters employed by the GAP potential [1]. The SNAP potential, unlike GAP, assumes a linear relationship between atom energy and bispectrum components. The linear SNAP coefficients are determined using weighted least-squares linear regression against the full QM training set. This allows the SNAP potential to be fit in a robust, automated manner to large QM data sets using many bispectrum components. The calculation of the bispectrum components and the SNAP potential are implemented in the LAMMPS parallel molecular dynamics code. We demonstrate that a previously unnoticed symmetry property can be exploited to reduce the computational cost of the force calculations by more than one order of magnitude. We present results for a SNAP potential for tantalum, showing that it accurately reproduces a range of commonly calculated properties of both the crystalline solid and the liquid phases. In addition, unlike simpler existing potentials, SNAP correctly predicts the energy barrier for screw dislocation migration in BCC tantalum

Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials

Energy Technology Data Exchange (ETDEWEB)

Thompson, Aidan P. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States). Multiscale Science Dept.; Swiler, Laura P. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States). Optimization and Uncertainty Quantification Dept.; Trott, Christian R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Scalable Algorithms Dept.; Foiles, Stephen M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Computational Materials and Data Science Dept.; Tucker, Garritt J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Computational Materials and Data Science Dept.; Drexel Univ., Philadelphia, PA (United States). Dept. of Materials Science and Engineering

2015-03-15

Here, we present a new interatomic potential for solids and liquids called Spectral Neighbor Analysis Potential (SNAP). The SNAP potential has a very general form and uses machine-learning techniques to reproduce the energies, forces, and stress tensors of a large set of small configurations of atoms, which are obtained using high-accuracy quantum electronic structure (QM) calculations. The local environment of each atom is characterized by a set of bispectrum components of the local neighbor density projected onto a basis of hyperspherical harmonics in four dimensions. The bispectrum components are the same bond-orientational order parameters employed by the GAP potential [1]. The SNAP potential, unlike GAP, assumes a linear relationship between atom energy and bispectrum components. The linear SNAP coefficients are determined using weighted least-squares linear regression against the full QM training set. This allows the SNAP potential to be fit in a robust, automated manner to large QM data sets using many bispectrum components. The calculation of the bispectrum components and the SNAP potential are implemented in the LAMMPS parallel molecular dynamics code. We demonstrate that a previously unnoticed symmetry property can be exploited to reduce the computational cost of the force calculations by more than one order of magnitude. We present results for a SNAP potential for tantalum, showing that it accurately reproduces a range of commonly calculated properties of both the crystalline solid and the liquid phases. In addition, unlike simpler existing potentials, SNAP correctly predicts the energy barrier for screw dislocation migration in BCC tantalum.

Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials

Energy Technology Data Exchange (ETDEWEB)

Thompson, A.P., E-mail: athomps@sandia.gov [Multiscale Science Department, Sandia National Laboratories, PO Box 5800, MS 1322, Albuquerque, NM 87185 (United States); Swiler, L.P., E-mail: lpswile@sandia.gov [Optimization and Uncertainty Quantification Department, Sandia National Laboratories, PO Box 5800, MS 1318, Albuquerque, NM 87185 (United States); Trott, C.R., E-mail: crtrott@sandia.gov [Scalable Algorithms Department, Sandia National Laboratories, PO Box 5800, MS 1322, Albuquerque, NM 87185 (United States); Foiles, S.M., E-mail: foiles@sandia.gov [Computational Materials and Data Science Department, Sandia National Laboratories, PO Box 5800, MS 1411, Albuquerque, NM 87185 (United States); Tucker, G.J., E-mail: gtucker@coe.drexel.edu [Computational Materials and Data Science Department, Sandia National Laboratories, PO Box 5800, MS 1411, Albuquerque, NM 87185 (United States); Department of Materials Science and Engineering, Drexel University, Philadelphia, PA 19104 (United States)

2015-03-15

We present a new interatomic potential for solids and liquids called Spectral Neighbor Analysis Potential (SNAP). The SNAP potential has a very general form and uses machine-learning techniques to reproduce the energies, forces, and stress tensors of a large set of small configurations of atoms, which are obtained using high-accuracy quantum electronic structure (QM) calculations. The local environment of each atom is characterized by a set of bispectrum components of the local neighbor density projected onto a basis of hyperspherical harmonics in four dimensions. The bispectrum components are the same bond-orientational order parameters employed by the GAP potential [1]. The SNAP potential, unlike GAP, assumes a linear relationship between atom energy and bispectrum components. The linear SNAP coefficients are determined using weighted least-squares linear regression against the full QM training set. This allows the SNAP potential to be fit in a robust, automated manner to large QM data sets using many bispectrum components. The calculation of the bispectrum components and the SNAP potential are implemented in the LAMMPS parallel molecular dynamics code. We demonstrate that a previously unnoticed symmetry property can be exploited to reduce the computational cost of the force calculations by more than one order of magnitude. We present results for a SNAP potential for tantalum, showing that it accurately reproduces a range of commonly calculated properties of both the crystalline solid and the liquid phases. In addition, unlike simpler existing potentials, SNAP correctly predicts the energy barrier for screw dislocation migration in BCC tantalum.

Interatomic potential to predict the favored and optimized compositions for ternary Cu-Zr-Hf metallic glasses

International Nuclear Information System (INIS)

Luo, S. Y.; Cui, Y. Y.; Dai, Y.; Li, J. H.; Liu, B. X.

2012-01-01

Under the framework of smoothed and long range second-moment approximation of tight-binding, a realistic interatomic potential was first constructed for the Cu-Zr-Hf ternary metal system. Applying the constructed potential, Monte Carlo simulations were carried out to compare the relative stability of crystalline solid solution versus its disordered counterpart over the entire composition triangle of the system (as a function of alloy composition). Simulations not only reveal that the origin of metallic glass formation but also determine, in the composition triangle, a quadrilateral region, within which metallic glass formation is energetically favored. It is proposed to define the energy differences between the crystalline solid solutions and disordered states as the driving force for amorphization and the corresponding calculations pinpoint an optimized composition locating at an composition of Cu 55 Zr 10 Hf 35 , around which the driving force for metallic glass formation reaches its maximum, suggesting that the ternary Cu-Zr-Hf metallic glasses designed to have the compositions around Cu 55 Zr 10 Hf 35 could be more stable than other alloys in the system. Moreover, for the Cu 55 Zr 10 Hf 35 metallic glass, the Voronoi tessellation calculations reveal some interesting features of its atomic configurations and coordination polyhedra distribution.

Development of an empirical interatomic potential for the Ag–Ti system

Energy Technology Data Exchange (ETDEWEB)

Zhou, Ying, E-mail: y.zhou3@lboro.ac.uk [Department of Mathematical Sciences, Loughborough University, Leicestershire LE11 3TU (United Kingdom); Smith, Roger [Department of Mathematical Sciences, Loughborough University, Leicestershire LE11 3TU (United Kingdom); Kenny, Steven D. [Department of Materials, Loughborough University, Leicestershire LE11 3TU (United Kingdom); Lloyd, Adam L. [Department of Mathematical Sciences, Loughborough University, Leicestershire LE11 3TU (United Kingdom)

2017-02-15

Highlights: • A new modified embedded-atom method interatomic potential for Ag and Ti was developed. • Binding energies for various configurations were calculated using SIESTA and were used as the fitting target. • Two mixing rules for the embedded-atom method based on the same elemental potentials were also investigated. • The results showed that the MEAM with the optimised parameters gives the best agreement to the DFT results. - Abstract: Two interatomic potential mixing rules for the Ti–Ag system were investigated based on the embedded-atom method (EAM) elemental potentials. First principles calculations were performed using SIESTA for various configurations of the Ti–Ag system to see which model best fitted the ab initio results. The results showed that the surface energies, especially that of Ti, were not well fitted by either model and the surface binding energies differed from the ab initio calculations. As a result, the modified embedded-atom method (MEAM) was investigated. In contrast to the other models, surface energies for pure Ti calculated by MEAM were in good agreement with the experimental data and the ab initio results. The MEAM mixing rule was used to investigate Ag ad-atoms on Ti and Ti ad-atoms on Ag. The results showed good agreement with SIESTA after parameter optimisation.

Resonance oscillations of nonreciprocal long-range van der Waals forces between atoms in electromagnetic fields

Science.gov (United States)

Sherkunov, Yury

2018-03-01

We study theoretically the van der Waals interaction between two atoms out of equilibrium with an isotropic electromagnetic field. We demonstrate that at large interatomic separations, the van der Waals forces are resonant, spatially oscillating, and nonreciprocal due to resonance absorption and emission of virtual photons. We suggest that the van der Waals forces can be controlled and manipulated by tuning the spectrum of artificially created random light.

Scattering of thermal He beams by crossed atomic and molecular beams. I. Sensitivity of the elastic differential cross section to the interatomic potential

International Nuclear Information System (INIS)

Keil, M.; Kuppermann, A.

1978-01-01

The ability of diffraction oscillations in atomic beam scattering experiments to uniquely determine interatomic potentials for highly quantal systems is examined. Assumed but realistic potentials are used to generate, by scattering calculations and incorporation of random errors, differential cross sections which are then treated as if they were ''experimental'' data. From these, attempts are made to recover the initial potential by varying the parameters of assumed mathematical forms different from the original one, until a best fit to the ''experimental'' results is obtained. It is found that the region of the interaction potential around the van der Waals minimum is accurately determined by the ''measured'' differential cross sections over a range of interatomic separations significantly wider than would be expected classically. It is also found, for collision energies at which the weakly repulsive wall is appreciably sampled, that the SPF--Dunham and double Morse--van der Waals types of potentials lead to accurate determinations of the interatomic potential, whereas many other mathematical forms do not. Analytical parameterizations most appropriate for obtaining accurate interatomic potentials from thermal DCS experiments, for a given highly quantal system, may depend on the collision energy used

Interatomic interaction of additive elements and their influence on the processes in the double metal solutions

Directory of Open Access Journals (Sweden)

Марина Анатоліівна Рябікіна

2016-07-01

Full Text Available Modern industry uses a lot of elements as additives to improve the service characteristics of metal products that are to be used for various purposes. These elements can be divided into two groups: the first group includes the elements interacting with iron and improving its characteristics (alloying elements, and the second group includes the elements, that modify the characteristics of the structure and properties in an undesirable direction. These are trace elements: S, P, O, As, and others in steel. The negative impact of these elements shows itself as banding, the formation of non-metallic inclusions, flakes, grain boundary segregations et al. The influence of the elements of the both groups on the properties of steel depends on the nature and level of interatomic interaction in the alloy. Computational and analytical study of the major impurity elements in steel impact on the interatomic bond strength and the probability of forming complexes, clusters, and chemical compounds with the basic alloying elements in the steel has been carried out in the work. The theoretical parameter which defines the strength of the ion-covalent bond of two atoms: non-metallic – metallic is the electronegativity of elements. The electronegativity difference of the metal and non-metallic elements increasing, the ionic bonding and thermodynamic stability of these compounds  increase. On the other hand, concentration of valent electrons is a universal characteristic of an atomic element which determines many of its properties, and especially the energy of interatomic interaction. Energy calculations of pairwise interatomic impurity elements: H, C, N, S, P, As interaction with Fe and major alloying elements in steel: Mn, Cr, Si, V, Al, Ti, W, Cu, Mo, Nb were made. It has been stated that all the impurity elements except phosphorus, hydrogen and arsenic have sufficient high adhesion with the majority of the metal elements in the modern steels. Phosphorus does

Modified embedded-atom method interatomic potential for the Fe-Al system

International Nuclear Information System (INIS)

Lee, Eunkoo; Lee, Byeong-Joo

2010-01-01

An interatomic potential for the Fe-Al binary system has been developed based on the modified embedded-atom method (MEAM) potential formalism. The potential can describe various fundamental physical properties of Fe-Al binary alloys-structural, elastic and thermodynamic properties, defect formation behavior and interactions between defects-in reasonable agreement with experimental data or higher-level calculations. The applicability of the potential to atomistic investigations of various defect formation behaviors and their effects on the mechanical properties of high aluminum steels as well as Fe-Al binary alloys is demonstrated.

Interatomic potentials for fusion reactor material simulations

International Nuclear Information System (INIS)

Bjoerkas, C.

2009-01-01

In this thesis, the behaviour of a material situated in a fusion reactor was studied using molecular dynamics simulations. Simulations of processes in the next generation fusion reactor ITER include the reactor materials beryllium, carbon and tungsten as well as the plasma hydrogen isotopes. This means that interaction models, i.e. interatomic potentials, for this complicated quaternary system are needed. The task of finding such potentials is nonetheless nearly at its end, since models for the beryllium-carbon-hydrogen interactions were constructed in this thesis and as a continuation of that work, a beryllium-tungsten model is under development. These potentials are combinable with the earlier tungsten-carbon-hydrogen ones. The potentials were used to explain the chemical sputtering of beryllium due to deuterium plasma exposure. During experiments, a large fraction of the sputtered beryllium atoms were observed to be released as BeD molecules, and the simulations identified the swift chemical sputtering mechanism, previously not believed to be important in metals, as the underlying mechanism. Radiation damage in the reactor structural materials vanadium, iron and iron chromium, as well as in the wall material tungsten and the mixed alloy tungsten carbide, was also studied in this thesis. Interatomic potentials for vanadium, tungsten and iron were modified to be better suited for simulating collision cascades that are formed during particle irradiation, and the potential features affecting the resulting primary damage were identified. Including the often neglected electronic effects in the simulations was also shown to have an impact on the damage. With proper tuning of the electronphonon interaction strength, experimentally measured quantities related to ion-beam mixing in iron could be reproduced. The damage in tungsten carbide alloys showed elemental asymmetry, as the major part of the damage consisted of carbon defects. On the other hand, modelling the damage

VoroMQA: Assessment of protein structure quality using interatomic contact areas.

Science.gov (United States)

Olechnovič, Kliment; Venclovas, Česlovas

2017-06-01

In the absence of experimentally determined protein structure many biological questions can be addressed using computational structural models. However, the utility of protein structural models depends on their quality. Therefore, the estimation of the quality of predicted structures is an important problem. One of the approaches to this problem is the use of knowledge-based statistical potentials. Such methods typically rely on the statistics of distances and angles of residue-residue or atom-atom interactions collected from experimentally determined structures. Here, we present VoroMQA (Voronoi tessellation-based Model Quality Assessment), a new method for the estimation of protein structure quality. Our method combines the idea of statistical potentials with the use of interatomic contact areas instead of distances. Contact areas, derived using Voronoi tessellation of protein structure, are used to describe and seamlessly integrate both explicit interactions between protein atoms and implicit interactions of protein atoms with solvent. VoroMQA produces scores at atomic, residue, and global levels, all in the fixed range from 0 to 1. The method was tested on the CASP data and compared to several other single-model quality assessment methods. VoroMQA showed strong performance in the recognition of the native structure and in the structural model selection tests, thus demonstrating the efficacy of interatomic contact areas in estimating protein structure quality. The software implementation of VoroMQA is freely available as a standalone application and as a web server at http://bioinformatics.lt/software/voromqa. Proteins 2017; 85:1131-1145. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

The influence of local volume forces on surface relaxation of pure metals and alloys: Applications to Ni, Al, Ni3Al

International Nuclear Information System (INIS)

Savino, E.J.; Farkas, D.

1987-11-01

We present an analysis of the relative influence of the interatomic potential, lattice structure and defect symmetry on the calculated and measured distortion for the free surfaces of alloys and pure metals. In particular, the effect of using local ''volume'' dependent interactions is studied, as opposed to simple pair interatomic forces. The dependence of the relaxation on the lattice structure is examined by comparing pure metals with ordered alloys. A Green function method for surface relaxation is presented and used for the above analysis as well as for studying the influence of different surface symmetries. Examples based on computer simulation of Ni, Al and Ni 3 Al for some surface orientations are presented. (author). 33 refs, 4 figs

Quantum dynamics of a BEC interacting with a single-mode quantized field in the presence of interatom collisions

Energy Technology Data Exchange (ETDEWEB)

Ghasemian, E. [Atomic and Molecular Group, Faculty of Physics, Yazd University, Yazd (Iran, Islamic Republic of); Tavassoly, M.K., E-mail: mktavassoly@yazd.ac.ir [Atomic and Molecular Group, Faculty of Physics, Yazd University, Yazd (Iran, Islamic Republic of); Photonics Research Group, Engineering Research Center, Yazd University, Yazd (Iran, Islamic Republic of); The Laboratory of Quantum Information Processing, Yazd University, Yazd (Iran, Islamic Republic of)

2016-09-23

In this paper, we consider a model in which N two-level atoms in a Bose–Einstein condensate (BEC) interact with a single-mode quantized laser field. Our goal is to investigate the quantum dynamics of atoms in the BEC in the presence of interatom interactions. To achieve the purpose, at first, using the collective angular momentum operators, we try to reduce the dynamical Hamiltonian of the system to a well-known Jaynes–Cummings like model (JCM). We also use the Dicke model to construct the state of atomic subsystem, by which the analytical solution of the system may be obtained. Then, we analyze the atomic population inversion, the degree of entanglement between the “atoms in BEC” and the “field” as well as the Mandel parameter. Numerical results show that, the atomic population inversion, atom-field entanglement and quantum statistics of photons are very sensitive to the evolved parameters in the model (and so can be well-adjusted), such as the number of atoms in BEC, the intensity of initial field, the interatom coupling constant and detuning. To investigate the entanglement properties, we pay attention to the entropy and linear entropy. It is shown that, oscillations in the two entropy criteria may be seen, with some maxima of entanglement at some moments of time. Finally, looking for the quantum statistics, we evaluate the Mandel parameter, by which we demonstrate the sub-Poissonian statistics and so the nonclassical characteristics of the field state of system. Collapse-revival phenomenon, which is a distinguishable nonclassical characteristic of the system, can be apparently observed in the atomic population inversion and the Mandel parameter. - Highlights: • N two-level atoms in a BEC interacting with a laser field in the presence of interatom interactions is considered. • The atomic population inversion, degree of entanglement between the “atoms in BEC” and the “field” and the Mandel parameter are investigated. • Collapse

Concerning the theory of radiation cascades of atomic collisions in a solid with an arbitrary interatomic interaction potential

International Nuclear Information System (INIS)

Ryazanov, A.I.; Metelkin, E.V.

1980-01-01

Cascades of atomic collisions created by high energy particles as a result of irradiation of solids by them are considered. The solution of the problem is based on the investigation of the Boltzmann stationary kinetic equation for moving atoms. For this equation a model scattering indicatrix is constructed with an arbitrary form of the potential of interaction of moving atoms with lattice atoms. The choice of the model scattering indicatrix of atoms is determined by the normalization, the average energy loss in a single collision and by the deviation of the energy losses really occurring in the collision from the mean value, as well as by the initial kinetic equation for moving atoms. The energy distribution of moving atoms for arbitrary interatomic interaction potentials has been obtained using the constructed model scattering indicatrix. On the basis of the theory constructed a cascade is calculated with an interatomic interaction potential in the form of the Thomas-Fermi potential and the power potential. (author)

Study of interatomic potential and thermal structural properties of β-Zn4Sb3

International Nuclear Information System (INIS)

Li, Guodong; Li, Yao; Liu, Lisheng; Zhang, Qingjie; Zhai, Pengcheng

2012-01-01

Highlights: ► The multi-body interatomic potentials of various models of β-Zn 4 Sb 3 have been developed to describe atomic interactions. ► The radial distribution function shows that the 10% vacancy of Zn site leads to the disorder of β-Zn 4 Sb 3 . ► The 10% vacancy of Zn site is the main cause of the exceptional low thermal conductivity. -- Abstract: Previous experimental research shows that the disordered Zn atoms in β-Zn 4 Sb 3 may have an important influence on its exceptionally low thermal conductivity and easily occurred phase transition. So the present work aims to study the influence of disordered Zn atoms on thermodynamics properties of β-Zn 4 Sb 3 by using molecular dynamics (MD) method. Firstly, based on first principles calculation and experimental results, the interatomic potentials of β-Zn 4 Sb 3 and MD analysis method are established, and the feasibility is verified. Then, the influence of disordered Zn atoms on thermal conductivity of β-Zn 4 Sb 3 is studied in detail. The simulation results indicate that the 10% vacant Zn atoms is the main reason for the exceptionally low thermal conductivity of β-Zn 4 Sb 3 , and it seems that the interstitial Zn atoms have little effect on its thermal conductivity.

First-principles interatomic potentials for transition-metal aluminides. III. Extension to ternary phase diagrams

Science.gov (United States)

Widom, Mike; Al-Lehyani, Ibrahim; Moriarty, John A.

2000-08-01

Modeling structural and mechanical properties of intermetallic compounds and alloys requires detailed knowledge of their interatomic interactions. The first two papers of this series [Phys. Rev. B 56, 7905 (1997); 58, 8967 (1998)] derived first-principles interatomic potentials for transition-metal (TM) aluminides using generalized pseudopotential theory (GPT). Those papers focused on binary alloys of aluminum with first-row transition metals and assessed the ability of GPT potentials to reproduce and elucidate the alloy phase diagrams of Al-Co and Al-Ni. This paper addresses the phase diagrams of the binary alloy Al-Cu and the ternary systems Al-Co-Cu and Al-Co-Ni, using GPT pair potentials calculated in the limit of vanishing transition-metal concentration. Despite this highly simplifying approximation, we find rough agreement with the known low-temperature phase diagrams, up to 50% total TM concentration provided the Co fraction is below 25%. Full composition-dependent potentials and many-body interactions would be required to correct deficiencies at higher Co concentration. Outside this troublesome region, the experimentally determined stable and metastable phases all lie on or near the convex hull of a scatter plot of energy versus composition. We verify, qualitatively, reported solubility ranges extending binary alloys into the ternary diagram in both Al-Co-Cu and Al-Co-Ni. Finally, we reproduce previously conjectured transition-metal positions in the decagonal quasicrystal phase.

An interatomic potential for studying CuZr bulk metallic glasses

International Nuclear Information System (INIS)

Paduraru, A.; Kenoufi, A.; Bailey, N.P.; Schioetz, J.

2007-01-01

Glass forming ability has been found in only a small number of binary alloys, one being CuZr. In order to simulate this glass, we fitted an interatomic potential within Effective Medium Theory (EMT). For this purpose we use basic properties of the B2 crystal structure as calculated from Density Functional Theory (DFT) or obtained from experiments. We then performed Molecular Dynamics (MD) simulations of the cooling process and studied the thermodynamics and structure of CuZr glass. We find that the potential gives a good description of the CuZr glass, with a glass transition temperature and elastic constants close to the experimental values. The local atomic order, as witnessed by the radial distribution function, is also consistent with similar experimental data. (Abstract Copyright [2007], Wiley Periodicals, Inc.)

Segregation in ternary alloys: an interplay of driving forces

International Nuclear Information System (INIS)

Luyten, J.; Helfensteyn, S.; Creemers, C.

2003-01-01

Monte Carlo (MC) simulations combined with the constant bond energy (CBE) model are set up to explore and understand the general segregation behaviour in ternary alloys as a function of composition and more in particular the segregation to Cu-Ni-Al (1 0 0) surfaces. Besides its simplicity, allowing swift simulations, which are necessary for a first general survey over all possible compositions, one of the advantages of the CBE model lies in the possibility to clearly identify the different driving forces for segregation. All simulations are performed in the Grand Canonical Ensemble, using a new algorithm to determine the chemical potential of the components. Notwithstanding the simplicity of the CBE model, one extra feature is evidenced: depending on the values of the interatomic interaction parameters, in some regions of the ternary diagram, a single solid solution becomes thermodynamically unstable, leading to demixing into two conjugate phases. The simulations are first done for three hypothetical systems that are however representative for real alloy systems. The three systems are characterised by different sets of interatomic interaction parameters. These extensive simulations over the entire composition range of the ternary alloy yield a 'topographical' segregation map, showing distinct regions where different species segregate. These distinct domains originate from a variable interplay between the driving forces for segregation and attractive/repulsive interactions in the bulk of the alloy. The results on these hypothetical systems are very helpful for a better understanding of the segregation behaviour in Cu-Ni-Al and other ternary alloys

A W−Ne interatomic potential for simulation of neon implantation in tungsten

Energy Technology Data Exchange (ETDEWEB)

Backman, Marie; Juslin, Niklas; Huang, Guiyang [Department of Nuclear Engineering, University of Tennessee, Knoxville, TN 37996-2300 (United States); Wirth, Brian D., E-mail: bdwirth@utk.edu [Department of Nuclear Engineering, University of Tennessee, Knoxville, TN 37996-2300 (United States); P.O. Box 2008, MS-6003, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States)

2016-08-15

An interatomic pair potential for W−Ne is developed for atomistic molecular dynamics simulations of neon implantation in tungsten. The new potential predicts point defect energies and binding energies of small clusters that are in good agreement with electronic structure calculations. Molecular dynamics simulations of small neon clusters in tungsten show that trap mutation, in which an interstitial neon cluster displaces a tungsten atom from its lattice site, occurs for clusters of three or more neon atoms. However, near a free surface, trap mutation can occur at smaller sizes, including even a single neon interstitial in close proximity to a (100) or (110) surface.

Extending the accuracy of the SNAP interatomic potential form

Science.gov (United States)

Wood, Mitchell A.; Thompson, Aidan P.

2018-06-01

The Spectral Neighbor Analysis Potential (SNAP) is a classical interatomic potential that expresses the energy of each atom as a linear function of selected bispectrum components of the neighbor atoms. An extension of the SNAP form is proposed that includes quadratic terms in the bispectrum components. The extension is shown to provide a large increase in accuracy relative to the linear form, while incurring only a modest increase in computational cost. The mathematical structure of the quadratic SNAP form is similar to the embedded atom method (EAM), with the SNAP bispectrum components serving as counterparts to the two-body density functions in EAM. The effectiveness of the new form is demonstrated using an extensive set of training data for tantalum structures. Similar to artificial neural network potentials, the quadratic SNAP form requires substantially more training data in order to prevent overfitting. The quality of this new potential form is measured through a robust cross-validation analysis.

First-principles interatomic potentials for transition-metal aluminides. III. Extension to ternary phase diagrams

International Nuclear Information System (INIS)

Widom, Mike; Al-Lehyani, Ibrahim; Moriarty, John A.

2000-01-01

Modeling structural and mechanical properties of intermetallic compounds and alloys requires detailed knowledge of their interatomic interactions. The first two papers of this series [Phys. Rev. B 56, 7905 (1997); 58, 8967 (1998)] derived first-principles interatomic potentials for transition-metal (TM) aluminides using generalized pseudopotential theory (GPT). Those papers focused on binary alloys of aluminum with first-row transition metals and assessed the ability of GPT potentials to reproduce and elucidate the alloy phase diagrams of Al-Co and Al-Ni. This paper addresses the phase diagrams of the binary alloy Al-Cu and the ternary systems Al-Co-Cu and Al-Co-Ni, using GPT pair potentials calculated in the limit of vanishing transition-metal concentration. Despite this highly simplifying approximation, we find rough agreement with the known low-temperature phase diagrams, up to 50% total TM concentration provided the Co fraction is below 25%. Full composition-dependent potentials and many-body interactions would be required to correct deficiencies at higher Co concentration. Outside this troublesome region, the experimentally determined stable and metastable phases all lie on or near the convex hull of a scatter plot of energy versus composition. We verify, qualitatively, reported solubility ranges extending binary alloys into the ternary diagram in both Al-Co-Cu and Al-Co-Ni. Finally, we reproduce previously conjectured transition-metal positions in the decagonal quasicrystal phase. (c) 2000 The American Physical Society

Changes in the vibrational energies and interatomic spacings upon the formation of vacancies in the volume and in the cores of crystallite conjugation regions of polycrystalline transition metals with cubic lattices

International Nuclear Information System (INIS)

Klotsman, S.M.; Timofeev, A.N.

2008-01-01

Measured changes (ε vac ) i,j of vibrational energy on vacancies formation in i-fields (in volumes and nuclei of crystallite conjugation regions of polycrystalline metals (CCR-PM)): Cr, Mo, Ta, W, Cu, Ir are presented. Changes ε vol of vibrational energy of vacancy nearest environment formed in the metal volume, changes ε FCC of vibrational energy when vacancies formation in CCR nuclei of BCC- and FCC lattices transition metals are discussed. Measured changes ε FCC of vibrational energy, u FCC potential energy and determined sign of interatomic distances changes Δa FCC when formation of split vacancy in the FCC-lattice CCR-PM, changes ε BCC of vibrational energy, u BCC potential energy and determined sign of Δa BCC changes of interatomic distances when vacancies formation in the BCC-lattice CCR-PM are demonstrated. It is noted that the increase of interatomic distances when vacancies formation in the BCC-lattice CCR nucleus of transition metals is conditioned by the the appearance of vacancies alternative structure. Properties of CCR-PM nuclei are more sensitive to interatomic distances changes in the vacancies environment, than to changes of its nearest neighbours numbers [ru

Nonequilibrium forces between neutral atoms mediated by a quantum field

International Nuclear Information System (INIS)

Behunin, Ryan O.; Hu, Bei-Lok

2010-01-01

We study forces between two neutral atoms, modeled as three-dimensional harmonic oscillators, arising from mutual influences mediated by an electromagnetic field but not from their direct interactions. We allow as dynamical variables the center-of-mass motion of the atom, its internal degrees of freedom, and the quantum field treated relativistically. We adopt the method of nonequilibrium quantum field theory which can provide a first-principles, systematic, and unified description including the intrinsic and induced dipole fluctuations. The inclusion of self-consistent back-actions makes possible a fully dynamical description of these forces valid for general atom motion. In thermal equilibrium we recover the known forces--London, van der Waals, and Casimir-Polder--between neutral atoms in the long-time limit. We also reproduce a recently reported force between atoms when the system is out of thermal equilibrium at late times. More noteworthy is the discovery of the existence of a type of (or identification of the source of some known) interatomic force which we call the ''entanglement force,'' originating from the quantum correlations of the internal degrees of freedom of entangled atoms.

ATK-ForceField: a new generation molecular dynamics software package

Science.gov (United States)

Schneider, Julian; Hamaekers, Jan; Chill, Samuel T.; Smidstrup, Søren; Bulin, Johannes; Thesen, Ralph; Blom, Anders; Stokbro, Kurt

2017-12-01

ATK-ForceField is a software package for atomistic simulations using classical interatomic potentials. It is implemented as a part of the Atomistix ToolKit (ATK), which is a Python programming environment that makes it easy to create and analyze both standard and highly customized simulations. This paper will focus on the atomic interaction potentials, molecular dynamics, and geometry optimization features of the software, however, many more advanced modeling features are available. The implementation details of these algorithms and their computational performance will be shown. We present three illustrative examples of the types of calculations that are possible with ATK-ForceField: modeling thermal transport properties in a silicon germanium crystal, vapor deposition of selenium molecules on a selenium surface, and a simulation of creep in a copper polycrystal.

Atomistic simulations of TeO₂-based glasses: interatomic potentials and molecular dynamics.

Science.gov (United States)

Gulenko, Anastasia; Masson, Olivier; Berghout, Abid; Hamani, David; Thomas, Philippe

2014-07-21

In this work we present for the first time empirical interatomic potentials that are able to reproduce TeO2-based systems. Using these potentials in classical molecular dynamics simulations, we obtained first results for the pure TeO2 glass structure model. The calculated pair distribution function is in good agreement with the experimental one, which indicates a realistic glass structure model. We investigated the short- and medium-range TeO2 glass structures. The local environment of the Te atom strongly varies, so that the glass structure model has a broad Q polyhedral distribution. The glass network is described as weakly connected with a large number of terminal oxygen atoms.

An atomic string model for a screw dislocation in iron: Implications for the development of interatomic potentials

International Nuclear Information System (INIS)

Gilbert, M.R.; Dudarev, S.L.; Chiesa, S.; Derlet, P.M.

2009-01-01

Thermally activated motion of screw dislocations is the rate-determining mechanism for plastic deformation and fracture of body centred cubic (bcc) metals and alloys. Recent experimental observations by S.G. Roberts' group at Oxford showed that ductile-brittle behaviour of bcc vanadium, tungsten, pure iron, and iron-chromium alloys is controlled by an Arrhenius process in which the energy for thermal activation is proportional to the formation energy for a double kink on a b= 1/2 screw dislocation, where b is the Burgers vector of the dislocation. Interpreting these experimental observations and extending the analysis to the case of irradiated materials requires developing a full quantitative treatment for perfect and kinked screw dislocations. Modelling screw dislocations also presents a challenge for the development of interatomic potentials. Recent density functional theory (DFT) calculations have revealed that the ground-state structure of the core of screw dislocations in all the bcc transition metals is non-degenerate and symmetric, whereas inter-atomic potentials used in molecular dynamics simulations for these metals often predict a degenerate, symmetry-broken core-structure. In this work we show how, by treating the structure of a screw dislocation within a multistring Frenkel-Kontorova model, we can develop a criterion that guarantees the correct symmetric core of the dislocation. Extending this treatment, we find a systematic recipe for constructing Finnis-Sinclair-type potentials that are able, as a matter of routine, produce non-degenerate core structures of 1/2 screw dislocations. Modelling thermally activated mobility of screw dislocations also requires that the transition pathway between stable core positions of a dislocation is accurately reproduced. DFT data indicates that the shape of the 'Peierls energy barrier' is a single-hump curve, including transitional configurations close to the so-called 'hard' structure. Interatomic potentials have, up

Interatomic Potential to Simulate Radiation Damage in Fe-Cr Alloys

International Nuclear Information System (INIS)

Bonny, G.; Pasianot, R.; Terentyev, D.; Malerba, L.

2011-01-01

The report presents an Fe-Cr interatomic potential to model high-Cr ferritic alloys. The potential is fitted to thermodynamic and point-defect properties obtained from density functional theory (DFT) calculations and experiments. The developed potential is also benchmarked against other potentials available in literature. It shows particularly good agreement with the DFT obtained mixing enthalpy of the random alloy, the formation energy of intermetallics and experimental excess vibrational entropy and phase diagram. In addition, DFT calculated point-defect properties, both interstitial and substitutional, are well reproduced, as is the screw dislocation core structure. As a first validation of the potential, we study the precipitation hardening of Fe-Cr alloys via static simulations of the interaction between Cr precipitates and screw dislocations. It is concluded that the description of the dislocation core modification near a precipitate might have a significant influence on the interaction mechanisms observed in dynamic simulations.

Interatomic Potential to Simulate Radiation Damage in Fe-Cr Alloys

Energy Technology Data Exchange (ETDEWEB)

Bonny, G.; Pasianot, R.; Terentyev, D.; Malerba, L.

2011-03-15

The report presents an Fe-Cr interatomic potential to model high-Cr ferritic alloys. The potential is fitted to thermodynamic and point-defect properties obtained from density functional theory (DFT) calculations and experiments. The developed potential is also benchmarked against other potentials available in literature. It shows particularly good agreement with the DFT obtained mixing enthalpy of the random alloy, the formation energy of intermetallics and experimental excess vibrational entropy and phase diagram. In addition, DFT calculated point-defect properties, both interstitial and substitutional, are well reproduced, as is the screw dislocation core structure. As a first validation of the potential, we study the precipitation hardening of Fe-Cr alloys via static simulations of the interaction between Cr precipitates and screw dislocations. It is concluded that the description of the dislocation core modification near a precipitate might have a significant influence on the interaction mechanisms observed in dynamic simulations.

On macromolecular refinement at subatomic resolution with interatomic scatterers

Energy Technology Data Exchange (ETDEWEB)

Afonine, Pavel V., E-mail: pafonine@lbl.gov; Grosse-Kunstleve, Ralf W.; Adams, Paul D. [Lawrence Berkeley National Laboratory, One Cyclotron Road, BLDG 64R0121, Berkeley, CA 94720 (United States); Lunin, Vladimir Y. [Institute of Mathematical Problems of Biology, Russian Academy of Sciences, Pushchino 142290 (Russian Federation); Urzhumtsev, Alexandre [IGMBC, 1 Rue L. Fries, 67404 Illkirch and IBMC, 15 Rue R. Descartes, 67084 Strasbourg (France); Faculty of Sciences, Nancy University, 54506 Vandoeuvre-lès-Nancy (France); Lawrence Berkeley National Laboratory, One Cyclotron Road, BLDG 64R0121, Berkeley, CA 94720 (United States)

2007-11-01

Modelling deformation electron density using interatomic scatters is simpler than multipolar methods, produces comparable results at subatomic resolution and can easily be applied to macromolecules. A study of the accurate electron-density distribution in molecular crystals at subatomic resolution (better than ∼1.0 Å) requires more detailed models than those based on independent spherical atoms. A tool that is conventionally used in small-molecule crystallography is the multipolar model. Even at upper resolution limits of 0.8–1.0 Å, the number of experimental data is insufficient for full multipolar model refinement. As an alternative, a simpler model composed of conventional independent spherical atoms augmented by additional scatterers to model bonding effects has been proposed. Refinement of these mixed models for several benchmark data sets gave results that were comparable in quality with the results of multipolar refinement and superior to those for conventional models. Applications to several data sets of both small molecules and macromolecules are shown. These refinements were performed using the general-purpose macromolecular refinement module phenix.refine of the PHENIX package.

Building machine learning force fields for nanoclusters

Science.gov (United States)

Zeni, Claudio; Rossi, Kevin; Glielmo, Aldo; Fekete, Ádám; Gaston, Nicola; Baletto, Francesca; De Vita, Alessandro

2018-06-01

We assess Gaussian process (GP) regression as a technique to model interatomic forces in metal nanoclusters by analyzing the performance of 2-body, 3-body, and many-body kernel functions on a set of 19-atom Ni cluster structures. We find that 2-body GP kernels fail to provide faithful force estimates, despite succeeding in bulk Ni systems. However, both 3- and many-body kernels predict forces within an ˜0.1 eV/Å average error even for small training datasets and achieve high accuracy even on out-of-sample, high temperature structures. While training and testing on the same structure always provide satisfactory accuracy, cross-testing on dissimilar structures leads to higher prediction errors, posing an extrapolation problem. This can be cured using heterogeneous training on databases that contain more than one structure, which results in a good trade-off between versatility and overall accuracy. Starting from a 3-body kernel trained this way, we build an efficient non-parametric 3-body force field that allows accurate prediction of structural properties at finite temperatures, following a newly developed scheme [A. Glielmo et al., Phys. Rev. B 95, 214302 (2017)]. We use this to assess the thermal stability of Ni19 nanoclusters at a fractional cost of full ab initio calculations.

Efficient nonparametric n -body force fields from machine learning

Science.gov (United States)

Glielmo, Aldo; Zeni, Claudio; De Vita, Alessandro

2018-05-01

We provide a definition and explicit expressions for n -body Gaussian process (GP) kernels, which can learn any interatomic interaction occurring in a physical system, up to n -body contributions, for any value of n . The series is complete, as it can be shown that the "universal approximator" squared exponential kernel can be written as a sum of n -body kernels. These recipes enable the choice of optimally efficient force models for each target system, as confirmed by extensive testing on various materials. We furthermore describe how the n -body kernels can be "mapped" on equivalent representations that provide database-size-independent predictions and are thus crucially more efficient. We explicitly carry out this mapping procedure for the first nontrivial (three-body) kernel of the series, and we show that this reproduces the GP-predicted forces with meV /Å accuracy while being orders of magnitude faster. These results pave the way to using novel force models (here named "M-FFs") that are computationally as fast as their corresponding standard parametrized n -body force fields, while retaining the nonparametric character, the ease of training and validation, and the accuracy of the best recently proposed machine-learning potentials.

Inter-atomic force constants of BaF{sub 2} by diffuse neutron scattering measurement

Energy Technology Data Exchange (ETDEWEB)

Sakuma, Takashi, E-mail: sakuma@mx.ibaraki.ac.jp; Makhsun,; Sakai, Ryutaro [Institute of Applied Beam Science, Ibaraki University, Mito 310-8512 (Japan); Xianglian [College of Physics and Electronics Information, Inner Mongolia University for the Nationalities, Tongliao 028043 (China); Takahashi, Haruyuki [Institute of Applied Beam Science, Ibaraki University, Hitachi 316-8511 (Japan); Basar, Khairul [Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Bandung 40132 (Indonesia); Igawa, Naoki [Quantum Beam Science Directorate, Japan Atomic Energy Agency, Tokai 319-1195 (Japan); Danilkin, Sergey A. [Bragg Institute, Australian Nuclear Science and Technology Organisation, Kirrawee DC NSW 2232 (Australia)

2015-04-16

Diffuse neutron scattering measurement on BaF{sub 2} crystals was performed at 10 K and 295 K. Oscillatory form in the diffuse scattering intensity of BaF{sub 2} was observed at 295 K. The correlation effects among thermal displacements of F-F atoms were obtained from the analysis of oscillatory diffuse scattering intensity. The force constants among neighboring atoms in BaF{sub 2} were determined and compared to those in ionic crystals and semiconductors.

Interplay of intra-atomic and interatomic effects: An investigation of the 2p core level spectra of atomic Fe and molecular FeCl2

International Nuclear Information System (INIS)

Richter, T.; Wolff, T.; Zimmermann, P.; Godehusen, K.; Martins, M.

2004-01-01

The 2p photoabsorption and photoelectron spectra of atomic Fe and molecular FeCl 2 were studied by photoion and photoelectron spectroscopy using monochromatized synchrotron radiation and atomic or molecular beam technique. The atomic spectra were analyzed with configuration interaction calculations yielding excellent agreement between experiment and theory. For the analysis of the molecular photoelectron spectrum which shows pronounced interatomic effects, a charge transfer model was used, introducing an additional 3d 7 configuration. The resulting good agreement between the experimental and theoretical spectrum and the remarkable similarity of the molecular with the corresponding spectrum in the solid phase opens a way to a better understanding of the interplay of the interatomic and intra-atomic interactions in the 2p core level spectra of the 3d metal compounds

An atomistic fingerprint algorithm for learning ab initio molecular force fields

Science.gov (United States)

Tang, Yu-Hang; Zhang, Dongkun; Karniadakis, George Em

2018-01-01

Molecular fingerprints, i.e., feature vectors describing atomistic neighborhood configurations, is an important abstraction and a key ingredient for data-driven modeling of potential energy surface and interatomic force. In this paper, we present the density-encoded canonically aligned fingerprint algorithm, which is robust and efficient, for fitting per-atom scalar and vector quantities. The fingerprint is essentially a continuous density field formed through the superimposition of smoothing kernels centered on the atoms. Rotational invariance of the fingerprint is achieved by aligning, for each fingerprint instance, the neighboring atoms onto a local canonical coordinate frame computed from a kernel minisum optimization procedure. We show that this approach is superior over principal components analysis-based methods especially when the atomistic neighborhood is sparse and/or contains symmetry. We propose that the "distance" between the density fields be measured using a volume integral of their pointwise difference. This can be efficiently computed using optimal quadrature rules, which only require discrete sampling at a small number of grid points. We also experiment on the choice of weight functions for constructing the density fields and characterize their performance for fitting interatomic potentials. The applicability of the fingerprint is demonstrated through a set of benchmark problems.

Atomistic simulation of tantalum nanoindentation: Effects of indenter diameter, penetration velocity, and interatomic potentials on defect mechanisms and evolution

International Nuclear Information System (INIS)

Ruestes, C.J.; Stukowski, A.; Tang, Y.; Tramontina, D.R.; Erhart, P.; Remington, B.A.; Urbassek, H.M.; Meyers, M.A.; Bringa, E.M.

2014-01-01

Nanoindentation simulations are a helpful complement to experiments. There is a dearth of nanoindentation simulations for bcc metals, partly due to the lack of computationally efficient and reliable interatomic potentials at large strains. We carry out indentation simulations for bcc tantalum using three different interatomic potentials and present the defect mechanisms responsible for the creation and expansion of the plastic deformation zone: twins are initially formed, giving rise to shear loop expansion and the formation of sequential prismatic loops. The calculated elastic constants as function of pressure as well as stacking fault energy surfaces explain the significant differences found in the defect structures generated for the three potentials investigated in this study. The simulations enable the quantification of total dislocation length and twinning fraction. The indenter velocity is varied and, as expected, the penetration depth for the first pop-in (defect emission) event shows a strain rate sensitivity m in the range of 0.037–0.055. The effect of indenter diameter on the first pop-in is discussed. A new intrinsic length-scale model is presented based on the profile of the residual indentation and geometrically necessary dislocation theory

Atomistic simulation of tantalum nanoindentation: Effects of indenter diameter, penetration velocity, and interatomic potentials on defect mechanisms and evolution

Energy Technology Data Exchange (ETDEWEB)

Ruestes, C.J., E-mail: cjruestes@hotmail.com [Department of Mechanical and Aerospace Engineering, University of California, San Diego, La Jolla, CA 92093 (United States); Facultad de Ciencias Exactas y Naturales, Univ. Nac. de Cuyo, Mendoza 5500 (Argentina); CONICET, Mendoza 5500 (Argentina); Stukowski, A. [Technische Universität Darmstadt, Darmstadt 64287 (Germany); Tang, Y. [Shanghai Institute of Applied Mathematics and Mechanics, Shanghai University, Shanghai 200072 (China); Tramontina, D.R. [Facultad de Ciencias Exactas y Naturales, Univ. Nac. de Cuyo, Mendoza 5500 (Argentina); Erhart, P. [Chalmers University of Technology, Department of Applied Physics, Gothenburg 41296 (Sweden); Remington, B.A. [Lawrence Livermore National Lab, Livermore, CA 94550 (United States); Urbassek, H.M. [Physics Department and Research Center OPTIMAS, University of Kaiserslautern, Kaiserslautern 67663 (Germany); Meyers, M.A. [Department of Mechanical and Aerospace Engineering, University of California, San Diego, La Jolla, CA 92093 (United States); Bringa, E.M. [Facultad de Ciencias Exactas y Naturales, Univ. Nac. de Cuyo, Mendoza 5500 (Argentina); CONICET, Mendoza 5500 (Argentina)

2014-09-08

Nanoindentation simulations are a helpful complement to experiments. There is a dearth of nanoindentation simulations for bcc metals, partly due to the lack of computationally efficient and reliable interatomic potentials at large strains. We carry out indentation simulations for bcc tantalum using three different interatomic potentials and present the defect mechanisms responsible for the creation and expansion of the plastic deformation zone: twins are initially formed, giving rise to shear loop expansion and the formation of sequential prismatic loops. The calculated elastic constants as function of pressure as well as stacking fault energy surfaces explain the significant differences found in the defect structures generated for the three potentials investigated in this study. The simulations enable the quantification of total dislocation length and twinning fraction. The indenter velocity is varied and, as expected, the penetration depth for the first pop-in (defect emission) event shows a strain rate sensitivity m in the range of 0.037–0.055. The effect of indenter diameter on the first pop-in is discussed. A new intrinsic length-scale model is presented based on the profile of the residual indentation and geometrically necessary dislocation theory.

Comparison of three empirical force fields for phonon calculations in CdSe quantum dots

Energy Technology Data Exchange (ETDEWEB)

Kelley, Anne Myers [Chemistry and Chemical Biology, University of California, Merced, 5200 North Lake Road, Merced, California 95343 (United States)

2016-06-07

Three empirical interatomic force fields are parametrized using structural, elastic, and phonon dispersion data for bulk CdSe and their predictions are then compared for the structures and phonons of CdSe quantum dots having average diameters of ~2.8 and ~5.2 nm (~410 and ~2630 atoms, respectively). The three force fields include one that contains only two-body interactions (Lennard-Jones plus Coulomb), a Tersoff-type force field that contains both two-body and three-body interactions but no Coulombic terms, and a Stillinger-Weber type force field that contains Coulombic interactions plus two-body and three-body terms. While all three force fields predict nearly identical peak frequencies for the strongly Raman-active “longitudinal optical” phonon in the quantum dots, the predictions for the width of the Raman peak, the peak frequency and width of the infrared absorption peak, and the degree of disorder in the structure are very different. The three force fields also give very different predictions for the variation in phonon frequency with radial position (core versus surface). The Stillinger-Weber plus Coulomb type force field gives the best overall agreement with available experimental data.

Retrieval of interatomic separations of molecules from laser-induced high-order harmonic spectra

International Nuclear Information System (INIS)

Le, Van-Hoang; Nguyen, Ngoc-Ty; Jin, C; Le, Anh-Thu; Lin, C D

2008-01-01

We illustrate an iterative method for retrieving the internuclear separations of N 2 , O 2 and CO 2 molecules using the high-order harmonics generated from these molecules by intense infrared laser pulses. We show that accurate results can be retrieved with a small set of harmonics and with one or few alignment angles of the molecules. For linear molecules the internuclear separations can also be retrieved from harmonics generated using isotropically distributed molecules. By extracting the transition dipole moment from the high-order harmonic spectra, we further demonstrated that it is preferable to retrieve the interatomic separation iteratively by fitting the extracted dipole moment. Our results show that time-resolved chemical imaging of molecules using infrared laser pulses with femtosecond temporal resolutions is possible

Transferable Force Field for Metal–Organic Frameworks from First-Principles: BTW-FF

Science.gov (United States)

2014-01-01

We present an ab-initio derived force field to describe the structural and mechanical properties of metal–organic frameworks (or coordination polymers). The aim is a transferable interatomic potential that can be applied to MOFs regardless of metal or ligand identity. The initial parametrization set includes MOF-5, IRMOF-10, IRMOF-14, UiO-66, UiO-67, and HKUST-1. The force field describes the periodic crystal and considers effective atomic charges based on topological analysis of the Bloch states of the extended materials. Transferable potentials were developed for the four organic ligands comprising the test set and for the associated Cu, Zn, and Zr metal nodes. The predicted materials properties, including bulk moduli and vibrational frequencies, are in agreement with explicit density functional theory calculations. The modal heat capacity and lattice thermal expansion are also predicted. PMID:25574157

Hypothetical planar and nanotubular crystalline structures with five interatomic bonds of Kepler nets type

Directory of Open Access Journals (Sweden)

Aleksey I. Kochaev

2017-02-01

Full Text Available The possibility of metastable existence of planar and non-chiral nanotubular crystalline lattices in the form of Kepler nets of 34324, 3342, and 346 types (the notations are given in Schläfly symbols, using ab initio calculations, has researched. Atoms of P, As, Sb, Bi from 15th group and atoms of S, Se, Te from 16th group of the periodic table were taken into consideration. The lengths of interatomic bonds corresponding to the steadiest states for such were determined. We found that among these new composed structures crystals encountered strong elastic properties. Besides, some of them can possess pyroelectric and piezoelectric properties. Our results can be used for nanoelectronics and nanoelectromechanical devices designing.

Retrieval of interatomic separations of molecules from laser-induced high-order harmonic spectra

Energy Technology Data Exchange (ETDEWEB)

Le, Van-Hoang; Nguyen, Ngoc-Ty [Department of Physics, University of Pedagogy, 280 An Duong Vuong, Ward 5, Ho Chi Minh City (Viet Nam); Jin, C; Le, Anh-Thu; Lin, C D [J. R. Macdonald Laboratory, Department of Physics, Kansas State University, Manhattan, KS 66506 (United States)

2008-04-28

We illustrate an iterative method for retrieving the internuclear separations of N{sub 2}, O{sub 2} and CO{sub 2} molecules using the high-order harmonics generated from these molecules by intense infrared laser pulses. We show that accurate results can be retrieved with a small set of harmonics and with one or few alignment angles of the molecules. For linear molecules the internuclear separations can also be retrieved from harmonics generated using isotropically distributed molecules. By extracting the transition dipole moment from the high-order harmonic spectra, we further demonstrated that it is preferable to retrieve the interatomic separation iteratively by fitting the extracted dipole moment. Our results show that time-resolved chemical imaging of molecules using infrared laser pulses with femtosecond temporal resolutions is possible.

Development of an interatomic EAM type potential for Zr; Desarrollo de un potencial interatomico del tipo EAM para Zr

Energy Technology Data Exchange (ETDEWEB)

Pasianot, R C; Monti, A M [Comision Nacional de Energia Atomica, San Martin (Argentina). Unidad de Actividad Materiales

1997-12-31

In the present work are developed interatomic potentials of the embedded atom type (EAM) adequate for computer simulation of microstructural defects in the Zr lattice. It is observed that the less repulsive potential agrees better with the experimental data of the self-interstitial relaxation volume and predicts the basal crowdion as the stable configuration, the basal dumbbell having a formation energy slightly higher (0.01 eV). (author). 9 refs., 1 fig., 3 tabs.

Thermal conductance of suspended nanoribbons: interplay between strain and interatomic potential nonlinearity

Science.gov (United States)

Barreto, Roberto; Florencia Carusela, M.; Monastra, Alejandro G.

2017-10-01

We investigate the role that nonlinearity in the interatomic potential has on the thermal conductance of a suspended nanoribbon when it is subjected to a longitudinal strain. To focus on the first cubic and quartic nonlinear terms of a general potential, we propose an atomic system based on an α-β Fermi-Pasta-Ulam nearest neighbor interaction. We perform classical molecular dynamics simulations to investigate the contribution of longitudinal, transversal and flexural modes to the thermal conductance as a function of the α-β parameters and the applied strain. We compare the cases where atoms are allowed to vibrate only in plane (2D) with the case of vibrations in and out of plane (3D). We find that the dependence of conductance on α and β relies on a crossover phenomenon between linear/nonlinear delocalized/localized flexural and transversal modes, driven by an on/off switch of the strain.

Derivation of Inter-Atomic Force Constants of Cu2O from Diffuse Neutron Scattering Measurement

Directory of Open Access Journals (Sweden)

T. Makhsun

2013-04-01

Full Text Available Neutron scattering intensity from Cu2O compound has been measured at 10 K and 295 K with High Resolution Powder Diffractometer at JRR-3 JAEA. The oscillatory diffuse scattering related to correlations among thermal displacements of atoms was observed at 295 K. The correlation parameters were determined from the observed diffuse scattering intensity at 10 and 295 K. The force constants between the neighboring atoms in Cu2O were estimated from the correlation parameters and compared to those of Ag2O

Evidence of interatomic Coulombic decay in ArKr after Ar 2p Auger decay

International Nuclear Information System (INIS)

Morishita, Y; Saito, N; Suzuki, I H; Fukuzawa, H; Liu, X-J; Sakai, K; Pruemper, G; Ueda, K; Iwayama, H; Nagaya, K; Yao, M; Kreidi, K; Schoeffler, M; Jahnke, T; Schoessler, S; Doerner, R; Weber, T; Harries, J; Tamenori, Y

2008-01-01

We have identified interatomic Coulombic decay (ICD) processes in the ArKr dimer following Ar 2p Auger decay, using momentum-resolved electron-ion-ion coincidence spectroscopy and simultaneously determining the kinetic energy of the ICD electron and the KER between Ar 2+ and Kr + . We find that the spin-conserved ICD processes in which Ar 2+ (3p -3 3d) 1 P and 3 P decay to Ar 2+ (3p -2 ) 1 D and 3 P, respectively, ionizing the Kr atom, are significantly stronger than the spin-flip ICD processes in which Ar 2+ (3p -3 3d) 1 P and 3 P decay to Ar 2+ (3p -2 ) 3 P and 1 D, respectively

Finite difference computation of Casimir forces

International Nuclear Information System (INIS)

Pinto, Fabrizio

2016-01-01

In this Invited paper, we begin by a historical introduction to provide a motivation for the classical problems of interatomic force computation and associated challenges. This analysis will lead us from early theoretical and experimental accomplishments to the integration of these fascinating interactions into the operation of realistic, next-generation micro- and nanodevices both for the advanced metrology of fundamental physical processes and in breakthrough industrial applications. Among several powerful strategies enabling vastly enhanced performance and entirely novel technological capabilities, we shall specifically consider Casimir force time-modulation and the adoption of non-trivial geometries. As to the former, the ability to alter the magnitude and sign of the Casimir force will be recognized as a crucial principle to implement thermodynamical nano-engines. As to the latter, we shall first briefly review various reported computational approaches. We shall then discuss the game-changing discovery, in the last decade, that standard methods of numerical classical electromagnetism can be retooled to formulate the problem of Casimir force computation in arbitrary geometries. This remarkable development will be practically illustrated by showing that such an apparently elementary method as standard finite-differencing can be successfully employed to numerically recover results known from the Lifshitz theory of dispersion forces in the case of interacting parallel-plane slabs. Other geometries will be also be explored and consideration given to the potential of non-standard finite-difference methods. Finally, we shall introduce problems at the computational frontier, such as those including membranes deformed by Casimir forces and the effects of anisotropic materials. Conclusions will highlight the dramatic transition from the enduring perception of this field as an exotic application of quantum electrodynamics to the recent demonstration of a human climbing

Probing the interatomic potential of solids with strong-field nonlinear phononics

Science.gov (United States)

von Hoegen, A.; Mankowsky, R.; Fechner, M.; Först, M.; Cavalleri, A.

2018-03-01

Nonlinear optical techniques at visible frequencies have long been applied to condensed matter spectroscopy. However, because many important excitations of solids are found at low energies, much can be gained from the extension of nonlinear optics to mid-infrared and terahertz frequencies. For example, the nonlinear excitation of lattice vibrations has enabled the dynamic control of material functions. So far it has only been possible to exploit second-order phonon nonlinearities at terahertz field strengths near one million volts per centimetre. Here we achieve an order-of-magnitude increase in field strength and explore higher-order phonon nonlinearities. We excite up to five harmonics of the A1 (transverse optical) phonon mode in the ferroelectric material lithium niobate. By using ultrashort mid-infrared laser pulses to drive the atoms far from their equilibrium positions, and measuring the large-amplitude atomic trajectories, we can sample the interatomic potential of lithium niobate, providing a benchmark for ab initio calculations for the material. Tomography of the energy surface by high-order nonlinear phononics could benefit many aspects of materials research, including the study of classical and quantum phase transitions.

Interatomic Coulombic electron capture in atomic, molecular, and quantum dot systems

Directory of Open Access Journals (Sweden)

Bande Annika

2015-01-01

Full Text Available The interatomic Coulombic electron capture (ICEC process has recently been predicted theoretically for clusters of atoms and molecules. For an atom A capturing an electron e(ε it competes with the well known photorecombination, because in an environment of neutral or anionic neighboring atoms B, A can transfer its excess energy in the ultrafast ICEC process to B which is then ionized. The cross section for e(ε + A + B → A− + B+ + e(ε′ has been obtained in an asymptotic approximation based on scattering theory for several clusters [1,2]. It was found that ICEC starts dominating the PR for distances among participating species of nanometers and lower. Therefore, we believe that the ICEC process might be of importance in the atmosphere, in biological systems, plasmas, or in nanostructured materials. As an example for the latter, ICEC has been investigated by means of electron dynamics in a model potential for semiconductor double quantum dots (QDs [3]. In the simplest case one QD captures an electron while the outgoing electron is emitted from the other. The reaction probability for this process was found to be relatively large.

Total scattering cross sections and interatomic potentials for neutral hydrogen and helium on some noble gases

International Nuclear Information System (INIS)

Ruzic, D.N.; Cohen, S.A.

1985-04-01

Measurements of energy-dependent scattering cross sections for 30 to 1800 eV D incident on He, Ne, Ar, and Kr, and for 40 to 850 eV He incident on He, Ar, and Kr are presented. They are determined by using the charge-exchange efflux from the Princeton Large Torus tokamak as a source of D or He. These neutrals are passed through a gas-filled scattering cell and detected by a time-of-flight spectrometer. The cross section for scattering greater than the effective angle of the apparatus (approx. =20 mrad) is found by measuring the energy-dependent attenuation of D or He as a function of pressure in the scattering cell. The interatomic potential is extracted from the data

Size-dependent disproportionation (in 2-20 nm regime) and hybrid Bond Valence derived interatomic potentials for BaTaO2N

Science.gov (United States)

Anbalagan, Kousika; Thomas, Tiju

2018-05-01

Interatomic potentials for complex materials (like ceramic systems) are important for realistic molecular dynamics (MD) simulations. Such simulations are relevant for understanding equilibrium, transport and dynamical properties of materials, especially in the nanoregime. Here we derive a hybrid interatomic potential (based on bond valence (BV) derived Morse and Coulomb terms), for modeling a complex ceramic, barium tantalum oxynitride (BaTaO2N). This material has been chosen due to its relevance for capacitive and photoactive applications. However, the material presents processing challenges such as the emergence of non-stoichiometric phases during processing, demonstrating complex processing-property correlations. This makes MD investigations of this material both scientifically and technologically relevant. The BV based hybrid potential presented here has been used for simulating sintering of BaTaO2N nanoparticles ( 2-20 nm) under different conditions (using the relevant canonical ensemble). Notably, we show that sintering of particles of diameter 10 nm in size results in the formation of a cluster of tantalum and oxygen atoms at the interface of the BaTaO2N particles. This is in agreement with the experimental reports. The results presented here suggest that the potential proposed can be used to explore dynamical properties of BaTaO2N and related systems. This work will also open avenues for development of nanoscience-enabled aid-free sintering approaches to this and related materials.

Role of interatomic bonding in the mechanical anisotropy and interlayer cohesion of CSH crystals

Energy Technology Data Exchange (ETDEWEB)

Dharmawardhana, C.C. [Department of Physics and Astronomy, University of Missouri—Kansas City, Kansas City, MO 64110 (United States); Misra, A. [Department of Civil, Environmental, and Architectural Engineering, University of Kansas, Lawrence, KS 66045 (United States); Aryal, S.; Rulis, P. [Department of Physics and Astronomy, University of Missouri—Kansas City, Kansas City, MO 64110 (United States); Ching, W.Y., E-mail: ccdxz8@mail.umkc.edu [Department of Physics and Astronomy, University of Missouri—Kansas City, Kansas City, MO 64110 (United States)

2013-10-15

Atomic scale properties of calcium silicate hydrate (CSH), the main binding phase of hardened Portland cement, are not well understood. Over a century of intense research has identified almost 50 different crystalline CSH minerals which are mainly categorized by their Ca/Si ratio. The electronic structure and interatomic bonding in four major CSH crystalline phases with structures close to those found in hardened cement are investigated via ab initio methods. Our result reveals the critical role of hydrogen bonding and importance of specifying precise locations for water molecules. Quantitative analysis of contributions from different bond types to the overall cohesion shows that while the Si-O covalent bonds dominate, the hydrogen bonding and Ca-O bonding are also very significant. Calculated results reveal the correlation between bond topology and interlayer cohesion. The overall bond order density (BOD) is found to be a more critical measure than the Ca/Si ratio in classifying different CSH crystals.

Low-order moment expansions to tight binding for interatomic potentials: Successes and failures

International Nuclear Information System (INIS)

Kress, J.D.; Voter, A.F.

1995-01-01

We discuss the use of moment-based approximations to tight binding. Using a maximum entropy form for the electronic density of states, we show that a general interatomic potential can be defined that is suitable for molecular-dynamics simulations and has several other desirable features. For covalent materials (C and Si), properties where the atoms are in equivalent environments are well converged at low-order moments. For defect environments, which offer a more critical (and relevant) test, the method is found to give less satisfactory results. For example, the vacancy formation energy for Si is too low by ∼2 eV at 10 moments relative to exact tight binding. Attempts to improve the accuracy were unsuccessful, leading to the conclusion that potentials based on this approach are inadequate for covalent materials. We speculate that this may be a deficiency of low-order moment methods in general. For metals, in contrast to the covalent systems, we find that the low-order moment approach is better behaved. This finding is consistent with the success of existing empirical fourth-moment potentials for metals

Interatomic Coulombic decay following the Auger decay: Experimental evidence in rare-gas dimers

International Nuclear Information System (INIS)

Ueda, K.; Fukuzawa, H.; Liu, X.-J.; Sakai, K.; Pruemper, G.; Morishita, Y.; Saito, N.; Suzuki, I.H.; Nagaya, K.; Iwayama, H.; Yao, M.; Kreidi, K.; Schoeffler, M.; Jahnke, T.; Schoessler, S.; Doerner, R.; Weber, Th.; Harries, J.; Tamenori, Y.

2008-01-01

Interatomic Coulombic decay (ICD) in Ar 2 , ArKr and Kr 2 following Ar 2p or Kr 3d Auger decay has been investigated by means of momentum-resolved electron-ion-ion coincidence spectroscopy. This sequential decay leads to Coulombic dissociation into dication and monocation. Simultaneously determining the kinetic energy of the ICD electron and the kinetic energy release between the two atomic ions, we have been able to unambiguously identify the ICD channels. We find that, in general, spin-conserved ICD, in which the singlet (triplet) dicationic state produced via the atomic Auger decay preferentially decays to the singlet (triplet) state, transferring the energy to the other atom, is faster than spin-flip ICD, in which the Auger final singlet (triplet) dicationic state decays to the triplet (singlet) state. However, spin-flip ICD may take place when spin-conserved ICD becomes energetically forbidden. Dipole-forbidden ICDs from Kr 2+ (4s -21 S)-B (B = Ar or Kr) to Kr 2+ (4p -21 D, 3 P)-B + are also observed

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.

Assessment of structures and stabilities of defect clusters and surface energies predicted by nine interatomic potentials for UO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Taller, Stephen A. [School of Nuclear Engineering, Purdue University, West Lafayette, IN 47907 (United States); Bai, Xian-Ming, E-mail: xianming.bai@inl.gov [Fuels Modeling and Simulation Department, Idaho National Laboratory, Idaho Falls, ID 83415 (United States)

2013-11-15

The irradiation in nuclear reactors creates many point defects and defect clusters in uranium dioxide (UO{sub 2}) and their evolution severely degrades the thermal and mechanical properties of the nuclear fuels. Previously many empirical interatomic potentials have been developed for modeling defect production and evolution in UO{sub 2}. However, the properties of defect clusters and extended defects are usually not fitted into these potentials. In this work nine interatomic potentials for UO{sub 2} are examined by using molecular statics and molecular dynamics to assess their applicability in predicting the properties of various types of defect clusters in UO{sub 2}. The binding energies and structures for these defect clusters have been evaluated for each potential. In addition, the surface energies of voids of different radii and (1 1 0) flat surfaces predicted by these potentials are also evaluated. It is found that both good agreement and significant discrepancies exist for these potentials in predicting these properties. For oxygen interstitial clusters, these potentials predict significantly different defect cluster structures and stabilities; For defect clusters consisting of both uranium and oxygen defects, the prediction is in better agreement; The surface energies predicted by these potentials have significant discrepancies, and some of them are much higher than the experimentally measured values. The results from this work can provide insight on interpreting the outcome of atomistic modeling of defect production using these potentials and may provide guidelines for choosing appropriate potential models to study problems of interest in UO{sub 2}.

An interatomic potential model for molecular dynamics simulation of silicon etching by Br+-containing plasmas

International Nuclear Information System (INIS)

Ohta, H.; Iwakawa, A.; Eriguchi, K.; Ono, K.

2008-01-01

An interatomic potential model for Si-Br systems has been developed for performing classical molecular dynamics (MD) simulations. This model enables us to simulate atomic-scale reaction dynamics during Si etching processes by Br + -containing plasmas such as HBr and Br 2 plasmas, which are frequently utilized in state-of-the-art techniques for the fabrication of semiconductor devices. Our potential form is based on the well-known Stillinger-Weber potential function, and the model parameters were systematically determined from a database of potential energies obtained from ab initio quantum-chemical calculations using GAUSSIAN03. For parameter fitting, we propose an improved linear scheme that does not require any complicated nonlinear fitting as that in previous studies [H. Ohta and S. Hamaguchi, J. Chem. Phys. 115, 6679 (2001)]. In this paper, we present the potential derivation and simulation results of bombardment of a Si(100) surface using a monoenergetic Br + beam

On the doubly ionized states of Ar2 and their intra- and interatomic decay to Ar23+

International Nuclear Information System (INIS)

Stoychev, Spas D.; Kuleff, Alexander I.; Tarantelli, Francesco; Cederbaum, Lorenz S.

2008-01-01

Potential energy curves of the Auger state Ar + (2p -1 )-Ar, the different one- and two-site dicationic states Ar 2 ++ (with energies in the range of 32-77 eV), and the lowest two-site tricationic states Ar ++ -Ar + (with energies in the range of 64-76 eV) computed using elaborated ab initio methods are reported. The accessible relaxation channels of the electronic states of Ar ++ -Ar populated by Auger decay are studied. In particular, we study in detail the interatomic Coulombic decay following the population of one-site satellite states of Ar ++ (3s -1 3p -1 )-Ar recently observed experimentally. Other relaxation pathways of Ar ++ -Ar, including radiative charge transfer, nuclear dynamics through curve crossing, and intra-atomic decay processes are also investigated

Interatomic potentials from rainbow scattering of keV noble gas atoms under axial surface channeling

International Nuclear Information System (INIS)

Schueller, A.; Wethekam, S.; Mertens, A.; Maass, K.; Winter, H.; Gaertner, K.

2005-01-01

For grazing scattering of keV Ne and Ar atoms from a Ag(1 1 1) and a Cu(1 1 1) surface under axial surface channeling conditions we observe well defined peaks in the angular distributions for scattered projectiles. These peaks can be attributed to 'rainbow-scattering' and are closely related to the geometry of potential energy surfaces which can be approximated by the superposition of continuum potentials along strings of atoms in the surface plane. The dependence of rainbow angles on the scattering geometry provides stringent tests on the scattering potentials. From classical trajectory calculations based on universal (ZBL), adjusted Moliere (O'Connor and Biersack), and individual interatomic potentials we obtain corresponding rainbow angles for comparison with the experimental data. We find good overall agreement with the experiments for a description of trajectories based on adjusted Moliere and individual potentials, whereas the agreement is poorer for potentials with ZBL screening

Collective excitation frequencies and vortices of a Bose-Einstein condensed state with gravitylike interatomic attraction

International Nuclear Information System (INIS)

Ghosh, Tarun Kanti

2002-01-01

We study the collective excitations of a neutral atomic Bose-Einstein condensate with gravitylike 1/r interatomic attraction induced by an electromagnetic wave. Using the time-dependent variational approach, we derive an analytical spectrum for monopole and quadrupole mode frequencies of a gravitylike self-bound Bose condensed state at zero temperature. We also analyze the excitation frequencies of the Thomas-Fermi-gravity (TF-G) and gravity (G) regimes. Our result agrees excellently with that of Giovanazzi et al. [Europhysics Lett., 56, 1 (2001)], which is obtained within the sum-rule approach. We also consider the vortex state. We estimate the superfluid coherence length and the critical angular frequencies to create a vortex around the z axis. We find that the TF-G regime can exhibit the superfluid properties more prominently than the G regime. We find that the monopole mode frequency of the condensate decreases due to the presence of a vortex

Physical Realization of von Neumann Lattices in Rotating Bose Gases with Dipole Interatomic Interactions.

Science.gov (United States)

Cheng, Szu-Cheng; Jheng, Shih-Da

2016-08-22

This paper reports a novel type of vortex lattice, referred to as a bubble crystal, which was discovered in rapidly rotating Bose gases with long-range interactions. Bubble crystals differ from vortex lattices which possess a single quantum flux per unit cell, while atoms in bubble crystals are clustered periodically and surrounded by vortices. No existing model is able to describe the vortex structure of bubble crystals; however, we identified a mathematical lattice, which is a subset of coherent states and exists periodically in the physical space. This lattice is called a von Neumann lattice, and when it possesses a single vortex per unit cell, it presents the same geometrical structure as an Abrikosov lattice. In this report, we extend the von Neumann lattice to one with an integral number of flux quanta per unit cell and demonstrate that von Neumann lattices well reproduce the translational properties of bubble crystals. Numerical simulations confirm that, as a generalized vortex, a von Neumann lattice can be physically realized using vortex lattices in rapidly rotating Bose gases with dipole interatomic interactions.

Effect of a core-softened O-O interatomic interaction on the shock compression of fused silica

Science.gov (United States)

Izvekov, Sergei; Weingarten, N. Scott; Byrd, Edward F. C.

2018-03-01

Isotropic soft-core potentials have attracted considerable attention due to their ability to reproduce thermodynamic, dynamic, and structural anomalies observed in tetrahedral network-forming compounds such as water and silica. The aim of the present work is to assess the relevance of effective core-softening pertinent to the oxygen-oxygen interaction in silica to the thermodynamics and phase change mechanisms that occur in shock compressed fused silica. We utilize the MD simulation method with a recently published numerical interatomic potential derived from an ab initio MD simulation of liquid silica via force-matching. The resulting potential indicates an effective shoulder-like core-softening of the oxygen-oxygen repulsion. To better understand the role of the core-softening we analyze two derivative force-matching potentials in which the soft-core is replaced with a repulsive core either in the three-body potential term or in all the potential terms. Our analysis is further augmented by a comparison with several popular empirical models for silica that lack an explicit core-softening. The first outstanding feature of shock compressed glass reproduced with the soft-core models but not with the other models is that the shock compression values at pressures above 20 GPa are larger than those observed under hydrostatic compression (an anomalous shock Hugoniot densification). Our calculations indicate the occurrence of a phase transformation along the shock Hugoniot that we link to the O-O repulsion core-softening. The phase transformation is associated with a Hugoniot temperature reversal similar to that observed experimentally. With the soft-core models, the phase change is an isostructural transformation between amorphous polymorphs with no associated melting event. We further examine the nature of the structural transformation by comparing it to the Hugoniot calculations for stishovite. For stishovite, the Hugoniot exhibits temperature reversal and associated

Evaluation of interatomic potentials for noble gas atoms from rainbow scattering under axial channeling at Ag(1 1 1) surface by computer simulations based on binary collision approximation

Energy Technology Data Exchange (ETDEWEB)

Takeuchi, Wataru, E-mail: take@sp.ous.ac.jp

2016-01-01

The rainbow angles corresponding to pronounced peaks in the angular distributions of scattered projectiles with small angle, attributed to rainbow scattering (RS), under axial surface channeling conditions are strongly dependent on the interatomic potentials between projectiles and target atoms. The dependence of rainbow angles on normal energy of projectile energy to the target surface that has been experimentally obtained by Schüller and Winter (SW) (2007) for RS of He, Ne and Ar atoms from a Ag(1 1 1) surface with projectile energies of 3–60 keV was evaluated by the three-dimensional computer simulations using the ACOCT code based on the binary collision approximation with interatomic pair potentials. Consequently, the ACOCT results employing the Moliere pair potential with screening length correction close to adjustable one of O’Connor and Biersack (OB) formula are almost in agreement with the experimental ones, being self-consistent with the SW’s ones analyzed by computer simulations of classical trajectory calculations as RS from corrugated equipotential planes based on continuum potentials including the Moliere pair potential with screening length correction of the OB formula.

A force-matching Stillinger-Weber potential for MoS2: Parameterization and Fisher information theory based sensitivity analysis

Science.gov (United States)

Wen, Mingjian; Shirodkar, Sharmila N.; Plecháč, Petr; Kaxiras, Efthimios; Elliott, Ryan S.; Tadmor, Ellad B.

2017-12-01

Two-dimensional molybdenum disulfide (MoS2) is a promising material for the next generation of switchable transistors and photodetectors. In order to perform large-scale molecular simulations of the mechanical and thermal behavior of MoS2-based devices, an accurate interatomic potential is required. To this end, we have developed a Stillinger-Weber potential for monolayer MoS2. The potential parameters are optimized to reproduce the geometry (bond lengths and bond angles) of MoS2 in its equilibrium state and to match as closely as possible the forces acting on the atoms along a dynamical trajectory obtained from ab initio molecular dynamics. Verification calculations indicate that the new potential accurately predicts important material properties including the strain dependence of the cohesive energy, the elastic constants, and the linear thermal expansion coefficient. The uncertainty in the potential parameters is determined using a Fisher information theory analysis. It is found that the parameters are fully identified, and none are redundant. In addition, the Fisher information matrix provides uncertainty bounds for predictions of the potential for new properties. As an example, bounds on the average vibrational thickness of a MoS2 monolayer at finite temperature are computed and found to be consistent with the results from a molecular dynamics simulation. The new potential is available through the OpenKIM interatomic potential repository at https://openkim.org/cite/MO_201919462778_000.

Crystal field and magnetocrystalline anisotropy in various crystalline systems

International Nuclear Information System (INIS)

Adam, S.A.

1983-01-01

Systematic derivation of the one-perticle crystal field Hamiltonians is given for all possible site symmetries in crystals. Distinct parametrizations are found to occur for the eleven Laue-symmetry groups. The functional dependence of the Hamiltonian on the choice of the coordinate axes is also investigated. A general method is developed for the derivation of the one-particle crYstal field potential characteristic of a given crystallographic symmetry, for arbitrary effective interatomic forces. Calculations performed for cubic and hexagonal structures lead to the standard representations in spherical harmonics with the coefficients given, however, by power series of rsup(n) rather than by simgle rsup(n) terms as obtained within the usual hypothesis of Coulombian interatomic forces. This result has implications on the interpretation of some theoretical and experimental data. Theoretical results are obtained for the crystal field coefficients which enable us to develop an approach to the use of the crystal field data for the derivation of information on the effective interatomic forces in crystals. The method is applied to the magnetic Sm 3+ ion in SmCo 5 , and it is shown to provide valuable results both for the effective interatomic potential and for the consistency of various sets of crystal field parameters previously proposed in the literature. Maqnetocrystalline anisotropy of the rare-earth intermetallic compounds are discussed. Single-ion anisotropy model is used for SmCo 5 and the theoreticalpr predictions are compared with the experimental data. (author)

Theoretical Aspects of Phonon Dispersion Curves for Metals

International Nuclear Information System (INIS)

Cochran, W.

1965-01-01

Reasonably complete knowledge of the phonon dispersion curves for at least a dozen metallic elements and intermetallic compounds has now been obtained from neutron inelastic scattering experiments. The results have one feature in common: when analysed in terms of interatomic force constants they reveal the presence of comparatively long-range forces extending over several atomic spacings. The results for lead are particularly interesting; it did not prove possible to fit them by a force-constant model, but the dispersion curves for wave vectors in symmetry directions when analysed in terms of force constants between planes of atoms showed an oscillatory interatomic potential extending over distances of more than 20Å. This review is concerned with recent theoretical work which has a bearing on the calculation of phonon dispersion curves for metals and the explanation of the long range of the interatomic potential. The best hope at present for a general treatment of atomic interaction in metals appears to lie in the ''method of neutral pseudo-atoms'', (a description recently coined by Ziman). This approximate theory is outlined and its relevance to Kohn anomalies in phonon dispersion curves is discussed. Experimental data for sodium is consistent with the theory, and the interatomic potential in sodium varies periodically in a distance π/k F , where fik F is the Fermi momentum, as has already been demonstrated by Koenig in a different way. More exact calculations have been made for sodium by Toya and by Sham. The relationship between the different methods and other work of a more general character such as that of Harrison are discussed. (author) [fr

Evaluation of interatomic potentials for rainbow scattering under axial channeling at KCl(0 0 1) surface by three-dimensional computer simulations based on binary collision approximation

Energy Technology Data Exchange (ETDEWEB)

Takeuchi, Wataru, E-mail: take@sp.ous.ac.jp

2017-05-01

The rainbow angles corresponding to prominent peaks in the angular distributions of scattered projectiles with small angle, attributed to rainbow scattering (RS), under axial surface channeling conditions are strongly influenced by the interatomic potentials between projectiles and target atoms. The dependence of rainbow angles on normal energy of projectile energy to the target surface, being experimentally obtained by Specht et al. for RS of He, N, Ne and Ar atoms under 〈1 0 0〉 and 〈1 1 0〉 axial channeling conditions at a KCl(0 0 1) surface with projectile energies of 1–60 keV, was evaluated by the three-dimensional computer simulations using the ACOCT code based on the binary collision approximation with interatomic pair potentials. Good agreement between the ACOCT results using the ZBL pair potential and the individual pair potentials calculated from Hartree-Fock (HF) wave functions and the experimental ones was found for RS of He, N and Ne atoms from the atomic rows along 〈1 0 0〉 direction. For 〈1 1 0〉 direction, the ACOCT results employing the Moliere pair potential with adjustable screening length of O’Connor-Biersack (OB) formula, the ZBL pair potential and the individual HF pair potentials except for Ar → KCl using the OB pair potential are nearly in agreement with the experimental ones.

Simple formalism for efficient derivatives and multi-determinant expansions in quantum Monte Carlo

Energy Technology Data Exchange (ETDEWEB)

Filippi, Claudia, E-mail: c.filippi@utwente.nl [MESA+ Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede (Netherlands); Assaraf, Roland, E-mail: assaraf@lct.jussieu.fr [Sorbonne Universités, UPMC Univ Paris 06, CNRS, Laboratoire de Chimie Théorique CC 137-4, place Jussieu F-75252 Paris Cedex 05 (France); Moroni, Saverio, E-mail: moroni@democritos.it [CNR-IOM DEMOCRITOS, Istituto Officina dei Materiali, and SISSA Scuola Internazionale Superiore di Studi Avanzati, Via Bonomea 265, I-34136 Trieste (Italy)

2016-05-21

We present a simple and general formalism to compute efficiently the derivatives of a multi-determinant Jastrow-Slater wave function, the local energy, the interatomic forces, and similar quantities needed in quantum Monte Carlo. Through a straightforward manipulation of matrices evaluated on the occupied and virtual orbitals, we obtain an efficiency equivalent to algorithmic differentiation in the computation of the interatomic forces and the optimization of the orbital parameters. Furthermore, for a large multi-determinant expansion, the significant computational gain afforded by a recently introduced table method is here extended to the local value of any one-body operator and to its derivatives, in both all-electron and pseudopotential calculations.

Anharmonic correlated Debye model high-order expanded interatomic effective potential and Debye-Waller factors of bcc crystals

Energy Technology Data Exchange (ETDEWEB)

Van Hung, Nguyen, E-mail: hungnv@vnu.edu.vn [Department of Physics, Hanoi University of Science, 334 Nguyen Trai, Thanh Xuan, Hanoi (Viet Nam); Hue, Trinh Thi [Department of Physics, Hanoi University of Science, 334 Nguyen Trai, Thanh Xuan, Hanoi (Viet Nam); Khoa, Ha Dang [School of Engineering Physics, Hanoi University of Science and Technology, 1 Dai Co Viet, Hanoi (Viet Nam); Vuong, Dinh Quoc [Quang Ninh Education & Training Department, Nguyen Van Cu, Ha Long, Quang Ninh (Viet Nam)

2016-12-15

High-order expanded interatomic effective potential and Debye-Waller factors (DWFs) for local vibrational amplitudes in X-ray absorption fine structure (XAFS) of bcc crystals have been studied based on the anharmonic correlated Debye model. DWFs are presented in terms of cumulant expansion up to the fourth order and the many-body effects are taken into account in the present one-dimensional model based on the first shell near neighbor contribution approach used in the derivations of the anharmonic effective potential and XAFS cumulants where Morse potential is assumed to describe the single-pair atomic interaction. Analytical expressions for the dispersion relation, correlated Debye frequency and temperature and four first temperature-dependent XAFS cumulants have been derived based on the many-body perturbation approach. Thermodynamic properties and anharmonic effects in XAFS of bcc crystals described by the obtained cumulants have been in detail discussed. The advantage and efficiency of the present theory are illustrated by good agreement of the numerical results for Mo, Fe and W with experiment.

Bondability of processed glass wafers

NARCIS (Netherlands)

Pandraud, G.; Gui, C.; Lambeck, Paul; Pigeon, F.; Parriaux, O.; Gorecki, Christophe

1999-01-01

The mechanism of direct bonding at room temperature has been attributed to the short range inter-molecular and inter-atomic attraction forces, such as Van der Waals forces. Consequently, the wafer surface smoothness becomes one of the most critical parameters in this process. High surface roughness

Statistical mechanics of elasticity

CERN Document Server

Weiner, JH

2012-01-01

Advanced, self-contained treatment illustrates general principles and elastic behavior of solids. Topics include thermoelastic behavior of crystalline and polymeric solids, interatomic force laws, behavior of solids, and thermally activated processes. 1983 edition.

Orientation-dependent crystal instability of gamma-TiAl in nanoindentation investigated by a multiscale interatomic potential finite-element model

International Nuclear Information System (INIS)

Xiong, Kai; Liu, Xiaohui; Gu, Jianfeng

2014-01-01

The anisotropic mechanical behavior of γ-TiAl alloys has been observed and repeatedly reported, but the effect of crystallographic orientations on the crystal instability of γ-TiAl is still unclear. In this paper, the orientation-dependent crystal instability of γ-TiAl single crystals was investigated by performing nanoindentation on different crystal surfaces. All the nanoindentations are simulated using an interatomic potential finite-element model (IPFEM). Simulation results show that the load–displacement curves, critical indentation depth and critical load for crystal instability as well as indentation modulus, are all associated with surface orientations. The active slip systems and the location of crystal instability in five typical nanoindentations are analyzed in detail, i.e. the (0 0 1), (1 0 0), (1 0 1), (1 1 0) and (1 1 1) crystal surfaces. The predicted crystal instability sites and the activated slipping systems in the IPFEM simulations are in good agreement with the dislocation nucleation in molecular dynamics simulations. (paper)

Neutron beam studies

International Nuclear Information System (INIS)

Willis, B.T.M.; Apps, M.E.

1979-01-01

The report is in sections, entitled: metallurgy; reactor fuels; defect solid state and interatomic forces; surface studies; colloid, polymer and biological studies; glasses; energy-related materials; solid state physics and crystallography; instrumentation and experimental technique. (U.K.)

Computational modelling in materials at the University of the North

CSIR Research Space (South Africa)

Ngoepe, PE

2005-09-01

Full Text Available and transition metal sulphides have also been carried out. In particular, new robust interatomic force fields have been derived, thereby enabling bulk and surface atomistic simulations of large systems including ilmenite, apatite and electrolytic manganese...

Interatomic interaction effects on second-order momentum correlations and Hong-Ou-Mandel interference of double-well-trapped ultracold fermionic atoms

Science.gov (United States)

Brandt, Benedikt B.; Yannouleas, Constantine; Landman, Uzi

2018-05-01

Identification and understanding of the evolution of interference patterns in two-particle momentum correlations as a function of the strength of interatomic interactions are important in explorations of the nature of quantum states of trapped particles. Together with the analysis of two-particle spatial correlations, they offer the prospect of uncovering fundamental symmetries and structure of correlated many-body states, as well as opening vistas into potential control and utilization of correlated quantum states as quantum-information resources. With the use of the second-order density matrix constructed via exact diagonalization of the microscopic Hamiltonian, and an analytic Hubbard-type model, we explore here the systematic evolution of characteristic interference patterns in the two-body momentum and spatial correlation maps of two entangled ultracold fermionic atoms in a double well, for the entire attractive- and repulsive-interaction range. We uncover quantum-statistics-governed bunching and antibunching, as well as interaction-dependent interference patterns, in the ground and excited states, and interpret our results in light of the Hong-Ou-Mandel interference physics, widely exploited in photon indistinguishability testing and quantum-information science.

Simple formalism for efficient derivatives and multi-determinant expansions in quantum Monte Carlo

NARCIS (Netherlands)

Filippi, Claudia; Assaraf, R.; Moroni, S.

2016-01-01

We present a simple and general formalism to compute efficiently the derivatives of a multi-determinant Jastrow-Slater wave function, the local energy, the interatomic forces, and similar quantities needed in quantum Monte Carlo. Through a straightforward manipulation of matrices evaluated on the

Elastic properties of Na2 O–ZnO–ZnF2 –B2 O3 oxyfluoride glasses

Indian Academy of Sciences (India)

Administrator

Elastic properties of borate glasses through ultrasound velocity measurements is one of the important techniques to elucidate the structure of glasses, since their properties have direct bearing on the bonding and interatomic forces. Sound velocity measurement at ultrasonic fre- quencies is used to determine the mechanical ...

Crystal-fields at rare-earth sites in R2Fe14B compounds

International Nuclear Information System (INIS)

Adam, S.; Adam, G.; Burzo, E.

1985-12-01

Crystal-field effects are expected to be important in R 2 Fe 14 B compounds. Within a model-independent approach, it is proved that four distinct rare-earth sites exist with respect to the crystalline electric fields, namely, R(4f; z=0), R(4f; z=0.5 c), R(4g; z=0), and R(4g; z=0.5 c), and relationships are established between the corresponding crystal-fields coefficients. Further, generalized Stevens parametrizations of the crystal field coefficients are derived at three levels of approximation for the interatomic forces inside the crystal. A crystal lattice dressing effect upon the radial electronic integrals is found to occur, the magnitude of which depends on the deviation of the interatomic forces from Coulombian. Finally, computation of crystal-field coefficients in Nd 2 Fe 14 B leads to results which raise questions about the validity of the simple Coulomb point-charge model. (author)

Numerical investigation of elastic mechanical properties of graphene structures

International Nuclear Information System (INIS)

Georgantzinos, S.K.; Giannopoulos, G.I.; Anifantis, N.K.

2010-01-01

The computation of the elastic mechanical properties of graphene sheets, nanoribbons and graphite flakes using spring based finite element models is the aim of this paper. Interatomic bonded interactions as well as van der Waals forces between carbon atoms are simulated via the use of appropriate spring elements expressing corresponding potential energies provided by molecular theory. Each layer is idealized as a spring-like structure with carbon atoms represented by nodes while interatomic forces are simulated by translational and torsional springs with linear behavior. The non-bonded van der Waals interactions among atoms which are responsible for keeping the graphene layers together are simulated with the Lennard-Jones potential using appropriate spring elements. Numerical results concerning the Young's modulus, shear modulus and Poisson's ratio for graphene structures are derived in terms of their chilarity, width, length and number of layers. The numerical results from finite element simulations show good agreement with existing numerical values in the open literature.

Reactive force field simulation of proton diffusion in BaZrO{sub 3} using an empirical valence bond approach

Energy Technology Data Exchange (ETDEWEB)

Raiteri, Paolo; Gale, Julian D [Nanochemistry Research Institute, Department of Chemistry, Curtin University, GPO Box 1987, Perth, WA 6845 (Australia); Bussi, Giovanni, E-mail: paolo@ivec.org, E-mail: julian@ivec.org [Scuola Internazionale Superiore di Studi Avanzati (SISSA), Via Bonomea 265, 34136 Trieste (Italy)

2011-08-24

A new reactive force field to describe proton diffusion within the solid oxide fuel cell material BaZrO{sub 3} has been derived. Using a quantum mechanical potential energy surface, the parameters of an interatomic potential model to describe hydroxyl groups within both pure and yttrium-doped BaZrO{sub 3} have been determined. Reactivity is then incorporated through the use of the empirical valence bond model. Molecular dynamics simulations (EVB-MD) have been performed to explore the diffusion of hydrogen using a stochastic thermostat and barostat whose equations are extended to the isostress-isothermal ensemble. In the low concentration limit, the presence of yttrium is found not to significantly influence the diffusivity of hydrogen, despite the proton having a longer residence time at oxygen adjacent to the dopant. This lack of influence is due to the fact that trapping occurs infrequently, even when the proton diffuses through octahedra adjacent to the dopant. The activation energy for diffusion is found to be 0.42 eV, in good agreement with experimental values, though the prefactor is slightly underestimated.

Determination of elastic modulus in nickel alloy from ultrasonic ...

Indian Academy of Sciences (India)

als scientists, and solid-state theorists; they connect to tech- nological, structural economics and safety, to various mate- rials phenomena and to their fundamental interatomic forces. (Ledbetter 1983). In any material which is a multiphase alloy, the elastic modulus is determined by the modulus of the indi- vidual phases and ...

Determination of the interatomic potential from elastic differential cross sections at fixed energy: Functional sensitivity analysis approach

International Nuclear Information System (INIS)

Ho, T.; Rabitz, H.

1989-01-01

Elastic differential cross sections in atomic crossed beam experiments contain detailed information about the underlying interatomic potentials. The functional sensitivity density of the cross sections with respect to the potential δσ(θ)/δV(R) reveals such information and has been implemented in an iterative inversion procedure, analogous to that of the Newton--Raphson technique. The stability of the inversion is achieved with the use of the regularization method of Tikhonov and Miller. It is shown that given a set of well resolved and noise-free differential cross section data within a limited angular range and given a reasonable starting reference potential, the recovered potential accurately resembles the desired one in the important region, i.e., the region to which the scattering data are sensitive. The region of importance depends upon the collision energy relative to the well depth of the potential under study; usually a higher collision energy penetrates deeper into the repulsive part of the potential and thus accordingly yields a more accurate potential in that part. The inversion procedure produces also a quality function indicating the well determined radial region. Moreover, the extracted potential is quite independent of the functional form of the reference potential in contrast to curve fitting approaches. As illustrations, the model inert gas systems He--Ne and Ne--Ar have been considered. For collision energies within an order of magnitude of the associated potential well depth, the attractive part of the potential can be determined to high precision provided that scattering data at small enough angles are available

Anomalous random correlations of force constants on the lattice dynamical properties of disordered Au-Fe alloys

Science.gov (United States)

Kangsabanik, Jiban; Chouhan, Rajiv K.; Johnson, D. D.; Alam, Aftab

2017-09-01

Gold iron (Au-Fe) alloys are of immense interest due to their biocompatibility, anomalous Hall conductivity, and applications in various medical treatments. However, irrespective of the method of preparation, they often exhibit a high level of disorder with properties sensitive to the thermal or magnetic annealing temperatures. We calculate the lattice dynamical properties of Au1 -xFex alloys using density functional theory methods where, being multisite properties, reliable interatomic force constant (IFC) calculations in disordered alloys remain a challenge. We follow a twofold approach: (1) an accurate IFC calculation in an environment with nominally zero chemical pair correlations to mimic the homogeneously disordered alloy and (2) a configurational averaging for the desired phonon properties (e.g., dispersion, density of states, and entropy). We find an anomalous change in the IFC's and phonon dispersion (split bands) near x =0.19 , which is attributed to the local stiffening of the Au-Au bonds when Au is in the vicinity of Fe. Other results based on mechanical and thermophysical properties reflect a similar anomaly: Phonon entropy, e.g., becomes negative below x =0.19 , suggesting a tendency for chemical unmixing, reflecting the onset of a miscibility gap in the phase diagram. Our results match fairly well with reported data wherever available.

Hydrogen effect on embrittlement of iron and steel

International Nuclear Information System (INIS)

Shved, M.M.

1981-01-01

Some existing hypothesis brittleness of metals are considered. The following explanation of reversible hydrogen brittleness is suggested: hydrogen presence in iron and steel brings about the increase in the critical shear stress and the yield stress at all stages of plastic deformation (hydrogen, blocking dislocations hinders plastic shears) and the decrease of rupture strength. Decreasing forces of interatomic interaction of the surface layer some scores interatomic distances thick, hydrogen decreases the resistance of normal stresses to its effect. Thus, whatever mechanism brings about the formation of the first cracks in the metal in the presence of absorbed hydrogen, they appear at lower outside applied stresses. In the framework of the model suggested one can explain experimentally observed changes of mechanical properties of iron and steel under hydrogen effect

Empirical potential for molecular simulation of graphene nanoplatelets

Science.gov (United States)

Bourque, Alexander J.; Rutledge, Gregory C.

2018-04-01

A new empirical potential for layered graphitic materials is reported. Interatomic interactions within a single graphene sheet are modeled using a Stillinger-Weber potential. Interatomic interactions between atoms in different sheets of graphene in the nanoplatelet are modeled using a Lennard-Jones interaction potential. The potential is validated by comparing molecular dynamics simulations of tensile deformation with the reported elastic constants for graphite. The graphite is found to fracture into graphene nanoplatelets when subjected to ˜15% tensile strain normal to the basal surface of the graphene stack, with an ultimate stress of 2.0 GPa and toughness of 0.33 GPa. This force field is useful to model molecular interactions in an important class of composite systems comprising 2D materials like graphene and multi-layer graphene nanoplatelets.

The KNK II/1 fuel assembly NY-205: Compilation of the irradiation history and the fuel and fuel pin fabrication data of the INTERATOM data bank system BESEX

International Nuclear Information System (INIS)

Patzer, G.; Geier, F.

1988-01-01

The fuel assembly NY-205 has been irradiated during the first and the second core of KNK II with a total residence time of 832 equivalent full-power days. A maximum burnup of 175.000 MWd/tHM or 18.6 % was reached with a maximum steel damage of 66 dpa-NRT. For the cladding the materials 1.4970 and 1.4981 have been used in different metallurgical conditions, and for the Uranium/Plutonium mixed- oxide fuel the most important variants of the major fabrication parameters had been realized. The assembly will be brought to the Hot Cells of the KfK Karlsruhe for post-irradiation examination in February 1988, so that the knowledge of the fabrication data is of interest for the selection of fuel pins and for the evaluation of the examination results. Therefore this report compiles the fuel and fuel pin fabrication data from the INTERATOM data bank system BESEX and additionally, an overview of the irradiation history of the assembly is given [de

Inelastic neutron scattering from synthetic and biological polymers

International Nuclear Information System (INIS)

White, J.W.

1976-01-01

Neutron elastic and inelastic scattering measurements have provided many unique insights into structure, and by reviewing progress on synthetics, important differences likely to arise in biological systems are identified and a direction for studies of the latter is suggested. By neutron inelastic scattering it is possible to measure the frequency of thermally excited interatomic and intermolecular vibrations in crystals. With perfect organic and inorganic crystals the technique is now classical and has given great insight into the crystal forces responsible for the observed structures as well as the phase transitions they undergo. The study of polymer crystals immediately presents two problems of disorder: (1) Macroscopic disorder arises because the sample is a mixture of amorphous and crystalline fractions, and it may be acute enough to inhibit growth of a single crystal large enough for neutron studies. (2) Microscopic disorder in the packing of polymer chains in the ''crystalline'' regions is indicated by broadening of Bragg peaks. Both types of disorder problem arise in biological systems. The methods by which they were partially overcome to allow neutron measurements with synthetic polymers are described but first a classical example of the determination of interatomic forces by inelastic neutron scattering is given

High strain rates spallation phenomena with relation to the equation of state

International Nuclear Information System (INIS)

Dekel, E.

1997-11-01

Theoretical spall strength, defined as the stress needed to separate a material along a plane surface instantaneously, is one order of magnitude larger then the measured spell strength at strain rates up to 10 6 s -1 . The discrepancy is explained by material initial flaws and cavities which grow and coalesce under stress and weaken the material. Measurements of spall strength of materials shocked by a high power laser shows a rapid increase in the spall strength with the strain rate at strain rates of about 10 7 s -1 . This indicates that the initial flaws does not have time to coalesce and the interatomic forces become dominant. In order to break the material more cavities must be created. This cavities are characterized by the interatomic forces and are created statistically: material under tensile stress is in a metastable condition and due to thermal fluctuations cavities are formed. Cavities larger than a certain critical size grow due to the stress. They grow until the material disintegrates at the spall plane. The theoretical results predict the increase in spall strength at high strain rates, as observed experimentally. (authors)

Chemically-induced liquid film migration with low lattice diffusivity relative to the migration rate in Mo-Ni-(W)

International Nuclear Information System (INIS)

Lee, K.R.

1992-01-01

This paper reports that when a 90Mo-10Ni alloy (by wt) liquid phase sintered at 1400 degrees C is heat-treated at 1400 degrees C after replacing the matrix with a melt of 44Ni-34Mo-22W (by wt), the liquid films between the grains migrate, leaving behind an Mo alloy enriched with W. The ratio of the lattice diffusivity of W in Mo, D, to the initial migration velocity, v. (D/v) is estimated to be between 0.03 and 0.18 angstrom. Hence it appears that there is no lattice diffusion of W ahead of the migrating liquid film, and is such a case the driving force has been suggested to be the chemical free energy. But the observed v is approximately same as that to be expected if the driving force is assumed to be diffusional coherency strain energy. Likewise, a previous study of den Broeder and Nakahara shows that the rate of chemically-induced grain boundary migration in Cu-Ni shows a smooth variation with temperature as D/v decreases from values much larger than the interatomic spacing to values much smaller with decreasing temperature. The coherency strain energy thus appears to be a general driving force for the migration even when the apparent diffusion length indicated by D/v is smaller than the interatomic spacing

Intra- and inter-atomic optical transitions of Fe, Co, and Ni ferrocyanides studied using first-principles many-electron calculations

Energy Technology Data Exchange (ETDEWEB)

Watanabe, Shinta, E-mail: s-watanabe@nucl.nagoya-u.ac.jp, E-mail: j-onoe@nucl.nagoya-u.ac.jp; Sawada, Yuki; Nakaya, Masato; Yoshino, Masahito; Nagasaki, Takanori; Onoe, Jun, E-mail: s-watanabe@nucl.nagoya-u.ac.jp, E-mail: j-onoe@nucl.nagoya-u.ac.jp [Department of Materials, Physics and Energy Engineering, Graduated School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8603 (Japan); Kameyama, Tatsuya; Torimoto, Tsukasa [Department of Crystalline Materials Science, Graduated School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8603 (Japan); Inaba, Yusuke; Takahashi, Hideharu; Takeshita, Kenji [Research Laboratory for Nuclear Reactors, Tokyo Institute of Technology, 2-12-1-N1-16 O-okayama, Meguro-ku, Tokyo 152-8550 (Japan)

2016-06-21

We have investigated the electronic structures and optical properties of Fe, Co, and Ni ferrocyanide nanoparticles using first-principles relativistic many-electron calculations. The overall features of the theoretical absorption spectra for Fe, Ni, and Co ferrocyanides calculated using a first-principles many-electron method well reproduced the experimental one. The origins of the experimental absorption spectra were clarified by performing a configuration analysis based on the many-electron wave functions. For Fe ferrocyanide, the experimental absorption peaks originated from not only the charge-transfer transitions from Fe{sup 2+} to Fe{sup 3+} but also the 3d-3d intra-transitions of Fe{sup 3+} ions. In addition, the spin crossover transition of Fe{sup 3+} predicted by the many-electron calculations was about 0.24 eV. For Co ferrocyanide, the experimental absorption peaks were mainly attributed to the 3d-3d intra-transitions of Fe{sup 2+} ions. In contrast to the Fe and Co ferrocyanides, Ni ferrocyanide showed that the absorption peaks originated from the 3d-3d intra-transitions of Ni{sup 3+} ions in a low-energy region, while from both the 3d-3d intra-transitions of Fe{sup 2+} ions and the charge-transfer transitions from Fe{sup 2+} to Ni{sup 3+} in a high-energy region. These results were quite different from those of density-functional theory (DFT) calculations. The discrepancy between the results of DFT calculations and those of many-electron calculations suggested that the intra- and inter-atomic transitions of transition metal ions are significantly affected by the many-body effects of strongly correlated 3d electrons.

On the mechanism of formation of the Efimov states in the helium 4He trimer

International Nuclear Information System (INIS)

Kolganova, E.A.; Motovilov, A.K.

1998-01-01

A mechanism of disappearance and formation of the Efimov levels of the helium 4 He 3 trimer is studied when the force of interatomic interaction is changed. It is shown that these levels arise from virtual levels which are in turn formed from (quasi)resonances settled on the real axis. The resonances including virtual levels are calculated by the method based on the solution of the boundary value problem, at complex energies, for the Faddeev differential equations describing the scattering processes (2 + 1 → 2 + 1; 1 + 1 + 1). All the calculations are performed with the known interatomic Aziz He-He-potential HFD-B. A very strong repulsive component of this potential at short distances between helium atoms is approximated by a hard core. A special attention is paid to the substantiation of the method used for computing resonances and to the investigation of its applicability range

Corrected direct force balance method for atomic force microscopy lateral force calibration

International Nuclear Information System (INIS)

Asay, David B.; Hsiao, Erik; Kim, Seong H.

2009-01-01

This paper reports corrections and improvements of the previously reported direct force balance method (DFBM) developed for lateral calibration of atomic force microscopy. The DFBM method employs the lateral force signal obtained during a force-distance measurement on a sloped surface and relates this signal to the applied load and the slope of the surface to determine the lateral calibration factor. In the original publication [Rev. Sci. Instrum. 77, 043903 (2006)], the tip-substrate contact was assumed to be pinned at the point of contact, i.e., no slip along the slope. In control experiments, the tip was found to slide along the slope during force-distance curve measurement. This paper presents the correct force balance for lateral force calibration.

Research directed at developing a classical theory to describe isotope separation of polyatomic molecules illuminated by intense infrared radiation. Final report, May 7-September 30, 1979, extension December 31, 1979

International Nuclear Information System (INIS)

Lamb, W.E. Jr.

1981-12-01

This final report describes research on the theory of isotope separation produced by the illumination of polyatomic molecules by intense infrared laser radiation. This process is investigated by treating the molecule, sulfur hexafluoride, as a system of seven classical particles that obey the Newtonian equations of motion. A minicomputer is used to integrate these differential equations. The particles are acted on by interatomic forces, and by the time-dependent electric field of the laser. We have a very satisfactory expression for the interaction of the laser and the molecule which is compatible with infrared absorption and spectroscopic data. The interatomic potential is capable of improvement, and progress on this problem is still being made. We have made several computer runs of the dynamical behavior of the molecule using a reasonably good model for the interatomic force law. For the laser parameters chosen, we find that typically the molecule passes quickly through the resonance region into the quasi-continuum and even well into the real continuum before dissociation actually occurs. When viewed on a display terminal, the motions are exceedingly complex. As an aid to the visualization of the process, we have made a number of 16 mm movies depicting a three-dimensional representation of the motion of the seven particles. These show even more clearly the enormous complexity of the motions, and make clear the desirability of finding ways of characterizing the motion in simple ways without giving all of the numerical detail. One of the ways to do this is to introduce statistical parameters such as a temperature associated with the distribution of kinetic energies of the single particle. We have made such an analysis of our data runs, and have found favorable indications that such methods will prove useful in keeping track of the dynamical histories

Research directed at developing a classical theory to describe isotope separation of polyatomic molecules illuminated by intense infrared radiation. Final report, May 7-September 30, 1979

International Nuclear Information System (INIS)

Lamb, W.E. Jr.

1981-12-01

This final report describes research on the theory of isotope separation produced by the illumination of polyatomic molecules by intense infrared laser radiation. This process is investigated by treating the molecule, sulfur hexafluoride, as a system of seven classical particles that obey the Newtonian equations of motion. A minicomputer is used to integrate these differential equations. The particles are acted on by interatomic forces, and by the time-dependent electric field of the laser. We have a very satisfactory expression for the interaction of the laser and the molecule which is compatible with infrared absorption and spectroscopic data. The interatomic potential is capable of improvement, and progress on this problem is still being made. We have made several computer runs of the dynamical behavior of the molecule using a reasonably good model for the interatomic force law. For the laser parameters chosen, we find that typically the molecule passes quickly through the resonance region into the quasi-continuum and even well into the real continuum before dissociation actually occurs. When viewed on a display terminal, the motions are exceedingly complex. As an aid to the visualization of the process, we have made a number of 16 mm movies depicting a three-dimensional representation of the motion of the seven particles. These show even more clearly the enormous complexity of the motions, and make clear the desirability of finding ways of characterizing the motion in simple ways without giving all of the numerical detail. One of the ways to do this is to introduce statistical parameters such as a temperature associated with the distribution of kinetic energies of the single particle. We have made such an analysis of our data runs, and have found favorable indications that such methods will prove useful in keeping track of the dynamical histories

Research Directed at Developing a Classical Theory to Describe Isotope Separation of Polyatomic Molecules Illuminated by Intense Infrared Radiation. Final Report for period May 7, 1979 to September 30, 1979; Extension December 31, 1997

Science.gov (United States)

Lamb, W. E. Jr.

1981-12-01

This final report describes research on the theory of isotope separation produced by the illumination of polyatomic molecules by intense infrared laser radiation. This process is investigated by treating the molecule, sulfur hexafluoride, as a system of seven classical particles that obey the Newtonian equations of motion. A minicomputer is used to integrate these differential equations. The particles are acted on by interatomic forces, and by the time-dependent electric field of the laser. We have a very satisfactory expression for the interaction of the laser and the molecule which is compatible with infrared absorption and spectroscopic data. The interatomic potential is capable of improvement, and progress on this problem is still being made. We have made several computer runs of the dynamical behavior of the molecule using a reasonably good model for the interatomic force law. For the laser parameters chosen, we find that typically the molecule passes quickly through the resonance region into the quasi-continuum and even well into the real continuum before dissociation actually occurs. When viewed on a display terminal, the motions are exceedingly complex. As an aid to the visualization of the process, we have made a number of 16 mm movies depicting a three-dimensional representation of the motion of the seven particles. These show even more clearly the enormous complexity of the motions, and make clear the desirability of finding ways of characterizing the motion in simple ways without giving all of the numerical detail. One of the ways to do this is to introduce statistical parameters such as a temperature associated with the distribution of kinetic energies of the single particle. We have made such an analysis of our data runs, and have found favorable indications that such methods will prove useful in keeping track of the dynamical histories.

Investigation of Calibrating Force Transducer Using Sinusoidal Force

International Nuclear Information System (INIS)

Zhang Li; Wang Yu; Zhang Lizhe

2010-01-01

Sinusoidal force calibration method was studied several years before at Physikalisch-Technische Bundesanstalt (PTB). A similar dynamic force calibration system is developed at Changcheng Institute of Metrology and Measurement (CIMM). It uses electro-dynamic shakers to generate dynamic force in the range from 1 N to 20 kN, and heterodyne laser interferometers are used for acceleration measurement. The force transducer to be calibrated is mounted on the shaker, and a mass block is screwed on the top of force transducer, the sinusoidal forces realized by accelerated load masses are traceable to acceleration and mass according to the force definition. The methods of determining Spatial-dependent acceleration on mass block and measuring the end mass of force transducer in dynamic force calibration are discussed in this paper.

Study of local response effects in interatomic collisions with two active electrons in the framework of time-dependent density functional theory; Untersuchung lokaler Responseffekte in interatomaren Stoessen mit zwei aktiven Elektronen im Rahmen zeitabhaengiger Dichtefunktionaltheorie

Energy Technology Data Exchange (ETDEWEB)

Keim, M.

2005-07-01

In the present thesis response effects in interatomic collisions with two active electrons are studied in the range of non-relativistic collision energies. The starting point is the mapping of the time-dependent interacting many-electron sytem on an effective one-particle picture on the base of the time-dependent density functional theory (TDDFT). By means of the basis generator method the one-particle equations aring in the framework of the TDDFT concept are solved in a finite-dimensional model space. In the study of ionization cross section in the collisional systeem anti p+He it is shown that by response effects an essential diminuishing of the cross sections in comparison to the no-response case is reached. Analoguously the ionization cross sections for the collisional systems p-He, He{sup 2+}-He, Li{sup 3+}-He and p-Li{sup +} behave.

Calculations of lattice vibrational mode lifetimes using Jazz: a Python wrapper for LAMMPS

International Nuclear Information System (INIS)

Gao, Y; Wang, H; Daw, M S

2015-01-01

Jazz is a new python wrapper for LAMMPS [1], implemented to calculate the lifetimes of vibrational normal modes based on forces as calculated for any interatomic potential available in that package. The anharmonic character of the normal modes is analyzed via the Monte Carlo-based moments approximation as is described in Gao and Daw [2]. It is distributed as open-source software and can be downloaded from the website http://jazz.sourceforge.net/. (paper)

Calculations of lattice vibrational mode lifetimes using Jazz: a Python wrapper for LAMMPS

Science.gov (United States)

Gao, Y.; Wang, H.; Daw, M. S.

2015-06-01

Jazz is a new python wrapper for LAMMPS [1], implemented to calculate the lifetimes of vibrational normal modes based on forces as calculated for any interatomic potential available in that package. The anharmonic character of the normal modes is analyzed via the Monte Carlo-based moments approximation as is described in Gao and Daw [2]. It is distributed as open-source software and can be downloaded from the website http://jazz.sourceforge.net/.

Coupled thermomechanical behavior of graphene using the spring-based finite element approach

Energy Technology Data Exchange (ETDEWEB)

Georgantzinos, S. K., E-mail: sgeor@mech.upatras.gr; Anifantis, N. K., E-mail: nanif@mech.upatras.gr [Machine Design Laboratory, Department of Mechanical Engineering and Aeronautics, University of Patras, Rio, 26500 Patras (Greece); Giannopoulos, G. I., E-mail: ggiannopoulos@teiwest.gr [Materials Science Laboratory, Department of Mechanical Engineering, Technological Educational Institute of Western Greece, 1 Megalou Alexandrou Street, 26334 Patras (Greece)

2016-07-07

The prediction of the thermomechanical behavior of graphene using a new coupled thermomechanical spring-based finite element approach is the aim of this work. Graphene sheets are modeled in nanoscale according to their atomistic structure. Based on molecular theory, the potential energy is defined as a function of temperature, describing the interatomic interactions in different temperature environments. The force field is approached by suitable straight spring finite elements. Springs simulate the interatomic interactions and interconnect nodes located at the atomic positions. Their stiffness matrix is expressed as a function of temperature. By using appropriate boundary conditions, various different graphene configurations are analyzed and their thermo-mechanical response is approached using conventional finite element procedures. A complete parametric study with respect to the geometric characteristics of graphene is performed, and the temperature dependency of the elastic material properties is finally predicted. Comparisons with available published works found in the literature demonstrate the accuracy of the proposed method.

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)

Searching for globally optimal functional forms for interatomic potentials using genetic programming with parallel tempering.

Science.gov (United States)

Slepoy, A; Peters, M D; Thompson, A P

2007-11-30

Molecular dynamics and other molecular simulation methods rely on a potential energy function, based only on the relative coordinates of the atomic nuclei. Such a function, called a force field, approximately represents the electronic structure interactions of a condensed matter system. Developing such approximate functions and fitting their parameters remains an arduous, time-consuming process, relying on expert physical intuition. To address this problem, a functional programming methodology was developed that may enable automated discovery of entirely new force-field functional forms, while simultaneously fitting parameter values. The method uses a combination of genetic programming, Metropolis Monte Carlo importance sampling and parallel tempering, to efficiently search a large space of candidate functional forms and parameters. The methodology was tested using a nontrivial problem with a well-defined globally optimal solution: a small set of atomic configurations was generated and the energy of each configuration was calculated using the Lennard-Jones pair potential. Starting with a population of random functions, our fully automated, massively parallel implementation of the method reproducibly discovered the original Lennard-Jones pair potential by searching for several hours on 100 processors, sampling only a minuscule portion of the total search space. This result indicates that, with further improvement, the method may be suitable for unsupervised development of more accurate force fields with completely new functional forms. Copyright (c) 2007 Wiley Periodicals, Inc.

Quadriceps force and anterior tibial force occur obviously later than vertical ground reaction force: a simulation study

OpenAIRE

Ueno, Ryo; Ishida, Tomoya; Yamanaka, Masanori; Taniguchi, Shohei; Ikuta, Ryohei; Samukawa, Mina; Saito, Hiroshi; Tohyama, Harukazu

2017-01-01

Background: Although it is well known that quadriceps force generates anterior tibial force, it has been unclear whether quadriceps force causes great anterior tibial force during the early phase of a landing task. The purpose of the present study was to examine whether the quadriceps force induced great anterior tibial force during the early phase of a landing task. Methods: Fourteen young, healthy, female subjects performed a single-leg landing task. Muscle force and anterior tibial force w...

Adding Value to Force Diagrams: Representing Relative Force Magnitudes

Science.gov (United States)

Wendel, Paul

2011-05-01

Nearly all physics instructors recognize the instructional value of force diagrams, and this journal has published several collections of exercises to improve student skill in this area.1-4 Yet some instructors worry that too few students perceive the conceptual and problem-solving utility of force diagrams,4-6 and over recent years a rich variety of approaches has been proposed to add value to force diagrams. Suggestions include strategies for identifying candidate forces,6,7 emphasizing the distinction between "contact" and "noncontact" forces,5,8 and the use of computer-based tutorials.9,10 Instructors have suggested a variety of conventions for constructing force diagrams, including approaches to arrow placement and orientation2,11-13 and proposed notations for locating forces or marking action-reaction force pairs.8,11,14,15

Force and Directional Force Modulation Effects on Accuracy and Variability in Low-Level Pinch Force Tracking.

Science.gov (United States)

Park, Sangsoo; Spirduso, Waneen; Eakin, Tim; Abraham, Lawrence

2018-01-01

The authors investigated how varying the required low-level forces and the direction of force change affect accuracy and variability of force production in a cyclic isometric pinch force tracking task. Eighteen healthy right-handed adult volunteers performed the tracking task over 3 different force ranges. Root mean square error and coefficient of variation were higher at lower force levels and during minimum reversals compared with maximum reversals. Overall, the thumb showed greater root mean square error and coefficient of variation scores than did the index finger during maximum reversals, but not during minimum reversals. The observed impaired performance during minimum reversals might originate from history-dependent mechanisms of force production and highly coupled 2-digit performance.

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

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....

Dispersion Forces

CERN Document Server

Buhmann, Stefan Yoshi

2012-01-01

In this book, a modern unified theory of dispersion forces on atoms and bodies is presented which covers a broad range of advanced aspects and scenarios. Macroscopic quantum electrodynamics is shown to provide a powerful framework for dispersion forces which allows for discussing general properties like their non-additivity and the relation between microscopic and macroscopic interactions. It is demonstrated how the general results can be used to obtain dispersion forces on atoms in the presence of bodies of various shapes and materials. Starting with a brief recapitulation of volume I, this volume II deals especially with bodies of irregular shapes, universal scaling laws, dynamical forces on excited atoms, enhanced forces in cavity quantum electrodynamics, non-equilibrium forces in thermal environments and quantum friction. The book gives both the specialist and those new to the field a thorough overview over recent results in the field. It provides a toolbox for studying dispersion forces in various contex...

Final Environmental Assessment for the First Air Force Air Operations Center, First Air Force Headquarters/Air Force Forces Center, and Highway 98 Overpass at Tyndall Air Force Base, Florida

Science.gov (United States)

2004-01-01

no comments regarding the Draft Environmental Assessment for the First Air Force Operations Center, First Air Force Headquarters/Air Force Forces...COUNCIL ] No Comment BAY - BAY COUNTY No Final Comments Received ENVIRONMENTAL POLICY UNIT - OFFICE OF POLICY AND BUDGET, ENVIRONMENTAL POLICY UNIT NO ...CONSERVATION COMMISSION [ NO COMMENT BY BRIAN BARNETT ON 4/12/04. [STATE - FLORIDA DEPARTMENT OF STATE [ No Comment [TRANSPORTATION - FLORIDA DEPARTMENT

Crossing Over from Attractive to Repulsive Interactions in a Tunneling Bosonic Josephson Junction.

Science.gov (United States)

Spagnolli, G; Semeghini, G; Masi, L; Ferioli, G; Trenkwalder, A; Coop, S; Landini, M; Pezzè, L; Modugno, G; Inguscio, M; Smerzi, A; Fattori, M

2017-06-09

We explore the interplay between tunneling and interatomic interactions in the dynamics of a bosonic Josephson junction. We tune the scattering length of an atomic ^{39}K Bose-Einstein condensate confined in a double-well trap to investigate regimes inaccessible to other superconducting or superfluid systems. In the limit of small-amplitude oscillations, we study the transition from Rabi to plasma oscillations by crossing over from attractive to repulsive interatomic interactions. We observe a critical slowing down in the oscillation frequency by increasing the strength of an attractive interaction up to the point of a quantum phase transition. With sufficiently large initial oscillation amplitude and repulsive interactions, the system enters the macroscopic quantum self-trapping regime, where we observe coherent undamped oscillations with a self-sustained average imbalance of the relative well population. The exquisite agreement between theory and experiments enables the observation of a broad range of many body coherent dynamical regimes driven by tunable tunneling energy, interactions and external forces, with applications spanning from atomtronics to quantum metrology.

Rigid two-axis MEMS force plate for measuring cellular traction force

International Nuclear Information System (INIS)

Takahashi, Hidetoshi; Jung, Uijin G; Shimoyama, Isao; Kan, Tetsuo; Tsukagoshi, Takuya; Matsumoto, Kiyoshi

2016-01-01

Cellular traction force is one of the important factors for understanding cell behaviors, such as spreading, migration and differentiation. Cells are known to change their behavior according to the mechanical stiffness of the environment. However, the measurement of cell traction forces on a rigid environment has remained difficult. This paper reports a micro-electromechanical systems (MEMS) force plate that provides a cellular traction force measurement on a rigid substrate. Both the high force sensitivity and high stiffness of the substrate were obtained using piezoresistive sensing elements. The proposed force plate consists of a 70 µ m  ×  15 µ m  ×  5 µ m base as the substrate for cultivating a bovine aortic smooth muscle cell, and the supporting beams with piezoresistors on the sidewall and the surface were used to measure the forces in both the horizontal and vertical directions. The spring constant and force resolution of the fabricated force plate in the horizontal direction were 0.2 N m −1 and less than 0.05 µ N, respectively. The cell traction force was measured, and the traction force increased by approximately 1 µ N over 30 min. These results demonstrate that the proposed force plate is applicable as an effective traction force measurement. (paper)

Automated force controller for amplitude modulation atomic force microscopy

Energy Technology Data Exchange (ETDEWEB)

Miyagi, Atsushi, E-mail: atsushi.miyagi@inserm.fr, E-mail: simon.scheuring@inserm.fr; Scheuring, Simon, E-mail: atsushi.miyagi@inserm.fr, E-mail: simon.scheuring@inserm.fr [U1006 INSERM, Université Aix-Marseille, Parc Scientifique et Technologique de Luminy, 163 Avenue de Luminy, 13009 Marseille (France)

2016-05-15

Atomic Force Microscopy (AFM) is widely used in physics, chemistry, and biology to analyze the topography of a sample at nanometer resolution. Controlling precisely the force applied by the AFM tip to the sample is a prerequisite for faithful and reproducible imaging. In amplitude modulation (oscillating) mode AFM, the applied force depends on the free and the setpoint amplitudes of the cantilever oscillation. Therefore, for keeping the applied force constant, not only the setpoint amplitude but also the free amplitude must be kept constant. While the AFM user defines the setpoint amplitude, the free amplitude is typically subject to uncontrollable drift, and hence, unfortunately, the real applied force is permanently drifting during an experiment. This is particularly harmful in biological sciences where increased force destroys the soft biological matter. Here, we have developed a strategy and an electronic circuit that analyzes permanently the free amplitude of oscillation and readjusts the excitation to maintain the free amplitude constant. As a consequence, the real applied force is permanently and automatically controlled with picoNewton precision. With this circuit associated to a high-speed AFM, we illustrate the power of the development through imaging over long-duration and at various forces. The development is applicable for all AFMs and will widen the applicability of AFM to a larger range of samples and to a larger range of (non-specialist) users. Furthermore, from controlled force imaging experiments, the interaction strength between biomolecules can be analyzed.

Imaging stability in force-feedback high-speed atomic force microscopy

International Nuclear Information System (INIS)

Kim, Byung I.; Boehm, Ryan D.

2013-01-01

We studied the stability of force-feedback high-speed atomic force microscopy (HSAFM) by imaging soft, hard, and biological sample surfaces at various applied forces. The HSAFM images showed sudden topographic variations of streaky fringes with a negative applied force when collected on a soft hydrocarbon film grown on a grating sample, whereas they showed stable topographic features with positive applied forces. The instability of HSAFM images with the negative applied force was explained by the transition between contact and noncontact regimes in the force–distance curve. When the grating surface was cleaned, and thus hydrophilic by removing the hydrocarbon film, enhanced imaging stability was observed at both positive and negative applied forces. The higher adhesive interaction between the tip and the surface explains the improved imaging stability. The effects of imaging rate on the imaging stability were tested on an even softer adhesive Escherichia coli biofilm deposited onto the grating structure. The biofilm and planktonic cell structures in HSAFM images were reproducible within the force deviation less than ∼0.5 nN at the imaging rate up to 0.2 s per frame, suggesting that the force-feedback HSAFM was stable for various imaging speeds in imaging softer adhesive biological samples. - Highlights: ► We investigated the imaging stability of force-feedback HSAFM. ► Stable–unstable imaging transitions rely on applied force and sample hydrophilicity. ► The stable–unstable transitions are found to be independent of imaging rate

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.

The nonequilibrium molecular dynamics

International Nuclear Information System (INIS)

Hoover, W.G.

1992-03-01

MOLECULAR DYNAMICS has been generalized in order to simulate a variety of NONEQUILIBRIUM systems. This generalization has been achieved by adopting microscopic mechanical definitions of macroscopic thermodynamic and hydrodynamic variables, such as temperature and stress. Some of the problems already treated include rapid plastic deformation, intense heat conduction, strong shockwaves simulation, and far-from-equilibrium phase transformations. Continuing advances in technique and in the modeling of interatomic forces, coupled with qualitative improvements in computer hardware, are enabling such simulations to approximate real-world microscale and nanoscale experiments

Three-nucleon forces

International Nuclear Information System (INIS)

Sauer, P.U.

2014-01-01

In this paper, the role of three-nucleon forces in ab initio calculations of nuclear systems is investigated. The difference between genuine and induced many-nucleon forces is emphasized. Induced forces arise in the process of solving the nuclear many-body problem as technical intermediaries toward calculationally converged results. Genuine forces make up the Hamiltonian. They represent the chosen underlying dynamics. The hierarchy of contributions arising from genuine two-, three- and many-nucleon forces is discussed. Signals for the need of the inclusion of genuine three-nucleon forces are studied in nuclear systems, technically best under control, especially in three-nucleon and four-nucleon systems. Genuine three-nucleon forces are important for details in the description of some observables. Their contributions to observables are small on the scale set by two-nucleon forces. (author)

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.

Force modulation for improved conductive-mode atomic force microscopy

NARCIS (Netherlands)

Koelmans, W.W.; Sebastian, Abu; Despont, Michel; Pozidis, Haris

We present an improved conductive-mode atomic force microscopy (C-AFM) method by modulating the applied loading force on the tip. Unreliable electrical contact and tip wear are the primary challenges for electrical characterization at the nanometer scale. The experiments show that force modulation

Quantum fictitious forces

DEFF Research Database (Denmark)

Bialynicki-Birula, I; Cirone, M.A.; Dahl, Jens Peder

2002-01-01

We present Heisenberg's equation of motion for the radial variable of a free non-relativistic particle in D dimensions. The resulting radial force consists of three contributions: (i) the quantum fictitious force which is either attractive or repulsive depending on the number of dimensions, (ii......) a singular quantum force located at the origin, and (iii) the centrifugal force associated with non-vanishing angular momentum. Moreover, we use Heisenberg's uncertainty relation to introduce a lower bound for the kinetic energy of an ensemble of neutral particles. This bound is quadratic in the number...... of atoms and can be traced back to the repulsive quantum fictitious potential. All three forces arise for a free particle: "Force without force"....

Adhesive contact: from atomistic model to continuum model

International Nuclear Information System (INIS)

Fan Kang-Qi; Jia Jian-Yuan; Zhu Ying-Min; Zhang Xiu-Yan

2011-01-01

Two types of Lennard-Jones potential are widely used in modeling adhesive contacts. However, the relationships between the parameters of the two types of Lennard-Jones potential are not well defined. This paper employs a self-consistent method to derive the Lennard-Jones surface force law from the interatomic Lennard-Jones potential with emphasis on the relationships between the parameters. The effect of using correct parameters in the adhesion models is demonstrated in single sphere-flat contact via continuum models and an atomistic model. Furthermore, the adhesion hysteresis behaviour is investigated, and the S-shaped force-distance relation is revealed by the atomistic model. It shows that the adhesion hysteresis loop is generated by the jump-to-contact and jump-off-contact, which are illustrated by the S-shaped force-distance curve. (atomic and molecular physics)

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

Abstract ID: 176 Geant4 implementation of inter-atomic interference effect in small-angle coherent X-ray scattering for materials of medical interest.

Science.gov (United States)

Paternò, Gianfranco; Cardarelli, Paolo; Contillo, Adriano; Gambaccini, Mauro; Taibi, Angelo

2018-01-01

Advanced applications of digital mammography such as dual-energy and tomosynthesis require multiple exposures and thus deliver higher dose compared to standard mammograms. A straightforward manner to reduce patient dose without affecting image quality would be removal of the anti-scatter grid, provided that the involved reconstruction algorithms are able to take the scatter figure into account [1]. Monte Carlo simulations are very well suited for the calculation of X-ray scatter distribution and can be used to integrate such information within the reconstruction software. Geant4 is an open source C++ particle tracking code widely used in several physical fields, including medical physics [2,3]. However, the coherent scattering cross section used by the standard Geant4 code does not take into account the influence of molecular interference. According to the independent atomic scattering approximation (the so-called free-atom model), coherent radiation is indistinguishable from primary radiation because its angular distribution is peaked in the forward direction. Since interference effects occur between x-rays scattered by neighbouring atoms in matter, it was shown experimentally that the scatter distribution is affected by the molecular structure of the target, even in amorphous materials. The most important consequence is that the coherent scatter distribution is not peaked in the forward direction, and the position of the maximum is strongly material-dependent [4]. In this contribution, we present the implementation of a method to take into account inter-atomic interference in small-angle coherent scattering in Geant4, including a dedicated data set of suitable molecular form factor values for several materials of clinical interest. Furthermore, we present scatter images of simple geometric phantoms in which the Rayleigh contribution is rigorously evaluated. Copyright © 2017.

Force Measurement with a Piezoelectric Cantilever in a Scanning Force Microscope

OpenAIRE

Tansock, J.; Williams, C. C.

1992-01-01

Detection of surface forces between a tip and sample has been demonstrated with a piezoelectric cantilever in a scanning force microscope (SFM). The use of piezoelectric force sensing is particularly advantageous in semiconductor applications where stray light from conventional optical force-sensing methods can significantly modify the local carrier density. Additionally, the piezoelectric sensors are simple, provide good sensitivity to force, and can be batch fabricated. Our piezoelectric fo...

Force reconstruction from tapping mode force microscopy experiments

International Nuclear Information System (INIS)

Payam, Amir F; Martin-Jimenez, Daniel; Garcia, Ricardo

2015-01-01

Fast, accurate, and robust nanomechanical measurements are intensely studied in materials science, applied physics, and molecular biology. Amplitude modulation force microscopy (tapping mode) is the most established nanoscale characterization technique of surfaces for air and liquid environments. However, its quantitative capabilities lag behind its high spatial resolution and robustness. We develop a general method to transform the observables into quantitative force measurements. The force reconstruction algorithm has been deduced on the assumption that the observables (amplitude and phase shift) are slowly varying functions of the tip–surface separation. The accuracy and applicability of the method is validated by numerical simulations and experiments. The method is valid for liquid and air environments, small and large free amplitudes, compliant and rigid materials, and conservative and non-conservative forces. (paper)

Labor Force

Science.gov (United States)

Occupational Outlook Quarterly, 2012

2012-01-01

The labor force is the number of people ages 16 or older who are either working or looking for work. It does not include active-duty military personnel or the institutionalized population, such as prison inmates. Determining the size of the labor force is a way of determining how big the economy can get. The size of the labor force depends on two…

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.

Digital force-feedback for protein unfolding experiments using atomic force microscopy

Science.gov (United States)

Bippes, Christian A.; Janovjak, Harald; Kedrov, Alexej; Muller, Daniel J.

2007-01-01

Since its invention in the 1990s single-molecule force spectroscopy has been increasingly applied to study protein (un-)folding, cell adhesion, and ligand-receptor interactions. In most force spectroscopy studies, the cantilever of an atomic force microscope (AFM) is separated from a surface at a constant velocity, thus applying an increasing force to folded bio-molecules or bio-molecular bonds. Recently, Fernandez and co-workers introduced the so-called force-clamp technique. Single proteins were subjected to a defined constant force allowing their life times and life time distributions to be directly measured. Up to now, the force-clamping was performed by analogue PID controllers, which require complex additional hardware and might make it difficult to combine the force-feedback with other modes such as constant velocity. These points may be limiting the applicability and versatility of this technique. Here we present a simple, fast, and all-digital (software-based) PID controller that yields response times of a few milliseconds in combination with a commercial AFM. We demonstrate the performance of our feedback loop by force-clamp unfolding of single Ig27 domains of titin and the membrane proteins bacteriorhodopsin (BR) and the sodium/proton antiporter NhaA.

Digital force-feedback for protein unfolding experiments using atomic force microscopy

International Nuclear Information System (INIS)

Bippes, Christian A; Janovjak, Harald; Kedrov, Alexej; Muller, Daniel J

2007-01-01

Since its invention in the 1990s single-molecule force spectroscopy has been increasingly applied to study protein (un-)folding, cell adhesion, and ligand-receptor interactions. In most force spectroscopy studies, the cantilever of an atomic force microscope (AFM) is separated from a surface at a constant velocity, thus applying an increasing force to folded bio-molecules or bio-molecular bonds. Recently, Fernandez and co-workers introduced the so-called force-clamp technique. Single proteins were subjected to a defined constant force allowing their life times and life time distributions to be directly measured. Up to now, the force-clamping was performed by analogue PID controllers, which require complex additional hardware and might make it difficult to combine the force-feedback with other modes such as constant velocity. These points may be limiting the applicability and versatility of this technique. Here we present a simple, fast, and all-digital (software-based) PID controller that yields response times of a few milliseconds in combination with a commercial AFM. We demonstrate the performance of our feedback loop by force-clamp unfolding of single Ig27 domains of titin and the membrane proteins bacteriorhodopsin (BR) and the sodium/proton antiporter NhaA

Quantum anticentrifugal force

International Nuclear Information System (INIS)

Cirone, M.A.; Schleich, W.P.; Straub, F.; Rzazewski, K.; Wheeler, J.A.

2002-01-01

In a two-dimensional world, a free quantum particle of vanishing angular momentum experiences an attractive force. This force originates from a modification of the classical centrifugal force due to the wave nature of the particle. For positive energies the quantum anticentrifugal force manifests itself in a bunching of the nodes of the energy wave functions towards the origin. For negative energies this force is sufficient to create a bound state in a two-dimensional δ-function potential. In a counterintuitive way, the attractive force pushes the particle away from the location of the δ-function potential. As a consequence, the particle is localized in a band-shaped domain around the origin

Simulations of intergranular fracture in nanocrystalline molybdenum

DEFF Research Database (Denmark)

Frederiksen, Søren Lund; Jacobsen, Karsten Wedel; Schiøtz, Jakob

2004-01-01

Using molecular dynamics simulations we investigate the plastic deformation of nanocrystalline molybdenum with a grain size of 12 nm at high strain rates. The simulations are performed with an interatomic potential which is obtained through matching of atomic forces to a database generated...... with density-functional calculations. The simulations show the plastic deformation to involve both grain boundary processes and dislocation migration which in some cases lead to twin boundary formation. A large component of the strain is accommodated through the formation of cracks in the grain boundaries...

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.

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

78 FR 2996 - Meeting of the Community Preventive Services Task Force (Task Force)

Science.gov (United States)

2013-01-15

... Community Preventive Services Task Force (Task Force) AGENCY: Centers for Disease Control and Prevention... Services Task Force (Task Force). The Task Force is independent and nonfederal. Its members are nationally.... The Task Force was convened in 1996 by the Department of Health and Human Services (HHS) to assess the...

77 FR 56845 - Meeting of the Community Preventive Services Task Force (Task Force)

Science.gov (United States)

2012-09-14

... Community Preventive Services Task Force (Task Force) AGENCY: Centers for Disease Control and Prevention... Services Task Force (Task Force). The Task Force is independent and nonfederal. Its members are nationally.... The Task Force was convened in 1996 by the Department of Health and Human Services (HHS) to assess the...

78 FR 27969 - Meeting of the Community Preventive Services Task Force (Task Force)

Science.gov (United States)

2013-05-13

... Community Preventive Services Task Force (Task Force) AGENCY: Centers for Disease Control and Prevention... Services Task Force (Task Force). The Task Force is independent and nonfederal. Its members are nationally.... The Task Force was convened in 1996 by the Department of Health and Human Services (HHS) to assess the...

The contribution of the electrostatic proximity force to atomic force microscopy with insulators

International Nuclear Information System (INIS)

Stanley Czarnecki, W.; Schein, L.B.

2005-01-01

Measurements, using atomic force microscopy, of the force and force derivative on a charged insulating micron sized sphere as a function of gap between the sphere and a conductive plane have revealed attractive forces at finite gaps that are larger than predicted by either van der Waals or conventional electrostatic forces. We suggest that these observations may be due to an electrostatic force that we have identified theoretically and call the proximity force. This proximity force is due to the discrete charges on the surface of the sphere in close proximity to the plane

The contribution of the electrostatic proximity force to atomic force microscopy with insulators

Energy Technology Data Exchange (ETDEWEB)

Stanley Czarnecki, W. [Aetas Technology Corporation, P.O. Box 53398, Irvine, CA 92619-3398 (United States); IBM Corporation, 5600 Cottle Rd., Building 13, San Jose, CA 95193 (United States); Schein, L.B. [Aetas Technology Corporation, P.O. Box 53398, Irvine, CA 92619-3398 (United States)]. E-mail: schein@prodigy.net

2005-05-16

Measurements, using atomic force microscopy, of the force and force derivative on a charged insulating micron sized sphere as a function of gap between the sphere and a conductive plane have revealed attractive forces at finite gaps that are larger than predicted by either van der Waals or conventional electrostatic forces. We suggest that these observations may be due to an electrostatic force that we have identified theoretically and call the proximity force. This proximity force is due to the discrete charges on the surface of the sphere in close proximity to the plane.

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.

Force-activatable biosensor enables single platelet force mapping directly by fluorescence imaging.

Science.gov (United States)

Wang, Yongliang; LeVine, Dana N; Gannon, Margaret; Zhao, Yuanchang; Sarkar, Anwesha; Hoch, Bailey; Wang, Xuefeng

2018-02-15

Integrin-transmitted cellular forces are critical for platelet adhesion, activation, aggregation and contraction during hemostasis and thrombosis. Measuring and mapping single platelet forces are desired in both research and clinical applications. Conventional force-to-strain based cell traction force microscopies have low resolution which is not ideal for cellular force mapping in small platelets. To enable platelet force mapping with submicron resolution, we developed a force-activatable biosensor named integrative tension sensor (ITS) which directly converts molecular tensions to fluorescent signals, therefore enabling cellular force mapping directly by fluorescence imaging. With ITS, we mapped cellular forces in single platelets at 0.4µm resolution. We found that platelet force distribution has strong polarization which is sensitive to treatment with the anti-platelet drug tirofiban, suggesting that the ITS force map can report anti-platelet drug efficacy. The ITS also calibrated integrin molecular tensions in platelets and revealed two distinct tension levels: 12-54 piconewton (nominal values) tensions generated during platelet adhesion and tensions above 54 piconewton generated during platelet contraction. Overall, the ITS is a powerful biosensor for the study of platelet mechanobiology, and holds great potential in antithrombotic drug development and assessing platelet activity in health and disease. Copyright © 2017 Elsevier B.V. All rights reserved.

Concurrent Validity of a Portable Force Plate Using Vertical Jump Force-Time Characteristics.

Science.gov (United States)

Lake, Jason; Mundy, Peter; Comfort, Paul; McMahon, John J; Suchomel, Timothy J; Carden, Patrick

2018-05-29

This study examined concurrent validity of countermovement vertical jump (CMJ) reactive strength index modified and force-time characteristics recorded using a one dimensional portable and laboratory force plate system. Twenty-eight men performed bilateral CMJs on two portable force plates placed on top of two in-ground force plates, both recording vertical ground reaction force at 1000 Hz. Time to take-off, jump height, reactive strength index modified, braking and propulsion impulse, mean net force, and duration were calculated from the vertical force from both force plate systems. Results from both systems were highly correlated (r≥.99). There were small (dbraking impulse, braking mean net force, propulsion impulse, and propulsion mean net force (psystem (95% CL: .9% to 2.5%), indicating very good agreement across all of the dependent variables. The largest limits of agreement belonged to jump height (2.1%), time to take-off (3.4%), and reactive strength index modified (3.8%). The portable force plate system provides a valid method of obtaining reactive strength measures, and several underpinning force-time variables, from unloaded CMJ and practitioners can use both force plates interchangeably.

Forces in general relativity

International Nuclear Information System (INIS)

Ridgely, Charles T

2010-01-01

Many textbooks dealing with general relativity do not demonstrate the derivation of forces in enough detail. The analyses presented herein demonstrate straightforward methods for computing forces by way of general relativity. Covariant divergence of the stress-energy-momentum tensor is used to derive a general expression of the force experienced by an observer in general coordinates. The general force is then applied to the local co-moving coordinate system of a uniformly accelerating observer, leading to an expression of the inertial force experienced by the observer. Next, applying the general force in Schwarzschild coordinates is shown to lead to familiar expressions of the gravitational force. As a more complex demonstration, the general force is applied to an observer in Boyer-Lindquist coordinates near a rotating, Kerr black hole. It is then shown that when the angular momentum of the black hole goes to zero, the force on the observer reduces to the force on an observer held stationary in Schwarzschild coordinates. As a final consideration, the force on an observer moving in rotating coordinates is derived. Expressing the force in terms of Christoffel symbols in rotating coordinates leads to familiar expressions of the centrifugal and Coriolis forces on the observer. It is envisioned that the techniques presented herein will be most useful to graduate level students, as well as those undergraduate students having experience with general relativity and tensor analysis.

78 FR 59939 - Meeting of the Community Preventive Services Task Force (Task Force)

Science.gov (United States)

2013-09-30

... Community Preventive Services Task Force (Task Force) AGENCY: Centers for Disease Control and Prevention... September 17, 2013, announcing the next meeting of the Community Preventive Services Task Force (Task Force... the Task Force to consider the findings of systematic reviews and issue findings and recommendations...

Acoustic force spectroscopy

NARCIS (Netherlands)

Sitters, G.; Kamsma, D.; Thalhammer, G.; Ritsch-Marte, M.; Peterman, E.J.G.; Wuite, G.J.L.

2015-01-01

Force spectroscopy has become an indispensable tool to unravel the structural and mechanochemical properties of biomolecules. Here we extend the force spectroscopy toolbox with an acoustic manipulation device that can exert forces from subpiconewtons to hundreds of piconewtons on thousands of

Handbook of force transducers

CERN Document Server

Stefanescu, Dan Mihai

2011-01-01

Part I introduces the basic ""Principles and Methods of Force Measurement"" acording to a classification into a dozen of force transducers types: resistive, inductive, capacitive, piezoelectric, electromagnetic, electrodynamic, magnetoelastic, galvanomagnetic (Hall-effect), vibrating wires, (micro)resonators, acoustic and gyroscopic. Two special chapters refer to force balance techniques and to combined methods in force measurement. Part II discusses the ""(Strain Gauge) Force Transducers Components"", evolving from the classical force transducer to the digital / intelligent one, with the inco

12th Air Force > Home

Science.gov (United States)

Force AOR Travel Info News prevnext Slide show 76,410 pounds of food delivered to Haiti 12th Air Force the French Air Force, Colombian Air Force, Pakistan Air Force, Belgian Air Force, Brazilian Air Force

Development of a commercially viable piezoelectric force sensor system for static force measurement

Science.gov (United States)

Liu, Jun; Luo, Xinwei; Liu, Jingcheng; Li, Min; Qin, Lan

2017-09-01

A compensation method for measuring static force with a commercial piezoelectric force sensor is proposed to disprove the theory that piezoelectric sensors and generators can only operate under dynamic force. After studying the model of the piezoelectric force sensor measurement system, the principle of static force measurement using a piezoelectric material or piezoelectric force sensor is analyzed. Then, the distribution law of the decay time constant of the measurement system and the variation law of the measurement system’s output are studied, and a compensation method based on the time interval threshold Δ t and attenuation threshold Δ {{u}th} is proposed. By calibrating the system and considering the influences of the environment and the hardware, a suitable Δ {{u}th} value is determined, and the system’s output attenuation is compensated based on the Δ {{u}th} value to realize the measurement. Finally, a static force measurement system with a piezoelectric force sensor is developed based on the compensation method. The experimental results confirm the successful development of a simple compensation method for static force measurement with a commercial piezoelectric force sensor. In addition, it is established that, contrary to the current perception, a piezoelectric force sensor system can be used to measure static force through further calibration.

Minimizing pulling geometry errors in atomic force microscope single molecule force spectroscopy.

Science.gov (United States)

Rivera, Monica; Lee, Whasil; Ke, Changhong; Marszalek, Piotr E; Cole, Daniel G; Clark, Robert L

2008-10-01

In atomic force microscopy-based single molecule force spectroscopy (AFM-SMFS), it is assumed that the pulling angle is negligible and that the force applied to the molecule is equivalent to the force measured by the instrument. Recent studies, however, have indicated that the pulling geometry errors can drastically alter the measured force-extension relationship of molecules. Here we describe a software-based alignment method that repositions the cantilever such that it is located directly above the molecule's substrate attachment site. By aligning the applied force with the measurement axis, the molecule is no longer undergoing combined loading, and the full force can be measured by the cantilever. Simulations and experimental results verify the ability of the alignment program to minimize pulling geometry errors in AFM-SMFS studies.

Force sharing and other collaborative strategies in a dyadic force perception task.

Science.gov (United States)

Tatti, Fabio; Baud-Bovy, Gabriel

2018-01-01

When several persons perform a physical task jointly, such as transporting an object together, the interaction force that each person experiences is the sum of the forces applied by all other persons on the same object. Therefore, there is a fundamental ambiguity about the origin of the force that each person experiences. This study investigated the ability of a dyad (two persons) to identify the direction of a small force produced by a haptic device and applied to a jointly held object. In this particular task, the dyad might split the force produced by the haptic device (the external force) in an infinite number of ways, depending on how the two partners interacted physically. A major objective of this study was to understand how the two partners coordinated their action to perceive the direction of the third force that was applied to the jointly held object. This study included a condition where each participant responded independently and another one where the two participants had to agree upon a single negotiated response. The results showed a broad range of behaviors. In general, the external force was not split in a way that would maximize the joint performance. In fact, the external force was often split very unequally, leaving one person without information about the external force. However, the performance was better than expected in this case, which led to the discovery of an unanticipated strategy whereby the person who took all the force transmitted this information to the partner by moving the jointly held object. When the dyad could negotiate the response, we found that the participant with less force information tended to switch his or her response more often.

Stable dynamics in forced systems with sufficiently high/low forcing frequency.

Science.gov (United States)

Bartuccelli, M; Gentile, G; Wright, J A

2016-08-01

We consider parametrically forced Hamiltonian systems with one-and-a-half degrees of freedom and study the stability of the dynamics when the frequency of the forcing is relatively high or low. We show that, provided the frequency is sufficiently high, Kolmogorov-Arnold-Moser (KAM) theorem may be applied even when the forcing amplitude is far away from the perturbation regime. A similar result is obtained for sufficiently low frequency, but in that case we need the amplitude of the forcing to be not too large; however, we are still able to consider amplitudes which are outside of the perturbation regime. In addition, we find numerically that the dynamics may be stable even when the forcing amplitude is very large, well beyond the range of validity of the analytical results, provided the frequency of the forcing is taken correspondingly low.

High Cable Forces Deteriorate Pinch Force Control in Voluntary-Closing Body-Powered Prostheses.

Directory of Open Access Journals (Sweden)

Mona Hichert

Full Text Available It is generally asserted that reliable and intuitive control of upper-limb prostheses requires adequate feedback of prosthetic finger positions and pinch forces applied to objects. Body-powered prostheses (BPPs provide the user with direct proprioceptive feedback. Currently available BPPs often require high cable operation forces, which complicates control of the forces at the terminal device. The aim of this study is to quantify the influence of high cable forces on object manipulation with voluntary-closing prostheses.Able-bodied male subjects were fitted with a bypass-prosthesis with low and high cable force settings for the prehensor. Subjects were requested to grasp and transfer a collapsible object as fast as they could without dropping or breaking it. The object had a low and a high breaking force setting.Subjects conducted significantly more successful manipulations with the low cable force setting, both for the low (33% more and high (50% object's breaking force. The time to complete the task was not different between settings during successful manipulation trials.High cable forces lead to reduced pinch force control during object manipulation. This implies that low cable operation forces should be a key design requirement for voluntary-closing BPPs.

Malaysia and forced migration

Directory of Open Access Journals (Sweden)

Arzura Idris

2012-06-01

Full Text Available This paper analyzes the phenomenon of “forced migration” in Malaysia. It examines the nature of forced migration, the challenges faced by Malaysia, the policy responses and their impact on the country and upon the forced migrants. It considers forced migration as an event hosting multifaceted issues related and relevant to forced migrants and suggests that Malaysia has been preoccupied with the issue of forced migration movements. This is largely seen in various responses invoked from Malaysia due to “south-south forced migration movements.” These responses are, however, inadequate in terms of commitment to the international refugee regime. While Malaysia did respond to economic and migration challenges, the paper asserts that such efforts are futile if she ignores issues critical to forced migrants.

Single-molecule force spectroscopy: optical tweezers, magnetic tweezers and atomic force microscopy

Science.gov (United States)

Neuman, Keir C.; Nagy, Attila

2012-01-01

Single-molecule force spectroscopy has emerged as a powerful tool to investigate the forces and motions associated with biological molecules and enzymatic activity. The most common force spectroscopy techniques are optical tweezers, magnetic tweezers and atomic force microscopy. These techniques are described and illustrated with examples highlighting current capabilities and limitations. PMID:18511917

Force sharing and other collaborative strategies in a dyadic force perception task

Science.gov (United States)

Tatti, Fabio

2018-01-01

When several persons perform a physical task jointly, such as transporting an object together, the interaction force that each person experiences is the sum of the forces applied by all other persons on the same object. Therefore, there is a fundamental ambiguity about the origin of the force that each person experiences. This study investigated the ability of a dyad (two persons) to identify the direction of a small force produced by a haptic device and applied to a jointly held object. In this particular task, the dyad might split the force produced by the haptic device (the external force) in an infinite number of ways, depending on how the two partners interacted physically. A major objective of this study was to understand how the two partners coordinated their action to perceive the direction of the third force that was applied to the jointly held object. This study included a condition where each participant responded independently and another one where the two participants had to agree upon a single negotiated response. The results showed a broad range of behaviors. In general, the external force was not split in a way that would maximize the joint performance. In fact, the external force was often split very unequally, leaving one person without information about the external force. However, the performance was better than expected in this case, which led to the discovery of an unanticipated strategy whereby the person who took all the force transmitted this information to the partner by moving the jointly held object. When the dyad could negotiate the response, we found that the participant with less force information tended to switch his or her response more often. PMID:29474433

Hydrostatic force sensor

International Nuclear Information System (INIS)

Evans, M.S.; Stoughton, R.S.; Kazerooni, H.

1994-08-01

This paper presents a theoretical and experimental investigation of a new kind of force sensor which detects forces by measuring an induced pressure change in a material of large Poisson's ratio. In this investigation we develop mathematical expressions for the sensor's sensitivity and bandwidth, and show that its sensitivity can be much larger and its bandwidth is usually smaller than those of existing strain-gage-type sensors. This force sensor is well-suited for measuring large but slowly varying forces. It can be installed in a space smaller than that required by existing sensors

Crossflow force transducer

International Nuclear Information System (INIS)

Mulcahy, T.M.

1982-05-01

A force transducer for measuring lift and drag coefficients for a circular cylinder in turbulent water flow is presented. In addition to describing the actual design and construction of the strain-gauged force- ring based transducer, requirements for obtained valid fluid force test data are discussed, and pertinent flow test experience is related

Different forces

CERN Multimedia

1982-01-01

The different forces, together with a pictorial analogy of how the exchange of particles works. The table lists the relative strength of the couplings, the quanta associated with the force fields and the bodies or phenomena in which they have a dominant role.

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

Excited hydrogen bonds in the molecular mechanism of muscle contraction.

Science.gov (United States)

Bespalova, S V; Tolpygo, K B

1991-11-21

The mechanism of muscle contraction is considered. The hydrolysis of an ATP molecule is assumed to produce the excitation of hydrogen bonds A--H...B between electronegative atoms A and B, which are contained in the myosin head and actin filament. This excitation energy epsilon f depends on the interatomic distance AB = R and generates the tractive force f = -delta epsilon f/delta R, that makes atoms AB approach each other. The swing of the myosin head results in macroscopic mutual displacement of actin and myosin polymers. The motion of the actin filament under the action of this force is studied. The conditions under which a considerable portion of the excitation energy converts into the potential tension energy of the actin filament are analysed, and the probability of higher muscle efficiency existence is discussed.

Chirality-dependent anisotropic elastic properties of a monolayer graphene nanosheet.

Science.gov (United States)

Guo, Jian-Gang; Zhou, Li-Jun; Kang, Yi-Lan

2012-04-01

An analytical approach is presented to predict the elastic properties of a monolayer graphene nanosheet based on interatomic potential energy and continuum mechanics. The elastic extension and torsional springs are utilized to simulate the stretching and angle variation of carbon-carbon bond, respectively. The constitutive equation of the graphene nanosheet is derived by using the strain energy density, and the analytical formulations for nonzero elastic constants are obtained. The in-plane elastic properties of the monolayer graphene nanosheet are proved to be anisotropic. In addition, Young's moduli, Poisson's ratios and shear modulus of the monolayer graphene nanosheet are calculated according to the force constants derived from Morse potential and AMBER force field, respectively, and they were proved to be chirality-dependent. The comparison with experimental results shows a very agreement.

Influence of post-stroke spasticity on EMG-force coupling and force steadiness in biceps brachii.

Science.gov (United States)

Carlyle, Jennilee K; Mochizuki, George

2018-02-01

Individuals with spasticity after stroke experience a decrease in force steadiness which can impact function. Alterations in the strength of EMG-force coupling may contribute to the reduction in force steadiness observed in spasticity. The aim was to determine the extent to which force steadiness and EMG-force coupling is affected by post-stroke spasticity. This cross-sectional study involved individuals with upper limb spasticity after stroke. Participants were required to generate and maintain isometric contractions of the elbow flexors at varying force levels. Coefficient of variation of force, absolute force, EMG-force cross-correlation function peak and peak latency was measured from both limbs with surface electromyography and isometric dynamometry. Statistically significant differences were observed between the affected and less affected limbs for all outcome measures. Significant main effects of force level were also observed. Force steadiness was not statistically significantly correlated with EMG-force coupling; however, both force steadiness and absolute force were associated with the level of impairment as measured by the Chedoke McMaster Stroke Assessment Scale. Spasticity after stroke uncouples the relationship between EMG and force and is associated with reduced force steadiness during isometric contractions; however, these features of control are not associated in individuals with spasticity. Copyright © 2017 Elsevier Ltd. All rights reserved.

Force Reproduction Error Depends on Force Level, whereas the Position Reproduction Error Does Not

NARCIS (Netherlands)

Onneweer, B.; Mugge, W.; Schouten, Alfred Christiaan

2016-01-01

When reproducing a previously perceived force or position humans make systematic errors. This study determined the effect of force level on force and position reproduction, when both target and reproduction force are self-generated with the same hand. Subjects performed force reproduction tasks at

The original Ampere force and Biot-Savart and Lorentz forces

International Nuclear Information System (INIS)

Pappas, P.T.

1983-01-01

The purpose of this paper is to present the results of a very simple experiment, which favours the original Ampere force and unambiguously disproves the Biot-Savart force of relativity, or its approximation in a covariant relativistic form, namely the Lorentz force. This experiment with its extra degree of freedom has the advantage over the many other similar ones, including Ampere's original experiment, which have been performed in the past and recently by Graneau, of giving results which are both qualitative and quantitative, as well as unambiguous. Due to the strong association of the Biot-Savart and Lorentz force to relativistic theories, the experiment can be also considered as limiting the generality of these theories

Bi-Force

DEFF Research Database (Denmark)

Sun, Peng; Speicher, Nora K; Röttger, Richard

2014-01-01

of pairwise similarities. We first evaluated the power of Bi-Force to solve dedicated bicluster editing problems by comparing Bi-Force with two existing algorithms in the BiCluE software package. We then followed a biclustering evaluation protocol in a recent review paper from Eren et al. (2013) (A...... comparative analysis of biclustering algorithms for gene expressiondata. Brief. Bioinform., 14:279-292.) and compared Bi-Force against eight existing tools: FABIA, QUBIC, Cheng and Church, Plaid, BiMax, Spectral, xMOTIFs and ISA. To this end, a suite of synthetic datasets as well as nine large gene expression...

78 FR 63208 - UPDATE-Meeting of the Community Preventive Services Task Force (Task Force)

Science.gov (United States)

2013-10-23

... of the Community Preventive Services Task Force (Task Force) AGENCY: Centers for Disease Control and... Community Preventive Services Task Force (Task Force). The in-person Task Force meeting is being replaced by... CDC's ability to complete the necessary scientific and logistical support for the meeting. The Task...

Interrelation between striction forces in dielectrics and optically induced forces in transparent media

International Nuclear Information System (INIS)

Torchigin, V P; Torchigin, A V

2012-01-01

Optically induced forces applied to a transparent optical medium, which is inserted in a closed plane optical resonator, are calculated by means of an analysis of the changes in the eigenfrequency and energy stored in the resonator at various positions of the medium. These forces are compared with striction forces applied to the medium considered as a dielectric placed in an alternate electrical field within the resonator. It is shown that the optically induced forces are equal to the striction forces. The results of using the classical formula for striction forces in electrostatics are considered. (paper)

The Past, Present, and Future of the Air Force's Future Total Force

National Research Council Canada - National Science Library

Duffy, Dennis P

2004-01-01

This project examines the history of the Total Force policy since its inception in 1970 through its implementation today in an effort to determine a future direction for the Air Force's Future Total Force initiative...

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...

Surface forces studied with colloidal probe atomic force microscopy

NARCIS (Netherlands)

Giesbers, M.

2001-01-01

Forces between surfaces are a determining factor for the performance of natural as well as synthetic colloidal systems, and play a crucial role in industrial production processes. Measuring these forces is a scientific and experimental challenge and over the years several techniques have

A force-sensing surgical tool with a proximally located force/torque sensor.

Science.gov (United States)

Schwalb, W; Shirinzadeh, B; Smith, J

2017-03-01

Robotic surgery has seen a rapid increase in popularity in the last few decades because advantages such as increased accuracy and dexterity can be realized. These systems still lack force-feedback, where such a capability is believed to be beneficial to the surgeon and can improve safety. In this paper a force-feedback enabled surgical robotic system is described in which the developed force-sensing surgical tool is discussed in detail. The developed surgical tool makes use of a proximally located force/torque sensor, which, in contrast to a distally located sensor, requires no miniaturization or sterilizability. Experimental results are presented, and indicate high force sensing accuracies with errors <0.09 N. It is shown that developing a force-sensing surgical tool utilizing a proximally located force/torque sensor is feasible, where a tool outer diameter of 12 mm can be achieved. For future work it is desired to decrease the current tool outer diameter to 10 mm. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Refined potentials for rare gas atom adsorption on rare gas and alkali-halide surfaces

Science.gov (United States)

Wilson, J. W.; Heinbockel, J. H.; Outlaw, R. A.

1985-01-01

The utilization of models of interatomic potential for physical interaction to estimate the long range attractive potential for rare gases and ions is discussed. The long range attractive force is calculated in terms of the atomic dispersion properties. A data base of atomic dispersion parameters for rare gas atoms, alkali ion, and halogen ions is applied to the study of the repulsive core; the procedure for evaluating the repulsive core of ion interactions is described. The interaction of rare gas atoms on ideal rare gas solid and alkali-halide surfaces is analyzed; zero coverage absorption potentials are derived.

Method for lateral force calibration in atomic force microscope using MEMS microforce sensor.

Science.gov (United States)

Dziekoński, Cezary; Dera, Wojciech; Jarząbek, Dariusz M

2017-11-01

In this paper we present a simple and direct method for the lateral force calibration constant determination. Our procedure does not require any knowledge about material or geometrical parameters of an investigated cantilever. We apply a commercially available microforce sensor with advanced electronics for direct measurement of the friction force applied by the cantilever's tip to a flat surface of the microforce sensor measuring beam. Due to the third law of dynamics, the friction force of the equal value tilts the AFM cantilever. Therefore, torsional (lateral force) signal is compared with the signal from the microforce sensor and the lateral force calibration constant is determined. The method is easy to perform and could be widely used for the lateral force calibration constant determination in many types of atomic force microscopes. Copyright © 2017 Elsevier B.V. All rights reserved.

On computing stress in polymer systems involving multi-body potentials from molecular dynamics simulation

Science.gov (United States)

Fu, Yao; Song, Jeong-Hoon

2014-08-01

Hardy stress definition has been restricted to pair potentials and embedded-atom method potentials due to the basic assumptions in the derivation of a symmetric microscopic stress tensor. Force decomposition required in the Hardy stress expression becomes obscure for multi-body potentials. In this work, we demonstrate the invariance of the Hardy stress expression for a polymer system modeled with multi-body interatomic potentials including up to four atoms interaction, by applying central force decomposition of the atomic force. The balance of momentum has been demonstrated to be valid theoretically and tested under various numerical simulation conditions. The validity of momentum conservation justifies the extension of Hardy stress expression to multi-body potential systems. Computed Hardy stress has been observed to converge to the virial stress of the system with increasing spatial averaging volume. This work provides a feasible and reliable linkage between the atomistic and continuum scales for multi-body potential systems.

Short-range fundamental forces

International Nuclear Information System (INIS)

Antoniadis, I.; Baessler, S.; Buchner, M.; Fedorov, V.V.; Hoedl, S.; Nesvizhevsky, V.V.; Pignol, G.; Protasov, K.V.; Lambrecht, A.; Reynaud, S.; Sobolev, Y.

2010-01-01

We consider theoretical motivations to search for extra short-range fundamental forces as well as experiments constraining their parameters. The forces could be of two types: 1) spin-independent forces; 2) spin-dependent axion-like forces. Different experimental techniques are sensitive in respective ranges of characteristic distances. The techniques include measurements of gravity at short distances, searches for extra interactions on top of the Casimir force, precision atomic and neutron experiments. We focus on neutron constraints, thus the range of characteristic distances considered here corresponds to the range accessible for neutron experiments

The force pyramid: a spatial analysis of force application during virtual reality brain tumor resection.

Science.gov (United States)

Azarnoush, Hamed; Siar, Samaneh; Sawaya, Robin; Zhrani, Gmaan Al; Winkler-Schwartz, Alexander; Alotaibi, Fahad Eid; Bugdadi, Abdulgadir; Bajunaid, Khalid; Marwa, Ibrahim; Sabbagh, Abdulrahman Jafar; Del Maestro, Rolando F

2017-07-01

OBJECTIVE Virtual reality simulators allow development of novel methods to analyze neurosurgical performance. The concept of a force pyramid is introduced as a Tier 3 metric with the ability to provide visual and spatial analysis of 3D force application by any instrument used during simulated tumor resection. This study was designed to answer 3 questions: 1) Do study groups have distinct force pyramids? 2) Do handedness and ergonomics influence force pyramid structure? 3) Are force pyramids dependent on the visual and haptic characteristics of simulated tumors? METHODS Using a virtual reality simulator, NeuroVR (formerly NeuroTouch), ultrasonic aspirator force application was continually assessed during resection of simulated brain tumors by neurosurgeons, residents, and medical students. The participants performed simulated resections of 18 simulated brain tumors with different visual and haptic characteristics. The raw data, namely, coordinates of the instrument tip as well as contact force values, were collected by the simulator. To provide a visual and qualitative spatial analysis of forces, the authors created a graph, called a force pyramid, representing force sum along the z-coordinate for different xy coordinates of the tool tip. RESULTS Sixteen neurosurgeons, 15 residents, and 84 medical students participated in the study. Neurosurgeon, resident and medical student groups displayed easily distinguishable 3D "force pyramid fingerprints." Neurosurgeons had the lowest force pyramids, indicating application of the lowest forces, followed by resident and medical student groups. Handedness, ergonomics, and visual and haptic tumor characteristics resulted in distinct well-defined 3D force pyramid patterns. CONCLUSIONS Force pyramid fingerprints provide 3D spatial assessment displays of instrument force application during simulated tumor resection. Neurosurgeon force utilization and ergonomic data form a basis for understanding and modulating resident force

Force-Induced Rupture of a DNA Duplex: From Fundamentals to Force Sensors.

Science.gov (United States)

Mosayebi, Majid; Louis, Ard A; Doye, Jonathan P K; Ouldridge, Thomas E

2015-12-22

The rupture of double-stranded DNA under stress is a key process in biophysics and nanotechnology. In this article, we consider the shear-induced rupture of short DNA duplexes, a system that has been given new importance by recently designed force sensors and nanotechnological devices. We argue that rupture must be understood as an activated process, where the duplex state is metastable and the strands will separate in a finite time that depends on the duplex length and the force applied. Thus, the critical shearing force required to rupture a duplex depends strongly on the time scale of observation. We use simple models of DNA to show that this approach naturally captures the observed dependence of the force required to rupture a duplex within a given time on duplex length. In particular, this critical force is zero for the shortest duplexes, before rising sharply and then plateauing in the long length limit. The prevailing approach, based on identifying when the presence of each additional base pair within the duplex is thermodynamically unfavorable rather than allowing for metastability, does not predict a time-scale-dependent critical force and does not naturally incorporate a critical force of zero for the shortest duplexes. We demonstrate that our findings have important consequences for the behavior of a new force-sensing nanodevice, which operates in a mixed mode that interpolates between shearing and unzipping. At a fixed time scale and duplex length, the critical force exhibits a sigmoidal dependence on the fraction of the duplex that is subject to shearing.

Prediction of protein conformational freedom from distance constraints

NARCIS (Netherlands)

de Groot, B.L.; van Aalten, D.M.F.; Scheek, R.M.; Amadei, A; Vriend, G.; Berendsen, H.J.C.

1997-01-01

A method is presented that generates random protein structures that fulfil a set of upper and lower interatomic distance limits, These limits depend on distances measured in experimental structures and the strength of the interatomic interaction, Structural differences between generated structures

Students’ understanding of forces: Force diagrams on horizontal and inclined plane

Science.gov (United States)

Sirait, J.; Hamdani; Mursyid, S.

2018-03-01

This study aims to analyse students’ difficulties in understanding force diagrams on horizontal surfaces and inclined planes. Physics education students (pre-service physics teachers) of Tanjungpura University, who had completed a Basic Physics course, took a Force concept test which has six questions covering three concepts: an object at rest, an object moving at constant speed, and an object moving at constant acceleration both on a horizontal surface and on an inclined plane. The test is in a multiple-choice format. It examines the ability of students to select appropriate force diagrams depending on the context. The results show that 44% of students have difficulties in solving the test (these students only could solve one or two items out of six items). About 50% of students faced difficulties finding the correct diagram of an object when it has constant speed and acceleration in both contexts. In general, students could only correctly identify 48% of the force diagrams on the test. The most difficult task for the students in terms was identifying the force diagram representing forces exerted on an object on in an inclined plane.

Force-Time Entropy of Isometric Impulse.

Science.gov (United States)

Hsieh, Tsung-Yu; Newell, Karl M

2016-01-01

The relation between force and temporal variability in discrete impulse production has been viewed as independent (R. A. Schmidt, H. Zelaznik, B. Hawkins, J. S. Frank, & J. T. Quinn, 1979 ) or dependent on the rate of force (L. G. Carlton & K. M. Newell, 1993 ). Two experiments in an isometric single finger force task investigated the joint force-time entropy with (a) fixed time to peak force and different percentages of force level and (b) fixed percentage of force level and different times to peak force. The results showed that the peak force variability increased either with the increment of force level or through a shorter time to peak force that also reduced timing error variability. The peak force entropy and entropy of time to peak force increased on the respective dimension as the parameter conditions approached either maximum force or a minimum rate of force production. The findings show that force error and timing error are dependent but complementary when considered in the same framework with the joint force-time entropy at a minimum in the middle parameter range of discrete impulse.

Labor Force

Science.gov (United States)

Occupational Outlook Quarterly, 2010

2010-01-01

The labor force is the number of people aged 16 or older who are either working or looking for work. It does not include active-duty military personnel or institutionalized people, such as prison inmates. Quantifying this total supply of labor is a way of determining how big the economy can get. Labor force participation rates vary significantly…

Chin force in violin playing.

Science.gov (United States)

Obata, Satoshi; Kinoshita, Hiroshi

2012-06-01

Force generated between the left mandible of violinists and the chinrest of the violin was examined using a force-sensing chinrest developed in this study. A strain-gauge force sensor was built, and it was fixed between the violin's top plate and a chin cup. Fifteen professional/amateur violinists held the violin statically, played musical scales with different sound properties and sounding techniques, as well as an excerpt from a Max Bruch concerto. Peak and mean forces were evaluated for each task. In a separate experiment, lateral movement of the lower teeth due to different levels of voluntary chin force exertion was measured. Static holding forces observed were 15 and 22 N with and without the help of the left hand, respectively. Peak force increased from 16 N at soft dynamics to 20 N at strong dynamics during scales. The force further increased to 29 N with the use of vibrato technique and 35 N during shifts. Tempo and hand position did not affect the force. Playing a Bruch concerto induced a mean peak force of 52 N, ranging from 31 to 82 N among the violinists. The developed force-sensing chinrest could accurately record the generated chin force. Typical chin force to stabilize the violin during ordinary musical performance was less than 30 N, but it could momentarily exceed 50 N when technically demanding musical pieces were performed. The lateral shift of the mandible was fairly small (<0.4 mm) even with high chin-force exertion, possibly due to clenching of the molars.

Contact force structure and force chains in 3D sheared granular systems

Science.gov (United States)

Mair, Karen; Jettestuen, Espen; Abe, Steffen

2010-05-01

Faults often exhibit accumulations of granular debris, ground up to create a layer of rock flour or fault gouge separating the rigid fault walls. Numerical simulations and laboratory experiments of sheared granular materials, suggest that applied loads are preferentially transmitted across such systems by transient force networks that carry enhanced forces. The characterisation of such features is important since their nature and persistence almost certainly influence the macroscopic mechanical stability of these systems and potentially that of natural faults. 3D numerical simulations of granular shear are a valuable investigation tool since they allow us to track individual particle motions, contact forces and their evolution during applied shear, that are difficult to view directly in laboratory experiments or natural fault zones. In characterising contact force distributions, it is important to use global structure measures that allow meaningful comparisons of granular systems having e.g. different grain size distributions, as may be expected at different stages of a fault's evolution. We therefore use a series of simple measures to characterise the structure, such as distributions and correlations of contact forces that can be mapped onto a force network percolation problem as recently proposed by Ostojic and coworkers for 2D granular systems. This allows the use of measures from percolation theory to both define and characterise the force networks. We demonstrate the application of this method to 3D simulations of a sheared granular material. Importantly, we then compare our measure of the contact force structure with macroscopic frictional behaviour measured at the boundaries of our model to determine the influence of the force networks on macroscopic mechanical stability.

Force induced DNA melting

International Nuclear Information System (INIS)

Santosh, Mogurampelly; Maiti, Prabal K

2009-01-01

When pulled along the axis, double-strand DNA undergoes a large conformational change and elongates by roughly twice its initial contour length at a pulling force of about 70 pN. The transition to this highly overstretched form of DNA is very cooperative. Applying a force perpendicular to the DNA axis (unzipping), double-strand DNA can also be separated into two single-stranded DNA, this being a fundamental process in DNA replication. We study the DNA overstretching and unzipping transition using fully atomistic molecular dynamics (MD) simulations and argue that the conformational changes of double-strand DNA associated with either of the above mentioned processes can be viewed as force induced DNA melting. As the force at one end of the DNA is increased the DNA starts melting abruptly/smoothly above a critical force depending on the pulling direction. The critical force f m , at which DNA melts completely decreases as the temperature of the system is increased. The melting force in the case of unzipping is smaller compared to the melting force when the DNA is pulled along the helical axis. In the case of melting through unzipping, the double-strand separation has jumps which correspond to the different energy minima arising due to sequence of different base pairs. The fraction of Watson-Crick base pair hydrogen bond breaking as a function of force does not show smooth and continuous behavior and consists of plateaus followed by sharp jumps.

Attainment and retention of force moderation following laparoscopic resection training with visual force feedback.

Science.gov (United States)

Hernandez, Rafael; Onar-Thomas, Arzu; Travascio, Francesco; Asfour, Shihab

2017-11-01

Laparoscopic training with visual force feedback can lead to immediate improvements in force moderation. However, the long-term retention of this kind of learning and its potential decay are yet unclear. A laparoscopic resection task and force sensing apparatus were designed to assess the benefits of visual force feedback training. Twenty-two male university students with no previous experience in laparoscopy underwent relevant FLS proficiency training. Participants were randomly assigned to either a control or treatment group. Both groups trained on the task for 2 weeks as follows: initial baseline, sixteen training trials, and post-test immediately after. The treatment group had visual force feedback during training, whereas the control group did not. Participants then performed four weekly test trials to assess long-term retention of training. Outcomes recorded were maximum pulling and pushing forces, completion time, and rated task difficulty. Extreme maximum pulling force values were tapered throughout both the training and retention periods. Average maximum pushing forces were significantly lowered towards the end of training and during retention period. No significant decay of applied force learning was found during the 4-week retention period. Completion time and rated task difficulty were higher during training, but results indicate that the difference eventually fades during the retention period. Significant differences in aptitude across participants were found. Visual force feedback training improves on certain aspects of force moderation in a laparoscopic resection task. Results suggest that with enough training there is no significant decay of learning within the first month of the retention period. It is essential to account for differences in aptitude between individuals in this type of longitudinal research. This study shows how an inexpensive force measuring system can be used with an FLS Trainer System after some retrofitting. Surgical

Capillary force between wetted nanometric contacts and its application to atomic force microscopy.

Science.gov (United States)

Crassous, Jérôme; Ciccotti, Matteo; Charlaix, Elisabeth

2011-04-05

We extend to the case of perfect wetting the exact calculation of Orr et al. (J. Fluid. Mech. 1975, 67, 723) for a pendular ring connecting two dry surfaces. We derive an approximate analytical expression for the capillary force between two highly curved surfaces covered by a wetting liquid film. The domain of validity of this expression is assessed and extended by a custom-made numerical simulation based on the full exact mathematical description. In the case of attractive liquid-solid van der Waals interactions, the capillary force increases monotonically with decreasing vapor pressure up to several times its saturation value. This accurate description of the capillary force makes it possible to estimate the adhesion force between wet nanoparticles; it can also be used to quantitatively interpret pull-off forces measured by atomic force microscopy.

Development of an application-oriented multi-frequency eddy current procedure for the outer reactor vessel- and store vessel wall of the SNR-300

International Nuclear Information System (INIS)

Hoeft, E.

1991-08-01

The following companies participated in the development of the application oriented multi-frequency eddy current procedure for the outer reactor vessel- and store vesselwall of the SNR-300: Interatom GmbH (coordinator), MAN-Energie GmbH (ME, subcontractor), Fraunhofer Institut IzfP, own promotion project). The precisely defined work packages of the participating companies Interatom and IzfP were supported by the Federal Minister for Research and Technology in separate promotion project. The present report comprises the work performed at Interatom and ME for developing the manipulator and the subsystems. The development aim was reached largely. Manufactoring of the manipulator with all necessary peripherical equipments was finished and accepted in partial function tests at the manufacturer. Tests at the Interatom teststand however with the fully mounted systems at ambient- and reactor temperature could not be done within the appropriated timeschedule and finance frame. (orig.) [de

Discrete Lattice effect of various forcing methods of body force on immersed Boundary-Lattice Boltzmann method

Energy Technology Data Exchange (ETDEWEB)

Son, Sung Wan; Ha, Man Yeong; Yoon, Hyun Sik [Pusan National University, Busan (Korea, Republic of); Jeong, Hae Kwon [POSCO, Pohang (Korea, Republic of); Balachandar, S. [University of Florida, Florida (United States)

2013-02-15

We investigate the discrete lattice effect of various forcing methods in the lattice Boltzmann method (LBM) to include the body force obtained from the immersed boundary method (IBM). In the immersed boundary lattice Boltzmann method (IB-LBM), the LBM needs a forcing method to involve the body force on a forcing point near the immersed boundary that is calculated by IBM. The proper forcing method in LBM is derived to include the body force, which appears to resolve problems such as multiphase flow, non-ideal gas behavior, etc. Many researchers have adopted different forcing methods in LBM to involve the body force from IBM, even when they solved similar problems. However, it is necessary to evaluate the discrete lattice effect, which originates from different forcing methods in LBM, to include the effect of the body force from IBM on the results. Consequently, in this study, a rigorous analysis of the discrete lattice effect for different forcing methods in IB-LBM is performed by solving various problems.

Discrete Lattice effect of various forcing methods of body force on immersed Boundary-Lattice Boltzmann method

International Nuclear Information System (INIS)

Son, Sung Wan; Ha, Man Yeong; Yoon, Hyun Sik; Jeong, Hae Kwon; Balachandar, S.

2013-01-01

We investigate the discrete lattice effect of various forcing methods in the lattice Boltzmann method (LBM) to include the body force obtained from the immersed boundary method (IBM). In the immersed boundary lattice Boltzmann method (IB-LBM), the LBM needs a forcing method to involve the body force on a forcing point near the immersed boundary that is calculated by IBM. The proper forcing method in LBM is derived to include the body force, which appears to resolve problems such as multiphase flow, non-ideal gas behavior, etc. Many researchers have adopted different forcing methods in LBM to involve the body force from IBM, even when they solved similar problems. However, it is necessary to evaluate the discrete lattice effect, which originates from different forcing methods in LBM, to include the effect of the body force from IBM on the results. Consequently, in this study, a rigorous analysis of the discrete lattice effect for different forcing methods in IB-LBM is performed by solving various problems.

High-speed force mapping on living cells with a small cantilever atomic force microscope

International Nuclear Information System (INIS)

Braunsmann, Christoph; Seifert, Jan; Rheinlaender, Johannes; Schäffer, Tilman E.

2014-01-01

The imaging speed of the wide-spread force mapping mode for quantitative mechanical measurements on soft samples in liquid with the atomic force microscope (AFM) is limited by the bandwidth of the z-scanner and viscous drag forces on the cantilever. Here, we applied high-speed, large scan-range atomic force microscopy and small cantilevers to increase the speed of force mapping by ≈10−100 times. This allowed resolving dynamic processes on living mouse embryonic fibroblasts. Cytoskeleton reorganization during cell locomotion, growth of individual cytoskeleton fibers, cell blebbing, and the formation of endocytic pits in the cell membrane were observed. Increasing the force curve rate from 2 to 300 Hz increased the measured apparent Young's modulus of the cells by about 10 times, which facilitated force mapping measurements at high speed

High-speed force mapping on living cells with a small cantilever atomic force microscope

Energy Technology Data Exchange (ETDEWEB)

Braunsmann, Christoph; Seifert, Jan; Rheinlaender, Johannes; Schäffer, Tilman E., E-mail: Tilman.Schaeffer@uni-tuebingen [Institute of Applied Physics and LISA, University of Tübingen, Auf der Morgenstelle 10, 72076 Tübingen (Germany)

2014-07-15

The imaging speed of the wide-spread force mapping mode for quantitative mechanical measurements on soft samples in liquid with the atomic force microscope (AFM) is limited by the bandwidth of the z-scanner and viscous drag forces on the cantilever. Here, we applied high-speed, large scan-range atomic force microscopy and small cantilevers to increase the speed of force mapping by ≈10−100 times. This allowed resolving dynamic processes on living mouse embryonic fibroblasts. Cytoskeleton reorganization during cell locomotion, growth of individual cytoskeleton fibers, cell blebbing, and the formation of endocytic pits in the cell membrane were observed. Increasing the force curve rate from 2 to 300 Hz increased the measured apparent Young's modulus of the cells by about 10 times, which facilitated force mapping measurements at high speed.

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

Forced harmonic oscillations of the Euler-Bernoulli beam with resistance forces

Directory of Open Access Journals (Sweden)

Yuriy S. Krutiy

2015-12-01

Full Text Available The important issue in the oscillation theory is the study of resistance impact on oscillatory processes. Unlike the calculations of free oscillations, that reside in determination of natural frequencies and waveshapes and unlike the calculations of forced oscillations far away from resonance, that are performing without reference to friction, the oscillations researches in vicinity of resonance need accounting of friction forces. Special attention is paid to forced transverse fluctuations in beams as an important technical problem for engineering and building. Aim: The aim of the work is constructing of analytical solution of the problem of forced transverse vibrations of a straight rod with constant cross-section, which is under the influence of the harmonic load taking into account external and internal resistances. Materials and Methods: The internal resistance is taken into account using the corrected hypothesis of Kelvin-Voigt which reflects the empirically proven fact about the frequency-independent internal friction in the material. The external friction is also considered as frequency-independent. Results: An analytical solution is built for the differential equation of forced transverse oscillations of a straight rod with constant cross-section which is under the influence of the harmonic load taking into account external and internal resistances. As a result, analytically derived formulae are presented which describe the forced dynamic oscillations and the dynamic internal forces due to the harmonic load applied to the rod thus reducing the problem with any possible fixed ends to the search of unknown integration constants represented in a form of initial parameters.

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

Mechanisms explaining Coulomb's electric force & Lorentz's magnetic force from a classical perspective

Science.gov (United States)

Correnti, Dan S.

2018-06-01

The underlying mechanisms of the fundamental electric and magnetic forces are not clear in current models; they are mainly mathematical constructs. This study examines the underlying physics from a classical viewpoint to explain Coulomb's electric force and Lorentz's magnetic force. This is accomplished by building upon already established physics. Although no new physics is introduced, extension of existing models is made by close examination. We all know that an electron carries a bound cylindrical B-field (CBF) as it translates. Here, we show how the electron CBF plays an intrinsic role in the generation of the electric and magnetic forces.

Athermalization in atomic force microscope based force spectroscopy using matched microstructure coupling.

Science.gov (United States)

Torun, H; Finkler, O; Degertekin, F L

2009-07-01

The authors describe a method for athermalization in atomic force microscope (AFM) based force spectroscopy applications using microstructures that thermomechanically match the AFM probes. The method uses a setup where the AFM probe is coupled with the matched structure and the displacements of both structures are read out simultaneously. The matched structure displaces with the AFM probe as temperature changes, thus the force applied to the sample can be kept constant without the need for a separate feedback loop for thermal drift compensation, and the differential signal can be used to cancel the shift in zero-force level of the AFM.

Grip Force and 3D Push-Pull Force Estimation Based on sEMG and GRNN

Directory of Open Access Journals (Sweden)

Changcheng Wu

2017-06-01

Full Text Available The estimation of the grip force and the 3D push-pull force (push and pull force in the three dimension space from the electromyogram (EMG signal is of great importance in the dexterous control of the EMG prosthetic hand. In this paper, an action force estimation method which is based on the eight channels of the surface EMG (sEMG and the Generalized Regression Neural Network (GRNN is proposed to meet the requirements of the force control of the intelligent EMG prosthetic hand. Firstly, the experimental platform, the acquisition of the sEMG, the feature extraction of the sEMG and the construction of GRNN are described. Then, the multi-channels of the sEMG when the hand is moving are captured by the EMG sensors attached on eight different positions of the arm skin surface. Meanwhile, a grip force sensor and a three dimension force sensor are adopted to measure the output force of the human's hand. The characteristic matrix of the sEMG and the force signals are used to construct the GRNN. The mean absolute value and the root mean square of the estimation errors, the correlation coefficients between the actual force and the estimated force are employed to assess the accuracy of the estimation. Analysis of variance (ANOVA is also employed to test the difference of the force estimation. The experiments are implemented to verify the effectiveness of the proposed estimation method and the results show that the output force of the human's hand can be correctly estimated by using sEMG and GRNN method.

Mechanical design and force calibration of dual-axis micromechanical probe for friction force microscopy

International Nuclear Information System (INIS)

Fukuzawa, Kenji; Terada, Satoshi; Shikida, Mitsuhiro; Amakawa, Hiroaki; Zhang, Hedong; Mitsuya, Yasunaga

2007-01-01

A dual-axis micromechanical probe that combines a double cantilever and torsion beams is presented. This probe can reduce the mechanical cross-talk between the lateral and vertical force detections. In addition, dual-axis forces can be detected by measuring the dual-axis displacement of the probe end using the optical lever-based method used in conventional friction force microscopes (FFMs). In this paper, the mechanical design of the probe, the details of the fabrication method, FFM performance, and calibration of the friction force are discussed. The mechanical design and the microfabrication method for probes that can provide a force resolution of the order of 1 nN without mechanical cross-talk are presented. Calibration of the lateral force signal is possible by using the relationship between the lateral force and the piezodisplacement at the onset of the probe scanning. The micromechanical probe enables simultaneous and independent detection of atomic and friction forces. This leads to accurate investigation of nanotribological phenomena and visualization of the distribution of the friction properties, which helps the identification of the material properties

Force Structure. DOD Needs to Integrate Data into Its Force Identification Process and Examine Options to Meet Requirements for High-Demand Support Forces

National Research Council Canada - National Science Library

2006-01-01

...) will continue to meet its requirements using an all-volunteer force. The Army, in particular, has faced continuing demand for large numbers of forces, especially for forces with support skills...

Lattice dynamics and vibration modes frequencies for substitutional impurities in InP, GaP and ZnS

International Nuclear Information System (INIS)

Vandevyver, Michel; Plumelle, Pierre.

1977-01-01

The model used is a rigid-ion model with an effective ionic charge including general interactions for nearest and next nearest neighbours and long range Coulomb interactions. It provides a good fit with available neutron data and with infrared absorption results for InP. In this model, no hypothesis is made a priori on the interatomic forces and the eleven parameters given by the model are used. A mathematical model which employs a Green's function technique in the mass defect and the nearest neighbour force constant defect approximation is used to calculate the lattice dynamics of the imperfect crystal. The frequencies of the local modes, the gap modes and the band modes, are given for isolated substitutional impurities. The same calculation is achieved for GaP and ZnS and the results are compared with infrared data [fr

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...

Force Dynamics of Verb Complementation

Directory of Open Access Journals (Sweden)

Jacek Woźny

2015-12-01

Full Text Available Force Dynamics of Verb Complementation The concepts of motion and force are both extensively discussed in cognitive linguistics literature. But they are discussed separately. The first usually in the context of ‘motion situations’ (Talmy, Slobin, Zlatev, the other as part of the Force Dynamics framework, which was developed by Talmy. The aim of this paper is twofold: first, to argue that the concepts of force and motion should not be isolated but considered as two inseparable parts of force-motion events. The second goal is to prove that the modified Force Dynamics (force-motion framework can be used for precise characterization of the verb complementation patterns. To this end, a random sample of 50 sentences containing the verb ‘went’ is analyzed, demonstrating the differences between the categories of intensive and intransitive complementation with respect to the linguistically coded parameters of force and motion.

Feasibility of novel four degrees of freedom capacitive force sensor for skin interface force

Directory of Open Access Journals (Sweden)

Murakami Chisato

2012-11-01

Full Text Available Abstract Background The objective of our study was to develop a novel capacitive force sensor that enables simultaneous measurements of yaw torque around the pressure axis and normal force and shear forces at a single point for the purpose of elucidating pressure ulcer pathogenesis and establishing criteria for selection of cushions and mattresses. Methods Two newly developed sensors (approximately 10 mm×10 mm×5 mm (10 and 20 mm×20 mm×5 mm (20 were constructed from silicone gel and four upper and lower electrodes. The upper and lower electrodes had sixteen combinations that had the function as capacitors of parallel plate type. The full scale (FS ranges of force/torque were defined as 0–1.5 N, –0.5-0.5 N and −1.5-1.5 N mm (10 and 0–8.7 N, –2.9-2.9 N and −16.8-16.8 N mm (20 in normal force, shear forces and yaw torque, respectively. The capacitances of sixteen capacitors were measured by an LCR meter (AC1V, 100 kHz when displacements corresponding to four degrees of freedom (DOF forces within FS ranges were applied to the sensor. The measurement was repeated three times in each displacement condition (10 only. Force/torque were calculated by corrected capacitance and were evaluated by comparison to theoretical values and standard normal force measured by an universal tester. Results In measurements of capacitance, the coefficient of variation was 3.23% (10. The Maximum FS errors of estimated force/torque were less than or equal to 10.1 (10 and 16.4% (20, respectively. The standard normal forces were approximately 1.5 (10 and 9.4 N (20 when pressure displacements were 3 (10 and 2 mm (20, respectively. The estimated normal forces were approximately 1.5 (10 and 8.6 N (10 in the same condition. Conclusions In this study, we developed a new four DOF force sensor for measurement of force/torque that occur between the skin and a mattress. In measurement of capacitance, the repeatability was good and it was confirmed that the sensor had

Forced magnetic reconnection

Science.gov (United States)

Vekstein, G.

2017-10-01

This is a tutorial-style selective review explaining basic concepts of forced magnetic reconnection. It is based on a celebrated model of forced reconnection suggested by J. B. Taylor. The standard magnetohydrodynamic (MHD) theory of this process has been pioneered by Hahm & Kulsrud (Phys. Fluids, vol. 28, 1985, p. 2412). Here we also discuss several more recent developments related to this problem. These include energetics of forced reconnection, its Hall-mediated regime, and nonlinear effects with the associated onset of the secondary tearing (plasmoid) instability.

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.

Ponderomotive Forces in Cosmos

Science.gov (United States)

Lundin, R.; Guglielmi, A.

2006-12-01

This review is devoted to ponderomotive forces and their importance for the acceleration of charged particles by electromagnetic waves in space plasmas. Ponderomotive forces constitute time-averaged nonlinear forces acting on a media in the presence of oscillating electromagnetic fields. Ponderomotive forces represent a useful analytical tool to describe plasma acceleration. Oscillating electromagnetic fields are also related with dissipative processes, such as heating of particles. Dissipative processes are, however, left outside these discussions. The focus will be entirely on the (conservative) ponderomotive forces acting in space plasmas. The review consists of seven sections. In Section 1, we explain the rational for using the auxiliary ponderomotive forces instead of the fundamental Lorentz force for the study of particle motions in oscillating fields. In Section 2, we present the Abraham, Miller, Lundin-Hultqvist and Barlow ponderomotive forces, and the Bolotovsky-Serov ponderomotive drift. The hydrodynamic, quasi-hydrodynamic, and ‘`test-particle’' approaches are used for the study of ponderomotive wave-particle interaction. The problems of self-consistency and regularization are discussed in Section 3. The model of static balance of forces (Section 4) exemplifies the interplay between thermal, gravitational and ponderomotive forces, but it also introduces a set of useful definitions, dimensionless parameters, etc. We analyze the Alfvén and ion cyclotron waves in static limit with emphasis on the specific distinction between traveling and standing waves. Particular attention has been given to the impact of traveling Alfvén waves on the steady state anabatic wind that blows over the polar regions (Section~5). We demonstrate the existence of a wave-induced cold anabatic wind. We also show that, at a critical point, the ponderomotive acceleration of the wind is a factor of 3 greater than the thermal acceleration. Section 6 demonstrates various

Air Force Senior Leaders

Science.gov (United States)

Force TV Radio Week in Photos About Us Air Force Senior Leaders SECAF CSAF CMSAF Biographies Adjunct Professors Senior Mentor Biographies Fact Sheets Commander's Call Topics CCT Archive CSAF Reading List 2017 Media Sites Site Registration Contact Us Search AF.mil: Home > About Us > Air Force Senior Leaders

Quantitative 3D-KPFM imaging with simultaneous electrostatic force and force gradient detection

International Nuclear Information System (INIS)

Collins, L; Rodriguez, B J; Okatan, M B; Li, Q; Kravenchenko, I I; Lavrik, N V; Kalinin, S V; Jesse, S

2015-01-01

Kelvin probe force microscopy (KPFM) is a powerful characterization technique for imaging local electrochemical and electrostatic potential distributions and has been applied across a broad range of materials and devices. Proper interpretation of the local KPFM data can be complicated, however, by convolution of the true surface potential under the tip with additional contributions due to long range capacitive coupling between the probe (e.g. cantilever, cone, tip apex) and the sample under test. In this work, band excitation (BE)-KPFM is used to negate such effects. In contrast to traditional single frequency KPFM, multifrequency BE-KPFM is shown to afford dual sensitivity to both the electrostatic force and the force gradient detection, analogous to simultaneous amplitude modulated and frequency modulated KPFM imaging. BE-KPFM is demonstrated on a Pt/Au/SiO x test structure and electrostatic force gradient detection is found to lead to an improved lateral resolution compared to electrostatic force detection. Finally, a 3D-KPFM imaging technique is developed. Force volume (FV) BE-KPFM allows the tip–sample distance dependence of the electrostatic interactions (force and force gradient) to be recorded at each point across the sample surface. As such, FVBE-KPFM provides a much needed pathway towards complete tip–sample capacitive de-convolution in KPFM measurements and will enable quantitative surface potential measurements with nanoscale resolution. (paper)

Force transmission in epithelial tissues.

Science.gov (United States)

Vasquez, Claudia G; Martin, Adam C

2016-03-01

In epithelial tissues, cells constantly generate and transmit forces between each other. Forces generated by the actomyosin cytoskeleton regulate tissue shape and structure and also provide signals that influence cells' decisions to divide, die, or differentiate. Forces are transmitted across epithelia because cells are mechanically linked through junctional complexes, and forces can propagate through the cell cytoplasm. Here, we review some of the molecular mechanisms responsible for force generation, with a specific focus on the actomyosin cortex and adherens junctions. We then discuss evidence for how these mechanisms promote cell shape changes and force transmission in tissues. © 2016 Wiley Periodicals, Inc.

Forces in General Relativity

Science.gov (United States)

Ridgely, Charles T.

2010-01-01

Many textbooks dealing with general relativity do not demonstrate the derivation of forces in enough detail. The analyses presented herein demonstrate straightforward methods for computing forces by way of general relativity. Covariant divergence of the stress-energy-momentum tensor is used to derive a general expression of the force experienced…

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

Analysis of the tractive force pattern on a knot by force measurement during laparoscopic knot tying.

Science.gov (United States)

Takayasu, Kenta; Yoshida, Kenji; Kinoshita, Hidefumi; Yoshimoto, Syunsuke; Oshiro, Osamu; Matsuda, Tadashi

2017-07-19

Quantifying surgical skills assists novice surgeons when learning operative techniques. We measured the interaction force at a ligation point and clarified the features of the force pattern among surgeons with different skill levels during laparoscopic knot tying. Forty-four surgeons were divided into three groups based on experience: 13 novice (0-5 years), 16 intermediate (6-15 years), and 15 expert (16-30 years). To assess the tractive force direction and volume during knot tying, we used a sensor that measures six force-torque values (x-axis: Fx, y-axis: Fy, z-axis: Fz, and xy-axis: Fxy) attached to a slit Penrose drain. All participants completed one double knot and five single knot sequences. We recorded completion time, force volume (FV), maximum force (MF), time over 1.5 N, duration of non-zero force, and percentage time when vertical force exceeded horizontal force (PTz). There was a significant difference between groups for completion time (p = 0.007); FV (total: p = 0.002; Fx: p = 0.004, Fy: p = 0.007, Fxy: p = 0.004, Fz: p force (p = 0.029); and PTz (p force pattern at the ligation point during suturing by surgeons with three levels of experience using a force measurement system. We revealed that both force volume and force direction differed depending on surgeons' skill level during knot tying. Copyright © 2017. Published by Elsevier Inc.

Intermolecular and surface forces

CERN Document Server

Israelachvili, Jacob N

2011-01-01

This reference describes the role of various intermolecular and interparticle forces in determining the properties of simple systems such as gases, liquids and solids, with a special focus on more complex colloidal, polymeric and biological systems. The book provides a thorough foundation in theories and concepts of intermolecular forces, allowing researchers and students to recognize which forces are important in any particular system, as well as how to control these forces. This third edition is expanded into three sections and contains five new chapters over the previous edition.· starts fr

Projective absoluteness for Sacks forcing

NARCIS (Netherlands)

Ikegami, D.

2009-01-01

We show that Sigma(1)(3)-absoluteness for Sacks forcing is equivalent to the nonexistence of a Delta(1)(2) Bernstein set. We also show that Sacks forcing is the weakest forcing notion among all of the preorders that add a new real with respect to Sigma(1)(3) forcing absoluteness.

OOTW Force Design Tools

Energy Technology Data Exchange (ETDEWEB)

Bell, R.E.; Hartley, D.S.III; Packard, S.L.

1999-05-01

This report documents refined requirements for tools to aid the process of force design in Operations Other Than War (OOTWs). It recommends actions for the creation of one tool and work on other tools relating to mission planning. It also identifies the governmental agencies and commands with interests in each tool, from whom should come the user advisory groups overseeing the respective tool development activities. The understanding of OOTWs and their analytical support requirements has matured to the point where action can be taken in three areas: force design, collaborative analysis, and impact analysis. While the nature of the action and the length of time before complete results can be expected depends on the area, in each case the action should begin immediately. Force design for OOTWs is not a technically difficult process. Like force design for combat operations, it is a process of matching the capabilities of forces against the specified and implied tasks of the operation, considering the constraints of logistics, transport and force availabilities. However, there is a critical difference that restricts the usefulness of combat force design tools for OOTWs: the combat tools are built to infer non-combat capability requirements from combat capability requirements and cannot reverse the direction of the inference, as is required for OOTWs. Recently, OOTWs have played a larger role in force assessment, system effectiveness and tradeoff analysis, and concept and doctrine development and analysis. In the first Quadrennial Defense Review (QDR), each of the Services created its own OOTW force design tool. Unfortunately, the tools address different parts of the problem and do not coordinate the use of competing capabilities. These tools satisfied the immediate requirements of the QDR, but do not provide a long-term cost-effective solution.

Adhesion force imaging in air and liquid by adhesion mode atomic force microscopy

NARCIS (Netherlands)

van der Werf, Kees; Putman, C.A.J.; Putman, Constant A.; de Grooth, B.G.; Greve, Jan

1994-01-01

A new imaging mode for the atomic force microscope(AFM), yielding images mapping the adhesion force between tip and sample, is introduced. The adhesion mode AFM takes a force curve at each pixel by ramping a piezoactuator, moving the silicon‐nitride tip up and down towards the sample. During the

Beyond-proximity-force-approximation Casimir force between two spheres at finite temperature

Science.gov (United States)

Bimonte, Giuseppe

2018-04-01

A recent experiment [J. L. Garrett, D. A. T. Somers, and J. N. Munday, Phys. Rev. Lett. 120, 040401 (2018), 10.1103/PhysRevLett.120.040401] measured for the first time the gradient of the Casimir force between two gold spheres at room temperature. The theoretical analysis of the data was carried out using the standard proximity force approximation (PFA). A fit of the data, using a parametrization of the force valid for the sphere-plate geometry, was used by the authors to place a bound on deviations from PFA. Motivated by this work, we compute the Casimir force between two gold spheres at finite temperature. The semianalytic formula for the Casimir force that we construct is valid for all separations, and can be easily used to interpret future experiments in both the sphere-plate and sphere-sphere configurations. We describe the correct parametrization of the corrections to PFA for two spheres that should be used in data analysis.

Effect of fatigue on force production and force application technique during repeated sprints.

Science.gov (United States)

Morin, Jean-Benoit; Samozino, Pierre; Edouard, Pascal; Tomazin, Katja

2011-10-13

We investigated the changes in the technical ability of force application/orientation against the ground vs. the physical capability of total force production after a multiple-set repeated sprints series. Twelve male physical education students familiar with sprint running performed four sets of five 6-s sprints (24s of passive rest between sprints, 3min between sets). Sprints were performed from a standing start on an instrumented treadmill, allowing the computation of vertical (F(V)), net horizontal (F(H)) and total (F(Tot)) ground reaction forces for each step. Furthermore, the ratio of forces was calculated as RF=F(H)F(Tot)(-1), and the index of force application technique (D(RF)) representing the decrement in RF with increase in speed was computed as the slope of the linear RF-speed relationship. Changes between pre- (first two sprints) and post-fatigue (last two sprints) were tested using paired t-tests. Performance decreased significantly (e.g. top speed decreased by 15.7±5.4%; Pmultiple-set repeated sprint series, both the total force production capability and the technical ability to apply force effectively against the ground are altered, the latter to a larger extent than the former. Copyright © 2011 Elsevier Ltd. All rights reserved.

Method of Calibrating a Force Balance

Science.gov (United States)

Parker, Peter A. (Inventor); Rhew, Ray D. (Inventor); Johnson, Thomas H. (Inventor); Landman, Drew (Inventor)

2015-01-01

A calibration system and method utilizes acceleration of a mass to generate a force on the mass. An expected value of the force is calculated based on the magnitude and acceleration of the mass. A fixture is utilized to mount the mass to a force balance, and the force balance is calibrated to provide a reading consistent with the expected force determined for a given acceleration. The acceleration can be varied to provide different expected forces, and the force balance can be calibrated for different applied forces. The acceleration may result from linear acceleration of the mass or rotational movement of the mass.

Scratch direction and threshold force in nanoscale scratching using atomic force microscopes

Energy Technology Data Exchange (ETDEWEB)

Tseng, Ampere A., E-mail: ampere.tseng@asu.edu [Department of Materials Science and Engineering, National Taiwan University of Science and Technology, Taipei 106, Taiwan (China); Kuo, Chung-Feng Jeffrey; Jou, Shyankay [Department of Materials Science and Engineering, National Taiwan University of Science and Technology, Taipei 106, Taiwan (China); Nishimura, Shinya; Shirakashi, Jun-ichi [Department of Electrical and Electronic Engineering, Tokyo University of Agriculture and Technology, Tokyo 184-8588 (Japan)

2011-09-01

The nanoscaled tip in an AFM (atomic force microscope) has become an effective scratching tool for material removing in nanofabrication. In this article, the characteristics of using a diamond-coated pyramidal tip to scratch Ni-Fe thin film surfaces was experimentally investigated with the focus on the evaluation of the influence of the scratch or scan direction on the final shape of the scratched geometry as well as the applied scratch force. Results indicated that both the scratched profile and the scratch force were greatly affected by the scratch direction. It has been found that, to minimize the formation of protuberances along the groove sides and to have a better control of the scratched geometry, the tip face should be perpendicular to the scratching direction, which is also known as orthogonal cutting condition. To demonstrate the present findings, three groove patterns have been scratched with the tip face perpendicular to the scratching direction and very little amount of protuberances was observed. The threshold scratch force was also predicted based on the Hertz contact theory. Without considering the surface friction and adhesive forces between the tip and substrate, the threshold force predicted was twice smaller than the measurement value. Finally, recommendations for technical improvement and research focuses are provided.

Scratch direction and threshold force in nanoscale scratching using atomic force microscopes

International Nuclear Information System (INIS)

Tseng, Ampere A.; Kuo, Chung-Feng Jeffrey; Jou, Shyankay; Nishimura, Shinya; Shirakashi, Jun-ichi

2011-01-01

The nanoscaled tip in an AFM (atomic force microscope) has become an effective scratching tool for material removing in nanofabrication. In this article, the characteristics of using a diamond-coated pyramidal tip to scratch Ni-Fe thin film surfaces was experimentally investigated with the focus on the evaluation of the influence of the scratch or scan direction on the final shape of the scratched geometry as well as the applied scratch force. Results indicated that both the scratched profile and the scratch force were greatly affected by the scratch direction. It has been found that, to minimize the formation of protuberances along the groove sides and to have a better control of the scratched geometry, the tip face should be perpendicular to the scratching direction, which is also known as orthogonal cutting condition. To demonstrate the present findings, three groove patterns have been scratched with the tip face perpendicular to the scratching direction and very little amount of protuberances was observed. The threshold scratch force was also predicted based on the Hertz contact theory. Without considering the surface friction and adhesive forces between the tip and substrate, the threshold force predicted was twice smaller than the measurement value. Finally, recommendations for technical improvement and research focuses are provided.

Force transmissibility versus displacement transmissibility

Science.gov (United States)

Lage, Y. E.; Neves, M. M.; Maia, N. M. M.; Tcherniak, D.

2014-10-01

It is well-known that when a single-degree-of-freedom (sdof) system is excited by a continuous motion of the foundation, the force transmissibility, relating the force transmitted to the foundation to the applied force, equals the displacement transmissibility. Recent developments in the generalization of the transmissibility to multiple-degree-of-freedom (mdof) systems have shown that similar simple and direct relations between both types of transmissibility do not appear naturally from the definitions, as happens in the sdof case. In this paper, the authors present their studies on the conditions under which it is possible to establish a relation between force transmissibility and displacement transmissibility for mdof systems. As far as the authors are aware, such a relation is not currently found in the literature, which is justified by being based on recent developments in the transmissibility concept for mdof systems. Indeed, it does not appear naturally, but the authors observed that the needed link is present when the displacement transmissibility is obtained between the same coordinates where the applied and reaction forces are considered in the force transmissibility case; this implies that the boundary conditions are not exactly the same and instead follow some rules. This work presents a formal derivation of the explicit relation between the force and displacement transmissibilities for mdof systems, and discusses its potential and limitations. The authors show that it is possible to obtain the displacement transmissibility from measured forces, and the force transmissibility from measured displacements, opening new perspectives, for example, in the identification of applied or transmitted forces. With this novel relation, it becomes possible, for example, to estimate the force transmissibility matrix with the structure off its supports, in free boundary conditions, and without measuring the forces. As far as force identification is concerned, this

Force generation by titin folding.

Science.gov (United States)

Mártonfalvi, Zsolt; Bianco, Pasquale; Naftz, Katalin; Ferenczy, György G; Kellermayer, Miklós

2017-07-01

Titin is a giant protein that provides elasticity to muscle. As the sarcomere is stretched, titin extends hierarchically according to the mechanics of its segments. Whether titin's globular domains unfold during this process and how such unfolded domains might contribute to muscle contractility are strongly debated. To explore the force-dependent folding mechanisms, here we manipulated skeletal-muscle titin molecules with high-resolution optical tweezers. In force-clamp mode, after quenching the force (force trace contained rapid fluctuations and a gradual increase of average force, indicating that titin can develop force via dynamic transitions between its structural states en route to the native conformation. In 4 M urea, which destabilizes H-bonds hence the consolidated native domain structure, the net force increase disappeared but the fluctuations persisted. Thus, whereas net force generation is caused by the ensemble folding of the elastically-coupled domains, force fluctuations arise due to a dynamic equilibrium between unfolded and molten-globule states. Monte-Carlo simulations incorporating a compact molten-globule intermediate in the folding landscape recovered all features of our nanomechanics results. The ensemble molten-globule dynamics delivers significant added contractility that may assist sarcomere mechanics, and it may reduce the dissipative energy loss associated with titin unfolding/refolding during muscle contraction/relaxation cycles. © 2017 The Protein Society.

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

Basing the US Air Force Special Operations Forces.

Science.gov (United States)

1986-12-01

Headquarters Military Airlift Command (Hq MAC/XONP), Scott AFB, IL, July 8, 1986. 2. Daskin , Mark S. " A Maximum Expected Covering Location Model: Formulation...7942 m~ I SAIR F ORME S ECI L PE DO S CHOOL’ 1 OF EMNIEERINO A E KCRAUS DEC 66 RFIT/OOLOS/MN-6 IUCLRS SIFIE F.’G1F/OI L Ehhmhmmhhhhhhl smomhmhmhhum...Ap a . %Ř ~ ,~, ~~%9~ q%%~ * % . i %%~ . ~* - out; ’-ILE Copy / AFIT/GOR/OS/86D-6 II BASING THE US AIR FORCE SPECIAL OPERATIONS FORCES THESIS Mark E

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...

Relativistic Linear Restoring Force

Science.gov (United States)

Clark, D.; Franklin, J.; Mann, N.

2012-01-01

We consider two different forms for a relativistic version of a linear restoring force. The pair comes from taking Hooke's law to be the force appearing on the right-hand side of the relativistic expressions: d"p"/d"t" or d"p"/d["tau"]. Either formulation recovers Hooke's law in the non-relativistic limit. In addition to these two forces, we…

Molecular dynamics simulations of the interaction between 60 deg. dislocation and self-interstitial cluster in silicon

International Nuclear Information System (INIS)

Jing Yuhang; Meng Qingyuan; Zhao Wei

2009-01-01

Molecular dynamics simulations are performed to investigate the interaction between 60 deg. shuffle dislocation and tetrainterstitial (I 4 ) cluster in silicon, using Stillinger-Weber (SW) potential to calculate the interatomic forces. Based on Parrinello-Rahman method, shear stress is exerted on the model to move the dislocation. Simulation results show that the I 4 cluster can bend the dislocation line and delay the dislocation movement. During the course of intersection the dislocation line sections relatively far away from the I 4 cluster accelerate first, and then decelerate. The critical shear stress unpinning the 60 deg. dislocation from the I 4 cluster decreases as the temperature increases in the models.

Differential magnetic force microscope imaging.

Science.gov (United States)

Wang, Ying; Wang, Zuobin; Liu, Jinyun; Hou, Liwei

2015-01-01

This paper presents a method for differential magnetic force microscope imaging based on a two-pass scanning procedure to extract differential magnetic forces and eliminate or significantly reduce background forces with reversed tip magnetization. In the work, the difference of two scanned images with reversed tip magnetization was used to express the local magnetic forces. The magnetic sample was first scanned with a low lift distance between the MFM tip and the sample surface, and the magnetization direction of the probe was then changed after the first scan to perform the second scan. The differential magnetic force image was obtained through the subtraction of the two images from the two scans. The theoretical and experimental results have shown that the proposed method for differential magnetic force microscope imaging is able to reduce the effect of background or environment interference forces, and offers an improved image contrast and signal to noise ratio (SNR). © Wiley Periodicals, Inc.

Capillary force on a tilted cylinder: Atomic Force Microscope (AFM) measurements.

Science.gov (United States)

Kosgodagan Acharige, Sébastien; Laurent, Justine; Steinberger, Audrey

2017-11-01

The capillary force in situations where the liquid meniscus is asymmetric, such as the one around a tilted object, has been hitherto barely investigated even though these situations are very common in practice. In particular, the capillary force exerted on a tilted object may depend on the dipping angle i. We investigate experimentally the capillary force that applies on a tilted cylinder as a function of its dipping angle i, using a home-built tilting Atomic Force Microscope (AFM) with custom made probes. A micrometric-size rod is glued at the end of an AFM cantilever of known stiffness, whose deflection is measured when the cylindrical probe is dipped in and retracted from reference liquids. We show that a torque correction is necessary to understand the measured deflection. We give the explicit expression of this correction as a function of the probes' geometrical parameters, so that its magnitude can be readily evaluated. The results are compatible with a vertical capillary force varying as 1/cosi, in agreement with a recent theoretical prediction. Finally, we discuss the accuracy of the method for measuring the surface tension times the cosine of the contact angle of the liquid on the probe. Copyright © 2017 Elsevier Inc. All rights reserved.

Macroscopic QED in linearly responding media and a Lorentz-Force approach to dispersion forces

Energy Technology Data Exchange (ETDEWEB)

Raabe, Christian

2008-07-08

In this thesis, a very general quantization scheme for the macroscopic electromagnetic field in arbitrary linearly responding media is presented. It offers a unified approach to QED in such media. Applying the quantization scheme, a theory of the dispersion forces on the basis of the Lorentz force is developed. By regarding the dispersion force as the (ground-state or thermal-state) expectation value of the Lorentz force that acts on appropriately defined charge and current densities, Casimir, Casimir-Polder, and van der Waals forces are united in a very natural way that makes transparent their common physical basis. Application of the theory to planar structures yields generalizations of well-known Lifschitz and Casimir-type formulas. (orig.)

Macroscopic QED in linearly responding media and a Lorentz-Force approach to dispersion forces

International Nuclear Information System (INIS)

Raabe, Christian

2008-01-01

In this thesis, a very general quantization scheme for the macroscopic electromagnetic field in arbitrary linearly responding media is presented. It offers a unified approach to QED in such media. Applying the quantization scheme, a theory of the dispersion forces on the basis of the Lorentz force is developed. By regarding the dispersion force as the (ground-state or thermal-state) expectation value of the Lorentz force that acts on appropriately defined charge and current densities, Casimir, Casimir-Polder, and van der Waals forces are united in a very natural way that makes transparent their common physical basis. Application of the theory to planar structures yields generalizations of well-known Lifschitz and Casimir-type formulas. (orig.)

Interplay of vacuum-mediated inter- and intra-atomic couplings in a pair of atoms

International Nuclear Information System (INIS)

Schmid, Sandra Isabelle; Evers, Joerg

2010-01-01

The resonance fluorescence emitted by a system of two dipole-dipole interacting nearby four-level atoms in a J=1/2↔J=1/2 configuration is studied. This setup is the simplest realistic model system which provides a complete description of the (inter-atomic) dipole-dipole interaction for arbitrary orientation of the inter-atomic distance vector, and at the same time allows for intra-atomic spontaneously generated coherences. Our main interest is the interplay of both these different coupling mechanisms. We discuss different methods to analyze the contribution of the various vacuum-induced coupling constants to the total resonance fluorescence spectrum. These allow us to find a dressed state interpretation of the contribution of the different inter-atomic dipole-dipole couplings to the total spectrum. We further study the role of the spontaneously generated coherences, and identify two different contributions to the single-particle vacuum-induced couplings. We show that they have a noticeable impact on the total resonance fluorescence spectrum down to small inter-atomic distances, even though the dipole-dipole coupling constants then are much larger in magnitude than the the single-particle coupling constants. Interestingly, we find that the inter-atomic couplings can induce an effect of the intra-atomic spontaneously generated coherences on the observed spectra which is not present in single-atom systems.

Force balancing in mammographic compression

International Nuclear Information System (INIS)

Branderhorst, W.; Groot, J. E. de; Lier, M. G. J. T. B. van; Grimbergen, C. A.; Neeter, L. M. F. H.; Heeten, G. J. den; Neeleman, C.

2016-01-01

Purpose: In mammography, the height of the image receptor is adjusted to the patient before compressing the breast. An inadequate height setting can result in an imbalance between the forces applied by the image receptor and the paddle, causing the clamped breast to be pushed up or down relative to the body during compression. This leads to unnecessary stretching of the skin and other tissues around the breast, which can make the imaging procedure more painful for the patient. The goal of this study was to implement a method to measure and minimize the force imbalance, and to assess its feasibility as an objective and reproducible method of setting the image receptor height. Methods: A trial was conducted consisting of 13 craniocaudal mammographic compressions on a silicone breast phantom, each with the image receptor positioned at a different height. The image receptor height was varied over a range of 12 cm. In each compression, the force exerted by the compression paddle was increased up to 140 N in steps of 10 N. In addition to the paddle force, the authors measured the force exerted by the image receptor and the reaction force exerted on the patient body by the ground. The trial was repeated 8 times, with the phantom remounted at a slightly different orientation and position between the trials. Results: For a given paddle force, the obtained results showed that there is always exactly one image receptor height that leads to a balance of the forces on the breast. For the breast phantom, deviating from this specific height increased the force imbalance by 9.4 ± 1.9 N/cm (6.7%) for 140 N paddle force, and by 7.1 ± 1.6 N/cm (17.8%) for 40 N paddle force. The results also show that in situations where the force exerted by the image receptor is not measured, the craniocaudal force imbalance can still be determined by positioning the patient on a weighing scale and observing the changes in displayed weight during the procedure. Conclusions: In mammographic breast

Multistage Force Amplification of Piezoelectric Stacks

Science.gov (United States)

Xu, Tian-Bing (Inventor); Siochi, Emilie J. (Inventor); Zuo, Lei (Inventor); Jiang, Xiaoning (Inventor); Kang, Jin Ho (Inventor)

2015-01-01

Embodiments of the disclosure include an apparatus and methods for using a piezoelectric device, that includes an outer flextensional casing, a first cell and a last cell serially coupled to each other and coupled to the outer flextensional casing such that each cell having a flextensional cell structure and each cell receives an input force and provides an output force that is amplified based on the input force. The apparatus further includes a piezoelectric stack coupled to each cell such that the piezoelectric stack of each cell provides piezoelectric energy based on the output force for each cell. Further, the last cell receives an input force that is the output force from the first cell and the last cell provides an output apparatus force In addition, the piezoelectric energy harvested is based on the output apparatus force. Moreover, the apparatus provides displacement based on the output apparatus force.

The law of electromagnetic force

Directory of Open Access Journals (Sweden)

V.J. Kutkovetskyy

2014-06-01

Full Text Available Calculation peculiarities for Lorentz force, Ampere force, interaction of parallel electric currents, and the moment of electrical machines are analyzed. They have exceptions on application, and they are the rules which result from the law of electromagnetic force as coordinate derivative of the operating magnetic flow. An addition to the direction of electromagnetic force action is proposed. Standards of salient-pole electrical machine designing are considered.

Magnetic force micropiston: An integrated force/microfluidic device for the application of compressive forces in a confined environment

Science.gov (United States)

Fisher, J. K.; Kleckner, N.

2014-02-01

Cellular biology takes place inside confining spaces. For example, bacteria grow in crevices, red blood cells squeeze through capillaries, and chromosomes replicate inside the nucleus. Frequently, the extent of this confinement varies. Bacteria grow longer and divide, red blood cells move through smaller and smaller passages as they travel to capillary beds, and replication doubles the amount of DNA inside the nucleus. This increase in confinement, either due to a decrease in the available space or an increase in the amount of material contained in a constant volume, has the potential to squeeze and stress objects in ways that may lead to changes in morphology, dynamics, and ultimately biological function. Here, we describe a device developed to probe the interplay between confinement and the mechanical properties of cells and cellular structures, and forces that arise due to changes in a structure's state. In this system, the manipulation of a magnetic bead exerts a compressive force upon a target contained in the confining space of a microfluidic channel. This magnetic force microfluidic piston is constructed in such a way that we can measure (a) target compliance and changes in compliance as induced by changes in buffer, extract, or biochemical composition, (b) target expansion force generated by changes in the same parameters, and (c) the effects of compression stress on a target's structure and function. Beyond these issues, our system has general applicability to a variety of questions requiring the combination of mechanical forces, confinement, and optical imaging.

Localization and force analysis at the single virus particle level using atomic force microscopy

International Nuclear Information System (INIS)

Liu, Chih-Hao; Horng, Jim-Tong; Chang, Jeng-Shian; Hsieh, Chung-Fan; Tseng, You-Chen; Lin, Shiming

2012-01-01

Highlights: ► Localization of single virus particle. ► Force measurements. ► Force mapping. -- Abstract: Atomic force microscopy (AFM) is a vital instrument in nanobiotechnology. In this study, we developed a method that enables AFM to simultaneously measure specific unbinding force and map the viral glycoprotein at the single virus particle level. The average diameter of virus particles from AFM images and the specificity between the viral surface antigen and antibody probe were integrated to design a three-stage method that sets the measuring area to a single virus particle before obtaining the force measurements, where the influenza virus was used as the object of measurements. Based on the purposed method and performed analysis, several findings can be derived from the results. The mean unbinding force of a single virus particle can be quantified, and no significant difference exists in this value among virus particles. Furthermore, the repeatability of the proposed method is demonstrated. The force mapping images reveal that the distributions of surface viral antigens recognized by antibody probe were dispersed on the whole surface of individual virus particles under the proposed method and experimental criteria; meanwhile, the binding probabilities are similar among particles. This approach can be easily applied to most AFM systems without specific components or configurations. These results help understand the force-based analysis at the single virus particle level, and therefore, can reinforce the capability of AFM to investigate a specific type of viral surface protein and its distributions.

Recent Advances in the Method of Forces: Integrated Force Method of Structural Analysis

Science.gov (United States)

Patnaik, Surya N.; Coroneos, Rula M.; Hopkins, Dale A.

1998-01-01

Stress that can be induced in an elastic continuum can be determined directly through the simultaneous application of the equilibrium equations and the compatibility conditions. In the literature, this direct stress formulation is referred to as the integrated force method. This method, which uses forces as the primary unknowns, complements the popular equilibrium-based stiffness method, which considers displacements as the unknowns. The integrated force method produces accurate stress, displacement, and frequency results even for modest finite element models. This version of the force method should be developed as an alternative to the stiffness method because the latter method, which has been researched for the past several decades, may have entered its developmental plateau. Stress plays a primary role in the development of aerospace and other products, and its analysis is difficult. Therefore, it is advisable to use both methods to calculate stress and eliminate errors through comparison. This paper examines the role of the integrated force method in analysis, animation and design.

Rotordynamic Forces on Centrifugal Pump Impellers

OpenAIRE

Franz, R.; Arndt, N.; Caughey, T. K.; Brennen, C. E.; Acosta, A. J.

1987-01-01

The asymmetric flow around an impeller in a volute exerts a force upon the impeller. To study the rotordynamic force on an impeller which is vibrating around its machine axis of rotation, the impeller, mounted on a dynamometer, is made to whirl in a circular orbit within the volute. The measured force is expressed as the sum of a steady radial force and an unsteady force due to the eccentric motion of the impeller. These forces were measured in separate tests on a centrifugal pump with rad...

Design and performance of a high-resolution frictional force microscope with quantitative three-dimensional force sensitivity

International Nuclear Information System (INIS)

Dienwiebel, M.; Kuyper, E. de; Crama, L.; Frenken, J.W.M.; Heimberg, J.A.; Spaanderman, D.-J.; Glatra van Loon, D.; Zijlstra, T.; Drift, E. van der

2005-01-01

In this article, the construction and initial tests of a frictional force microscope are described. The instrument makes use of a microfabricated cantilever that allows one to independently measure the lateral forces in X and Y directions as well as the normal force. We use four fiber-optic interferometers to detect the motion of the sensor in three dimensions. The properties of our cantilevers allow easy and accurate normal and lateral force calibration, making it possible to measure the lateral force on a fully quantitative basis. First experiments on highly oriented pyrolytic graphite demonstrate that the microscope is capable of measuring lateral forces with a resolution down to 15 pN

Modern Airships: A Possible Solution for Rapid Force Projection of Army Forces

National Research Council Canada - National Science Library

Newbegin, Charles

2003-01-01

...). This reliance makes JRSOI sites in a theater predictable and thus a target for the enemy. Current OSD belief is that a lighter and more lethal fighting force could complete the deployment process faster than current heavy forces...

The water adsorption on the surfaces of SrMO{sub 3} (M= Ti, Zr, and Hf) crystalline oxides: quantum and classical modelling

Energy Technology Data Exchange (ETDEWEB)

Evarestov, R A; Bandura, A V; Blokhin, E N [Department of Quantum Chemistry, St. Petersburg State University 26 University Ave., Petergoff, St. Petersburg, 198504 (Russian Federation)

2007-12-15

Hybrid HF-DFT LCAO simulations of (001) surface properties and water adsorption on cubic SrTiO{sub 3}, SrZrO{sub 3}, and SrHfO{sub 3} perovskites are performed in a single-slab model framework. The optimized atomic structures and water adsorption energies have been calculated for a single water molecule per the surface unit cell. The possibility of the water molecular dissociation was investigated. Basing on the experimental data and results of the ab initio calculations the new interatomic potentials have been developed to describe the bulk and surface properties of the binary and ternary titanium and zirconium oxides. The proposed force-field takes into account the polarization effects via the shell model. The force-field suggested was used in the molecular mechanics calculations with the extended unit cells to study the possible surface reconstruction upon relaxation and hydroxylation of cubic perovskites.

The water adsorption on the surfaces of SrMO3 (M= Ti, Zr, and Hf) crystalline oxides: quantum and classical modelling

International Nuclear Information System (INIS)

Evarestov, R A; Bandura, A V; Blokhin, E N

2007-01-01

Hybrid HF-DFT LCAO simulations of (001) surface properties and water adsorption on cubic SrTiO 3 , SrZrO 3 , and SrHfO 3 perovskites are performed in a single-slab model framework. The optimized atomic structures and water adsorption energies have been calculated for a single water molecule per the surface unit cell. The possibility of the water molecular dissociation was investigated. Basing on the experimental data and results of the ab initio calculations the new interatomic potentials have been developed to describe the bulk and surface properties of the binary and ternary titanium and zirconium oxides. The proposed force-field takes into account the polarization effects via the shell model. The force-field suggested was used in the molecular mechanics calculations with the extended unit cells to study the possible surface reconstruction upon relaxation and hydroxylation of cubic perovskites

Magnus force in superfluids and superconductors

International Nuclear Information System (INIS)

Sonin, E.B.

1997-01-01

The forces on the vortex, transverse to its velocity, are considered. In addition to the superfluid Magnus force from the condensate (superfluid component), there are transverse forces from thermal quasiparticles and external fields violating the Galilean invariance. The forces between quasiparticles and the vortex originate from interference of quasiparticles with trajectories on the left and on the right from the vortex like similar forces for electrons interacting with the thin magnetic-flux tube (the Aharonov-Bohm effect). These forces are derived for phonons from the equations of superfluid hydrodynamics, and for BCS quasiparticles from the Bogolyubov endash de Gennes equations. The effect of external fields breaking Galilean invariance is analyzed for vortices in the two-dimensional Josephson junction array. The symmetry analysis of the classical equations for the array shows that the total transverse force on the vortex vanishes. Therefore the Hall effect which is linear in the transverse force is absent also. This means that the Magnus force from the superfluid component exactly cancels with the transverse force from the external fields. The results of other approaches are also brought together for discussion. copyright 1997 The American Physical Society

Relationship between friction force and orthodontic force at the leveling stage using a coated wire.

Science.gov (United States)

Murayama, Masaki; Namura, Yasuhiro; Tamura, Takahiko; Iwai, Hiroaki; Shimizu, Noriyoshi

2013-01-01

The relationship between orthodontic force and friction produced from an archwire and brackets affects the sliding of the wire in the leveling stage. The purpose of this study was to evaluate the relationship between force and friction in a small esthetic nickel-titanium (Ni-Ti) wire. Five esthetic wires (three coated and two plated) and two small, plain Ni-Ti wires (0.012 and 0.014 inches) were used. We performed a three-point bending test according to ISO 15841 and the drawing test with a dental arch model designed with upper linguoversion of the lateral incisor in the arch (displacements of 0.5, 1.0, 2.0 and 3.0 mm), and evaluated the relationship between them. Unloading bending forces of all wires at displacements of less than 1.0 mm were larger than friction forces, but all friction forces at displacements exceeding 2.0 mm were larger than unloading bending forces. The arch likely expands when displacement from the proximal brackets exceeds 1.0 mm. The friction force of a martensite 0.014-inch Ni-Ti wire was significantly greater than those of the other esthetic and austenitic wires. A wire with the smallest possible friction force should be used in cases with more than 1.0 mm displacement.

Packing force data correlations

International Nuclear Information System (INIS)

Heiman, S.M.

1994-01-01

One of the issues facing valve maintenance personnel today deals with an appropriate methodology for installing and setting valve packing that will minimize leak rates, yet ensure functionality of the the valve under all anticipated operating conditions. Several variables can affect a valve packing's ability to seal, such as packing bolt torque, stem finish, and lubrication. Stem frictional force can be an excellent overall indicator of some of the underlying conditions that affect the sealing characteristics of the packing and the best parameter to use when adjusting the packing. This paper addresses stem friction forces, analytically derives the equations related to these forces, presents a methodology for measuring these forces on valve stems, and attempts to correlate the data directly to the underlying variables

Pre-impact lower extremity posture and brake pedal force predict foot and ankle forces during an automobile collision.

Science.gov (United States)

Hardin, E C; Su, A; van den Bogert, A J

2004-12-01

The purpose of this study was to determine how a driver's foot and ankle forces during a frontal vehicle collision depend on initial lower extremity posture and brake pedal force. A 2D musculoskeletal model with seven segments and six right-side muscle groups was used. A simulation of a three-second braking task found 3647 sets of muscle activation levels that resulted in stable braking postures with realistic pedal force. These activation patterns were then used in impact simulations where vehicle deceleration was applied and driver movements and foot and ankle forces were simulated. Peak rearfoot ground reaction force (F(RF)), peak Achilles tendon force (FAT), peak calcaneal force (F(CF)) and peak ankle joint force (F(AJ)) were calculated. Peak forces during the impact simulation were 476 +/- 687 N (F(RF)), 2934 +/- 944 N (F(CF)) and 2449 +/- 918 N (F(AJ)). Many simulations resulted in force levels that could cause fractures. Multivariate quadratic regression determined that the pre-impact brake pedal force (PF), knee angle (KA) and heel distance (HD) explained 72% of the variance in peak FRF, 62% in peak F(CF) and 73% in peak F(AJ). Foot and ankle forces during a collision depend on initial posture and pedal force. Braking postures with increased knee flexion, while keeping the seat position fixed, are associated with higher foot and ankle forces during a collision.

Towards unification of the four fundamental forces

International Nuclear Information System (INIS)

Sivaram, C.

1987-01-01

An account of the principles involved and the progress made in understanding of four fundamental forces of nature, namely, gravitational force, electromagnetic force, electroweak force and electrostrong force is given. The attempts being made to unify these forces are also described. (M.G.B.)

Localization and force analysis at the single virus particle level using atomic force microscopy

Energy Technology Data Exchange (ETDEWEB)

Liu, Chih-Hao [Institute of Applied Mechanics, Nation Taiwan University, Roosevelt Road, Taipei 10617, Taiwan (China); Horng, Jim-Tong [Department of Biochemistry, Chang Gung University, 259 Wen-Hwa First Road, Kweishan, Taoyuan 333, Taiwan (China); Chang, Jeng-Shian [Institute of Applied Mechanics, Nation Taiwan University, Roosevelt Road, Taipei 10617, Taiwan (China); Hsieh, Chung-Fan [Graduate Institute of Biomedical Sciences, Chang Gung University, Kweishan, Taoyuan 333, Taiwan (China); Tseng, You-Chen [Institute of Applied Mechanics, Nation Taiwan University, Roosevelt Road, Taipei 10617, Taiwan (China); Lin, Shiming, E-mail: til@ntu.edu.tw [Institute of Applied Mechanics, Nation Taiwan University, Roosevelt Road, Taipei 10617, Taiwan (China); Center for Optoelectronic Biomedicine, College of Medicine, Nation Taiwan University, 1-1 Jen-Ai Road, Taipei 10051, Taiwan (China)

2012-01-06

Highlights: Black-Right-Pointing-Pointer Localization of single virus particle. Black-Right-Pointing-Pointer Force measurements. Black-Right-Pointing-Pointer Force mapping. -- Abstract: Atomic force microscopy (AFM) is a vital instrument in nanobiotechnology. In this study, we developed a method that enables AFM to simultaneously measure specific unbinding force and map the viral glycoprotein at the single virus particle level. The average diameter of virus particles from AFM images and the specificity between the viral surface antigen and antibody probe were integrated to design a three-stage method that sets the measuring area to a single virus particle before obtaining the force measurements, where the influenza virus was used as the object of measurements. Based on the purposed method and performed analysis, several findings can be derived from the results. The mean unbinding force of a single virus particle can be quantified, and no significant difference exists in this value among virus particles. Furthermore, the repeatability of the proposed method is demonstrated. The force mapping images reveal that the distributions of surface viral antigens recognized by antibody probe were dispersed on the whole surface of individual virus particles under the proposed method and experimental criteria; meanwhile, the binding probabilities are similar among particles. This approach can be easily applied to most AFM systems without specific components or configurations. These results help understand the force-based analysis at the single virus particle level, and therefore, can reinforce the capability of AFM to investigate a specific type of viral surface protein and its distributions.

Climate forcing by anthropogenic aerosols

Energy Technology Data Exchange (ETDEWEB)

Charlson, R J; Schwartz, S E; Hales, J M; Cess, R D; Coakley, Jr, J A; Hansen, J E; Hofmann, D J [University of Washington, Seattle, WA (USA). Inst. for Environmental Studies, Dept. of Atmospheric Sciences

1992-01-24

Although long considered to be of marginal importance to global climate change, tropospheric aerosol contributes substantially to radiative forcing, and anthropogenic sulfate aerosol in particular has imposed a major perturbation to this forcing. Both the direct scattering of short wavelength solar radiation and the modification of the shortwave reflective properties of clouds by sulfate aerosol particles increase planetary albedo, thereby exerting a cooling influence on the planet. Current climate forcing due to anthropogenic sulfate is estimated to be -1 to -2 watts per square metre, globally averaged. This perturbation is comparable in magnitude to current anthropogenic greenhouse gas forcing but opposite in sign. Thus, the aerosol forcing has likely offset global greenhouse warming to a substantial degree. However, differences in geographical and seasonal distributions of these forcings preclude any simple compensation. Aerosol effects must be taken into account in evaluating anthropogenic influences on past, current, and projected future climate and in formulating policy regarding controls on emission of greenhouse gases and sulfur dioxide. Resolution of such policy issues requires integrated research on the magnitude and geographical distribution of aerosol climate forcing and on the controlling chemical and physical processes. 73 refs., 4 figs., 2 tabs.

Climate forcing by anthropogenic aerosols.

Science.gov (United States)

Charlson, R J; Schwartz, S E; Hales, J M; Cess, R D; Coakley, J A; Hansen, J E; Hofmann, D J

1992-01-24

Although long considered to be of marginal importance to global climate change, tropospheric aerosol contributes substantially to radiative forcing, and anthropogenic sulfate aerosol in particular has imposed a major perturbation to this forcing. Both the direct scattering of shortwavelength solar radiation and the modification of the shortwave reflective properties of clouds by sulfate aerosol particles increase planetary albedo, thereby exerting a cooling influence on the planet. Current climate forcing due to anthropogenic sulfate is estimated to be -1 to -2 watts per square meter, globally averaged. This perturbation is comparable in magnitude to current anthropogenic greenhouse gas forcing but opposite in sign. Thus, the aerosol forcing has likely offset global greenhouse warming to a substantial degree. However, differences in geographical and seasonal distributions of these forcings preclude any simple compensation. Aerosol effects must be taken into account in evaluating anthropogenic influences on past, current, and projected future climate and in formulating policy regarding controls on emission of greenhouse gases and sulfur dioxide. Resolution of such policy issues requires integrated research on the magnitude and geographical distribution of aerosol climate forcing and on the controlling chemical and physical processes.

Lateral force calibration in atomic force microscopy: A new lateral force calibration method and general guidelines for optimization

International Nuclear Information System (INIS)

Cannara, Rachel J.; Eglin, Michael; Carpick, Robert W.

2006-01-01

Proper force calibration is a critical step in atomic and lateral force microscopies (AFM/LFM). The recently published torsional Sader method [C. P. Green et al., Rev. Sci. Instrum. 75, 1988 (2004)] facilitates the calculation of torsional spring constants of rectangular AFM cantilevers by eliminating the need to obtain information or make assumptions regarding the cantilever's material properties and thickness, both of which are difficult to measure. Complete force calibration of the lateral signal in LFM requires measurement of the lateral signal deflection sensitivity as well. In this article, we introduce a complete lateral force calibration procedure that employs the torsional Sader method and does not require making contact between the tip and any sample. In this method, a colloidal sphere is attached to a 'test' cantilever of the same width, but different length and material as the 'target' cantilever of interest. The lateral signal sensitivity is calibrated by loading the colloidal sphere laterally against a vertical sidewall. The signal sensitivity for the target cantilever is then corrected for the tip length, total signal strength, and in-plane bending of the cantilevers. We discuss the advantages and disadvantages of this approach in comparison with the other established lateral force calibration techniques, and make a direct comparison with the 'wedge' calibration method. The methods agree to within 5%. The propagation of errors is explicitly considered for both methods and the sources of disagreement discussed. Finally, we show that the lateral signal sensitivity is substantially reduced when the laser spot is not centered on the detector

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

The modal logic of forcing

NARCIS (Netherlands)

Hamkins, J.D.; Löwe, B.

2008-01-01

A set theoretical assertion psi is forceable or possible, written lozenge psi, if psi holds in some forcing extension, and necessary, written square psi, if psi holds in all forcing extensions. In this forcing interpretation of modal logic, we establish that if ZFC is consistent, then the

Small amplitude atomic force spectroscopy

NARCIS (Netherlands)

de Beer, Sissi; van den Ende, Henricus T.M.; Ebeling, Daniel; Mugele, Friedrich Gunther; Bhushan, Bharat

2011-01-01

Over the years atomic force microscopy has developed from a pure imaging technique to a tool that can be employed for measuring quantitative tip–sample interaction forces. In this chapter we provide an overview of various techniques to extract quantitative tip–sample forces focusing on both

Forces in electromagnetic field and gravitational field

OpenAIRE

Weng, Zihua

2008-01-01

The force can be defined from the linear momentum in the gravitational field and electromagnetic field. But this definition can not cover the gradient of energy. In the paper, the force will be defined from the energy and torque in a new way, which involves the gravitational force, electromagnetic force, inertial force, gradient of energy, and some other new force terms etc. One of these new force terms can be used to explain why the solar wind varies velocity along the magnetic force line in...

Relationship between friction force and orthodontic force at the leveling stage using a coated wire

Directory of Open Access Journals (Sweden)

Masaki MURAYAMA

2013-12-01

Full Text Available The relationship between orthodontic force and friction produced from an archwire and brackets affects the sliding of the wire in the leveling stage. Objective: The purpose of this study was to evaluate the relationship between force and friction in a small esthetic nickel-titanium (Ni-Ti wire. Material and Methods: Five esthetic wires (three coated and two plated and two small, plain Ni-Ti wires (0.012 and 0.014 inches were used. We performed a three-point bending test according to ISO 15841 and the drawing test with a dental arch model designed with upper linguoversion of the lateral incisor in the arch (displacements of 0.5, 1.0, 2.0 and 3.0 mm, and evaluated the relationship between them. Results: Unloading bending forces of all wires at displacements of less than 1.0 mm were larger than friction forces, but all friction forces at displacements exceeding 2.0 mm were larger than unloading bending forces. The arch likely expands when displacement from the proximal brackets exceeds 1.0 mm. The friction force of a martensite 0.014-inch Ni-Ti wire was significantly greater than those of the other esthetic and austenitic wires. Conclusions: A wire with the smallest possible friction force should be used in cases with more than 1.0 mm displacement.

Blocking of Brute Force Attack

OpenAIRE

M.Venkata Krishna Reddy

2012-01-01

A common threat Web developers face is a password-guessing attack known as a brute-force attack. A brute-force attack is an attempt to discover a password by systematically trying every possible combination of letters, numbers, and symbols until you discover the one correct combination that works. If your Web site requires user authentication, you are a good target for a brute-force attack. An attacker can always discover a password through a brute-force attack, but the downside is that it co...

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.

Labor Force Participation Rate

Data.gov (United States)

City and County of Durham, North Carolina — This thematic map presents the labor force participation rate of working-age people in the United States in 2010. The 2010 Labor Force Participation Rate shows the...

Materials specific work at Forschungszentrum Karlsruhe and in cooperation with the industrial partners ALKEM and Interatom for the development of nuclear oxide fuels for fission reactors

International Nuclear Information System (INIS)

Kleykamp, H.; Muehling, G.

2005-09-01

The fabrication of uranium-plutonium oxide fuel started in Forschungszentrum Karlsruhe and at ALKEM company to begin for the criticality experiments in the SNEAK reactor and subsequently for stationary fuel pin irradiations in the FR2, BR2, DFR, Rapsodie, Phenix and KNK II reactors. The production methods comprised first the mechanical blending of UO2 and PuO2 followed by direct pressing and sintering of the pellets, later the advanced methods such as optimized comilling and ammonium uranyl plutonyl coprecititation. The fabrication of pellets was described in the main, further the alternative fuel pin manufacturing processes by vibrational compaction and hot-impact densification were discussed. The first capsule and pin irradiations in the FR2 and BR2 reactors contributed to the assessment of the maximum operation parameters within the fuel pin development such as linear heat rating, cladding temperature and burnup. Subsequently, small-bundle and largebundle irradiations were made in fast reactors in cooperation with Interatom company in order to verify the specifications for the commercial fast reactor SNR 300. Milestones were the maximum burnup of 175 GWd/t metal, corresponding 18.6 % of the heavy atoms, obtained in one of the KNK II fuel pin assemblies, and the displacement rates in the cladding materials of 140 dpa NRT attained in the Phenix reactor. Higher implications gained later the stationary irradiations of defected mixed-oxide pins, the mild fuel pin transient operations, the local blockage experiments and the severe hypothetic accidents in the respective Siloe, HFR, BR2 and CABRI reactors. These experiments were made solely in international partnership. Further activities were the chemical analyses of solid residues and coprecipitations of irradiated mixed-oxide fuels in the head-end of the reprocessing. All these actions were coordinated in the then fast breeder project. Furthermore, irradiated fuels and fuel pins of other reactor types were

RSOI: Force Deployment Bottleneck

National Research Council Canada - National Science Library

D'Amato, Mark

1998-01-01

.... This runs counter to the popular belief that strategic lift is the limiting constraint. The study begins by highlighting the genesis of the military's current force projection strategy and the resulting importance of rapid force deployments...

Effects of oncoming target velocities on rapid force production and accuracy of force production intensity and timing.

Science.gov (United States)

Ohta, Yoichi

2017-12-01

The present study aimed to clarify the effects of oncoming target velocities on the ability of rapid force production and accuracy and variability of simultaneous control of both force production intensity and timing. Twenty male participants (age: 21.0 ± 1.4 years) performed rapid gripping with a handgrip dynamometer to coincide with the arrival of an oncoming target by using a horizontal electronic trackway. The oncoming target velocities were 4, 8, and 12 m · s -1 , which were randomly produced. The grip force required was 30% of the maximal voluntary contraction. Although the peak force (Pf) and rate of force development (RFD) increased with increasing target velocity, the value of the RFD to Pf ratio was constant across the 3 target velocities. The accuracy of both force production intensity and timing decreased at higher target velocities. Moreover, the intrapersonal variability in temporal parameters was lower in the fast target velocity condition, but constant variability in 3 target velocities was observed in force intensity parameters. These results suggest that oncoming target velocity does not intrinsically affect the ability for rapid force production. However, the oncoming target velocity affects accuracy and variability of force production intensity and timing during rapid force production.

Curvature force and dark energy

International Nuclear Information System (INIS)

Balakin, Alexander B; Pavon, Diego; Schwarz, Dominik J; Zimdahl, Winfried

2003-01-01

A curvature self-interaction of the cosmic gas is shown to mimic a cosmological constant or other forms of dark energy, such as a rolling tachyon condensate or a Chaplygin gas. Any given Hubble rate and deceleration parameter can be traced back to the action of an effective curvature force on the gas particles. This force self-consistently reacts back on the cosmological dynamics. The links between an imperfect fluid description, a kinetic description with effective antifriction forces and curvature forces, which represent a non-minimal coupling of gravity to matter, are established

Force As A Momentum Current

International Nuclear Information System (INIS)

Munera, Hector A.

2010-01-01

Advantages of a neo-Cartesian approach to classical mechanics are noted. If conservation of linear momentum is the fundamental principle, Newton's three laws become theorems. A minor paradox in static Newtonian mechanics is identified, and solved by reinterpreting force as a current of momentum. Contact force plays the role of a mere midwife in the exchange of momentum; however, force cannot be eliminated from physics because it provides the numerical value for momentum current. In this sense, in a neo-Cartesian formulation of mechanics the concept of force becomes strengthened rather than weakened.

Forces on Centrifugal Pump Impellers

OpenAIRE

Jery, Belgacem; Brennen, Christopher E.; Caughey, Thomas K.; Acosta, Allan

1985-01-01

Forces are exerted on a centrifugal pump impeller, due to the asymmetry of the flow caused by the volute of diffuser, and to the motion of the center of the impeller whenever the shaft whirls. Recent work in the measurement of these forces as a function of the whirl speed to shaft speed ratio, and the influence of the volute, is reviewed. These forces may be decomposed into a steady force, a static stiffness matrix, a damping matrix and an inertia matrix. It is shown that for centrifugal p...

New force replica exchange method and protein folding pathways probed by force-clamp technique.

Science.gov (United States)

Kouza, Maksim; Hu, Chin-Kun; Li, Mai Suan

2008-01-28

We have developed a new extended replica exchange method to study thermodynamics of a system in the presence of external force. Our idea is based on the exchange between different force replicas to accelerate the equilibrium process. This new approach was applied to obtain the force-temperature phase diagram and other thermodynamical quantities of the three-domain ubiquitin. Using the C(alpha)-Go model and the Langevin dynamics, we have shown that the refolding pathways of single ubiquitin depend on which terminus is fixed. If the N end is fixed then the folding pathways are different compared to the case when both termini are free, but fixing the C terminal does not change them. Surprisingly, we have found that the anchoring terminal does not affect the pathways of individual secondary structures of three-domain ubiquitin, indicating the important role of the multidomain construction. Therefore, force-clamp experiments, in which one end of a protein is kept fixed, can probe the refolding pathways of a single free-end ubiquitin if one uses either the polyubiquitin or a single domain with the C terminus anchored. However, it is shown that anchoring one end does not affect refolding pathways of the titin domain I27, and the force-clamp spectroscopy is always capable to predict folding sequencing of this protein. We have obtained the reasonable estimate for unfolding barrier of ubiquitin, using the microscopic theory for the dependence of unfolding time on the external force. The linkage between residue Lys48 and the C terminal of ubiquitin is found to have the dramatic effect on the location of the transition state along the end-to-end distance reaction coordinate, but the multidomain construction leaves the transition state almost unchanged. We have found that the maximum force in the force-extension profile from constant velocity force pulling simulations depends on temperature nonlinearly. However, for some narrow temperature interval this dependence becomes

Size Dependent Orientation of Knudsen Force

KAUST Repository

Zhu, Taishan

2012-03-03

Knudsen force acting on a heated microbeam adjacent to a cold substrate in a rarefied gas is a mechanical force created by unbalanced thermal gradients. The measured force has its direction pointing towards the side with a lower thermal gradient and its magnitude vanishes in both continuum and free-molecule limits. In our previous study, negative Knudsen forces were discovered at the high Knudsen regime before diminishing in the free-molecule limit. Such a phenomenon was however not observed in the experiment. In this paper, the existence of such a negative Knudsen force is further confirmed using both numerical simulation and theoretical analysis. The asymptotic order of the Knudsen force near the collisionless limit is analyzed and the analytical expression of its leading term is provided, from which approaches for the enhancement of negative Knudsen forces are proposed. Copyright © 2012 by ASME.

Tendon surveillance requirements - average tendon force

International Nuclear Information System (INIS)

Fulton, J.F.

1982-01-01

Proposed Rev. 3 to USNRC Reg. Guide 1.35 discusses the need for comparing, for individual tendons, the measured and predicted lift-off forces. Such a comparison is intended to detect any abnormal tendon force loss which might occur. Recognizing that there are uncertainties in the prediction of tendon losses, proposed Guide 1.35.1 has allowed specific tolerances on the fundamental losses. Thus, the lift-off force acceptance criteria for individual tendons appearing in Reg. Guide 1.35, Proposed Rev. 3, is stated relative to a lower bound predicted tendon force, which is obtained using the 'plus' tolerances on the fundamental losses. There is an additional acceptance criterion for the lift-off forces which is not specifically addressed in these two Reg. Guides; however, it is included in a proposed Subsection IWX to ASME Code Section XI. This criterion is based on the overriding requirement that the magnitude of prestress in the containment structure be sufficeint to meet the minimum prestress design requirements. This design requirement can be expressed as an average tendon force for each group of vertical hoop, or dome tendons. For the purpose of comparing the actual tendon forces with the required average tendon force, the lift-off forces measured for a sample of tendons within each group can be averaged to construct the average force for the entire group. However, the individual lift-off forces must be 'corrected' (normalized) prior to obtaining the sample average. This paper derives the correction factor to be used for this purpose. (orig./RW)

Is Gravity an Entropic Force?

Directory of Open Access Journals (Sweden)

Shan Gao

2011-04-01

Full Text Available The remarkable connections between gravity and thermodynamics seem to imply that gravity is not fundamental but emergent, and in particular, as Verlinde suggested, gravity is probably an entropic force. In this paper, we will argue that the idea of gravity as an entropic force is debatable. It is shown that there is no convincing analogy between gravity and entropic force in Verlinde’s example. Neither holographic screen nor test particle satisfies all requirements for the existence of entropic force in a thermodynamics system. Furthermore, we show that the entropy increase of the screen is not caused by its statistical tendency to increase entropy as required by the existence of entropic force, but in fact caused by gravity. Therefore, Verlinde’s argument for the entropic origin of gravity is problematic. In addition, we argue that the existence of a minimum size of spacetime, together with the Heisenberg uncertainty principle in quantum theory, may imply the fundamental existence of gravity as a geometric property of spacetime. This may provide a further support for the conclusion that gravity is not an entropic force.

Wave Forces on Offshore Windturbine Foundations

DEFF Research Database (Denmark)

Larsen, Brian Juul; Frigaard, Peter

The present report on the wave forces is the first report on the Borkum Riff project. A testprogramme has been performed to dertermine the wave forces on windturbine foundations.......The present report on the wave forces is the first report on the Borkum Riff project. A testprogramme has been performed to dertermine the wave forces on windturbine foundations....

Functionalization of gold and nanocrystalline diamond atomic force microscope tips for single molecule force spectroscopy

Science.gov (United States)

Drew, Michael E.

The atomic force microscope (AFM) has fueled interest in nanotechnology because of its ability to image surfaces at the nanometer level and act as a molecular force sensor. Functionalization of the surface of an AFM tip surface in a stable, controlled manner expands the capabilities of the AFM and enables additional applications in the fields of single molecule force spectroscopy and nanolithography. Two AFM tip functionalizations are described: the assembly of tripodal molecular tips onto gold AFM tips and the photochemical attachment of terminal alkenes to nanocrystalline diamond (NCD) AFM tips. Two separate tripodal molecules with different linker lengths and a monopodal molecule terminated with biotin were synthesized to attach to a gold AFM tip for single molecule force spectroscopy. The immobilization of these molecules was examined by contact angle measurements, spectroscopic ellipsometry, infrared, and near edge x-ray absorption fine structure (NEXAFS) spectroscopy. All three molecules displayed rupture forces that agreed with previously reported values for the biotin--avidin rupture. The tripodal molecular tip displayed narrower distribution in their force histograms than the monopodal molecular tip. The performance of the tripodal molecular tip was compared to the monopodal molecular tip in single molecule force spectroscopy studies. Over repeated measurements, the distribution of forces for the monopodal molecular tip shifted to lower forces, whereas the distribution for the tripodal molecular tip remained constant throughout. Loading rate dependence and control experiments further indicated that the rupture forces of the tripod molecular tips were specific to the biotin--NeutrAvidin interaction. The second functionalization method used the photochemical attachment of undecylenic acid to NCD AFM tips. The photochemical attachment of undecylenic acid to hydrogen-terminated NCD wafer surfaces was investigated by contact angle measurements, x

Wind Forces on Container Ships

DEFF Research Database (Denmark)

Andersen, Ingrid Marie Vincent

2012-01-01

An investigation of the wind forces acting on a 9,000+ TEU container ship has been carried out through a series of wind tunnel tests. It was investigated how the wind forces depend on the container configuration on the deck using a 1:450 scale model and a series of appropriate container...... are presented as nondimensional coefficients. It is concluded, that the measured forces and moment depend on the container configuration on deck, and the results may provide a general idea of how the magnitude of the wind forces is affected by a given container stacking configuration on a similar container ship....

Self-Induced Backaction Optical Pulling Force

Science.gov (United States)

Zhu, Tongtong; Cao, Yongyin; Wang, Lin; Nie, Zhongquan; Cao, Tun; Sun, Fangkui; Jiang, Zehui; Nieto-Vesperinas, Manuel; Liu, Yongmin; Qiu, Cheng-Wei; Ding, Weiqiang

2018-03-01

We achieve long-range and continuous optical pulling in a periodic photonic crystal background, which supports a unique Bloch mode with the self-collimation effect. Most interestingly, the pulling force reported here is mainly contributed by the intensity gradient force originating from the self-induced backaction of the object to the self-collimation mode. This force is sharply distinguished from the widely held conception of optical tractor beams based on the scattering force. Also, this pulling force is insensitive to the angle of incidence and can pull multiple objects simultaneously.

The forces in Nature

CERN Multimedia

CERN AC

1998-01-01

The different forces, together with a pictorial analogy of how the exchange of particles works. The table lists the relative strength of the couplings, the quanta associated with the force fields and the bodies of phenomena in which they have a dominant role.

Rate of force development

DEFF Research Database (Denmark)

Maffiuletti, Nicola A; Aagaard, Per; Blazevich, Anthony J

2016-01-01

The evaluation of rate of force development during rapid contractions has recently become quite popular for characterising explosive strength of athletes, elderly individuals and patients. The main aims of this narrative review are to describe the neuromuscular determinants of rate of force devel...

Lorentz force actuation of a heated atomic force microscope cantilever.

Science.gov (United States)

Lee, Byeonghee; Prater, Craig B; King, William P

2012-02-10

We report Lorentz force-induced actuation of a silicon microcantilever having an integrated resistive heater. Oscillating current through the cantilever interacts with the magnetic field around a NdFeB permanent magnet and induces a Lorentz force that deflects the cantilever. The same current induces cantilever heating. With AC currents as low as 0.2 mA, the cantilever can be oscillated as much as 80 nm at resonance with a DC temperature rise of less than 5 °C. By comparison, the AC temperature variation leads to a thermomechanical oscillation that is about 1000 times smaller than the Lorentz deflection at the cantilever resonance. The cantilever position in the nonuniform magnetic field affects the Lorentz force-induced deflection, with the magnetic field parallel to the cantilever having the largest effect on cantilever actuation. We demonstrate how the cantilever actuation can be used for imaging, and for measuring the local material softening temperature by sensing the contact resonance shift.

Low force cementation.

Science.gov (United States)

Wilson, P R

1996-07-01

The marginal adaptation of full coverage restorations is adversely affected by the introduction of luting agents of various minimum film thicknesses during the cementation process. The increase in the marginal opening may have long-term detrimental effects on the health of both pulpal and periodontal tissues. The purpose of this study was to determine the effects of varying seating forces (2.5, 12.5, 25 N), venting, and cement types on post-cementation marginal elevation in cast crowns. A standardized cement space of 40 microns was provided between a machined gold crown and a stainless steel die. An occlusal vent was placed that could be opened or closed. The post-cementation crown elevation was measured, following the use of two commercially available capsulated dental cements (Phosphacap, and Ketac-cem Applicap). The results indicate that only the combination of Ketac-Cem Applicap and crown venting produced post-cementation crown elevation of less than 20 microns when 12.5 N seating force was used. Higher forces (25 N) and venting were required for comparable seating when using Phosphacap (19 microns). The amount of force required to allow maximum seating of cast crowns appears to be cement specific, and is reduced by effective venting procedures.

Current-induced forces: a simple derivation

International Nuclear Information System (INIS)

Todorov, Tchavdar N; Dundas, Daniel; Lü, Jing-Tao; Brandbyge, Mads; Hedegård, Per

2014-01-01

We revisit the problem of forces on atoms under current in nanoscale conductors. We derive and discuss the five principal kinds of force under steady-state conditions from a simple standpoint that—with the help of background literature—should be accessible to physics undergraduates. The discussion aims at combining methodology with an emphasis on the underlying physics through examples. We discuss and compare two forces present only under current—the non-conservative electron wind force and a Lorentz-like velocity-dependent force. It is shown that in metallic nanowires both display significant features at the wire surface, making it a candidate for the nucleation of current-driven structural transformations and failure. Finally we discuss the problem of force noise and the limitations of Ehrenfest dynamics. (paper)

R5FORCE: a program to compute fluid induced forces using hydrodynamic output from the RELAP5 code

International Nuclear Information System (INIS)

Watkins, J.C.

1983-01-01

This paper describes the computer code R5FORCE, a postprocessor to the RELAP5/MOD1 thermal-hydraulics code. R5FORCE computes piping hydraulic force/time histories that can be input into various structural analysis computer codes. R5FORCE solves the momentum conservation equation using the pressure and wall shear force terms rather than the pressure and fluid acceleration terms; eliminating potential instabilities associated with computing the time derivative in the fluid acceleration term. The updates to REALP5 required to generate the input data to R5FORCE are also discussed

PRN 94-9: Announcing the Formation of Two Industry-Wide Task Forces: Agricultural Reentry Task Force and Outdoor Residential Exposure Task Force

Science.gov (United States)

This Notice announces two industry-wide Task Forces being formed in response to generic exposure data requirements. It contains EPA's policy on a registrant's options for, and responsibilities when joining Task Force as a way to satisfy data requirements.

Equilibrium capillary forces with atomic force microscopy

NARCIS (Netherlands)

Sprakel, J.H.B.; Besseling, N.A.M.; Leermakers, F.A.M.; Cohen Stuart, M.A.

2007-01-01

We present measurements of equilibrium forces resulting from capillary condensation. The results give access to the ultralow interfacial tensions between the capillary bridge and the coexisting bulk phase. We demonstrate this with solutions of associative polymers and an aqueous mixture of gelatin

Logic circuits from zero forcing.

Science.gov (United States)

Burgarth, Daniel; Giovannetti, Vittorio; Hogben, Leslie; Severini, Simone; Young, Michael

We design logic circuits based on the notion of zero forcing on graphs; each gate of the circuits is a gadget in which zero forcing is performed. We show that such circuits can evaluate every monotone Boolean function. By using two vertices to encode each logical bit, we obtain universal computation. We also highlight a phenomenon of "back forcing" as a property of each function. Such a phenomenon occurs in a circuit when the input of gates which have been already used at a given time step is further modified by a computation actually performed at a later stage. Finally, we show that zero forcing can be also used to implement reversible computation. The model introduced here provides a potentially new tool in the analysis of Boolean functions, with particular attention to monotonicity. Moreover, in the light of applications of zero forcing in quantum mechanics, the link with Boolean functions may suggest a new directions in quantum control theory and in the study of engineered quantum spin systems. It is an open technical problem to verify whether there is a link between zero forcing and computation with contact circuits.

Comparison of Theodorsen's Unsteady Aerodynamic Forces with Doublet Lattice Generalized Aerodynamic Forces

Science.gov (United States)

Perry, Boyd, III

2017-01-01

This paper identifies the unsteady aerodynamic forces and moments for a typical section contained in the NACA Report No. 496, "General Theory of Aerodynamic Instability and the Mechanism of Flutter," by Theodore Theodorsen. These quantities are named Theodorsen's aerodynamic forces (TAFs). The TAFs are compared to the generalized aerodynamic forces (GAFs) for a very high aspect ratio wing (AR = 20) at zero Mach number computed by the doublet lattice method. Agreement between TAFs and GAFs is very-good-to-excellent. The paper also reveals that simple proportionality relationships that are known to exist between the real parts of some GAFs and the imaginary parts of others also hold for the real and imaginary parts of the corresponding TAFs.

Handbook of Molecular Force Spectroscopy

CERN Document Server

Noy, Aleksandr

2008-01-01

"...Noy's Handbook of Molecular Force Spectroscopy is both a timely and useful summary of fundamental aspects of molecular force spectroscopy, and I believe it would make a worthwhile addition to any good scientific library. New research groups that are entering this field would be well advisedto study this handbook in detail before venturing into the exciting and challenging world of molecular force spectroscopy." Matthew F. Paige, University of Saskatchewan, Journal of the American Chemical Society Modern materials science and biophysics are increasingly focused on studying and controlling intermolecular interactions on the single-molecule level. Molecular force spectroscopy was developed in the past decade as the result of several unprecedented advances in the capabilities of modern scientific instrumentation, and defines a number of techniques that use mechanical force measurements to study interactions between single molecules and molecular assemblies in chemical and biological systems. Examples of these...

In vivo recording of aerodynamic force with an aerodynamic force platform: from drones to birds.

Science.gov (United States)

Lentink, David; Haselsteiner, Andreas F; Ingersoll, Rivers

2015-03-06

Flapping wings enable flying animals and biomimetic robots to generate elevated aerodynamic forces. Measurements that demonstrate this capability are based on experiments with tethered robots and animals, and indirect force calculations based on measured kinematics or airflow during free flight. Remarkably, there exists no method to measure these forces directly during free flight. Such in vivo recordings in freely behaving animals are essential to better understand the precise aerodynamic function of their flapping wings, in particular during the downstroke versus upstroke. Here, we demonstrate a new aerodynamic force platform (AFP) for non-intrusive aerodynamic force measurement in freely flying animals and robots. The platform encloses the animal or object that generates fluid force with a physical control surface, which mechanically integrates the net aerodynamic force that is transferred to the earth. Using a straightforward analytical solution of the Navier-Stokes equation, we verified that the method is accurate. We subsequently validated the method with a quadcopter that is suspended in the AFP and generates unsteady thrust profiles. These independent measurements confirm that the AFP is indeed accurate. We demonstrate the effectiveness of the AFP by studying aerodynamic weight support of a freely flying bird in vivo. These measurements confirm earlier findings based on kinematics and flow measurements, which suggest that the avian downstroke, not the upstroke, is primarily responsible for body weight support during take-off and landing.

Neutron diffraction determination of atomic mean-square displacements in cubic compounds of Ni-Al and Ni-Al-Cu systems

International Nuclear Information System (INIS)

Khidirov, I.; Mukhtarova, N.N.

2002-01-01

The atomic mean-square displacements (AMSD) are some of important characteristics of the solid and can be the main information for determination of a number of other characteristics of substances. In the work AMSD is determined for a number of cubic compounds of Ni-Al, Ni-Al-Cu systems immediately from intensities of neutron diffraction maxima. It is shown by the offered method that in all NiAl x and NiAlCu x compounds with the CsCl - type structure AMSD are near each other and they are practically constant. Therefore it is possible to assume that within the homogeneity region of these compounds the interatomic bond forces are changed insignificantly

Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics

Science.gov (United States)

Zhang, Linfeng; Han, Jiequn; Wang, Han; Car, Roberto; E, Weinan

2018-04-01

We introduce a scheme for molecular simulations, the deep potential molecular dynamics (DPMD) method, based on a many-body potential and interatomic forces generated by a carefully crafted deep neural network trained with ab initio data. The neural network model preserves all the natural symmetries in the problem. It is first-principles based in the sense that there are no ad hoc components aside from the network model. We show that the proposed scheme provides an efficient and accurate protocol in a variety of systems, including bulk materials and molecules. In all these cases, DPMD gives results that are essentially indistinguishable from the original data, at a cost that scales linearly with system size.

Force Modulator System

Energy Technology Data Exchange (ETDEWEB)

Redmond Clark

2009-04-30

Many metal parts manufacturers use large metal presses to shape sheet metal into finished products like car body parts, jet wing and fuselage surfaces, etc. These metal presses take sheet metal and - with enormous force - reshape the metal into a fully formed part in a manner of seconds. Although highly efficient, the forces involved in forming metal parts also damage the press itself, limit the metals used in part production, slow press operations and, when not properly controlled, cause the manufacture of large volumes of defective metal parts. To date, the metal-forming industry has not been able to develop a metal-holding technology that allows full control of press forces during the part forming process. This is of particular importance in the automotive lightweighting efforts under way in the US automotive manufacturing marketplace. Metalforming Controls Technology Inc. (MC2) has developed a patented press control system called the Force Modulator that has the ability to control these press forces, allowing a breakthrough in stamping process control. The technology includes a series of hydraulic cylinders that provide controlled tonnage at all points in the forming process. At the same time, the unique cylinder design allows for the generation of very high levels of clamping forces (very high tonnages) in very small spaces; a requirement for forming medium and large panels out of HSS and AHSS. Successful production application of these systems testing at multiple stamping operations - including Ford and Chrysler - has validated the capabilities and economic benefits of the system. Although this technology has been adopted in a number of stamping operations, one of the primary barriers to faster adoption and application of this technology in HSS projects is system cost. The cost issue has surfaced because the systems currently in use are built for each individual die as a custom application, thus driving higher tooling costs. This project proposed to better

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

28 CFR 552.21 - Types of force.

Science.gov (United States)

2010-07-01

... 28 Judicial Administration 2 2010-07-01 2010-07-01 false Types of force. 552.21 Section 552.21... Force and Application of Restraints on Inmates § 552.21 Types of force. (a) Immediate use of force. Staff may immediately use force and/or apply restraints when the behavior described in § 552.20...

Resonant forcing of multidimensional chaotic map dynamics.

Science.gov (United States)

Foster, Glenn; Hübler, Alfred W; Dahmen, Karin

2007-03-01

We study resonances of chaotic map dynamics. We use the calculus of variations to determine the additive forcing function that induces the largest response. We find that resonant forcing functions complement the separation of nearby trajectories, in that the product of the displacement of nearby trajectories and the resonant forcing is a conserved quantity. As a consequence, the resonant function will have the same periodicity as the displacement dynamics, and if the displacement dynamics is irregular, then the resonant forcing function will be irregular as well. Furthermore, we show that resonant forcing functions of chaotic systems decrease exponentially, where the rate equals the negative of the largest Lyapunov exponent of the unperturbed system. We compare the response to optimal forcing with random forcing and find that the optimal forcing is particularly effective if the largest Lyapunov exponent is significantly larger than the other Lyapunov exponents. However, if the largest Lyapunov exponent is much larger than unity, then the optimal forcing decreases rapidly and is only as effective as a single-push forcing.

Contribution of Leg-Muscle Forces to Paddle Force and Kayak Speed During Maximal-Effort Flat-Water Paddling.

Science.gov (United States)

Nilsson, Johnny E; Rosdahl, Hans G

2016-01-01

The purpose was to investigate the contribution of leg-muscle-generated forces to paddle force and kayak speed during maximal-effort flat-water paddling. Five elite male kayakers at national and international level participated. The participants warmed up at progressively increasing speeds and then performed a maximal-effort, nonrestricted paddling sequence. This was followed after 5 min rest by a maximal-effort paddling sequence with the leg action restricted--the knee joints "locked." Left- and right-side foot-bar and paddle forces were recorded with specially designed force devices. In addition, knee angular displacement of the right and left knees was recorded with electrogoniometric technique, and the kayak speed was calculated from GPS signals sampled at 5 Hz. The results showed that reduction in both push and pull foot-bar forces resulted in a reduction of 21% and 16% in mean paddle-stroke force and mean kayak speed, respectively. Thus, the contribution of foot-bar force from lower-limb action significantly contributes to kayakers' paddling performance.

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

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.

Piezoresistive cantilever force-clamp system

Energy Technology Data Exchange (ETDEWEB)

Park, Sung-Jin; Petzold, Bryan C.; Pruitt, Beth L. [Department of Mechanical Engineering, Stanford University, Stanford, California 94305 (United States); Goodman, Miriam B. [Department of Molecular and Cellular Physiology, Stanford University, Stanford, California 94305 (United States)

2011-04-15

We present a microelectromechanical device-based tool, namely, a force-clamp system that sets or ''clamps'' the scaled force and can apply designed loading profiles (e.g., constant, sinusoidal) of a desired magnitude. The system implements a piezoresistive cantilever as a force sensor and the built-in capacitive sensor of a piezoelectric actuator as a displacement sensor, such that sample indentation depth can be directly calculated from the force and displacement signals. A programmable real-time controller operating at 100 kHz feedback calculates the driving voltage of the actuator. The system has two distinct modes: a force-clamp mode that controls the force applied to a sample and a displacement-clamp mode that controls the moving distance of the actuator. We demonstrate that the system has a large dynamic range (sub-nN up to tens of {mu}N force and nm up to tens of {mu}m displacement) in both air and water, and excellent dynamic response (fast response time, <2 ms and large bandwidth, 1 Hz up to 1 kHz). In addition, the system has been specifically designed to be integrated with other instruments such as a microscope with patch-clamp electronics. We demonstrate the capabilities of the system by using it to calibrate the stiffness and sensitivity of an electrostatic actuator and to measure the mechanics of a living, freely moving Caenorhabditis elegans nematode.

Microtubules as mechanical force sensors.

Science.gov (United States)

Karafyllidis, Ioannis G; Lagoudas, Dimitris C

2007-03-01

Microtubules are polymers of tubulin subunits (dimers) arranged on a hexagonal lattice. Each tubulin dimer comprises two monomers, the alpha-tubulin and beta-tubulin, and can be found in two states. In the first state a mobile negative charge is located into the alpha-tubulin monomer and in the second into the beta-tubulin monomer. Each tubulin dimer is modeled as an electrical dipole coupled to its neighbors by electrostatic forces. The location of the mobile charge in each dimer depends on the location of the charges in the dimer's neighborhood. Mechanical forces that act on the microtubule affect the distances between the dimers and alter the electrostatic potential. Changes in this potential affect the mobile negative charge location in each dimer and the charge distribution in the microtubule. The net effect is that mechanical forces affect the charge distribution in microtubules. We propose to exploit this effect and use microtubules as mechanical force sensors. We model each dimer as a two-state quantum system and, following the quantum computation paradigm, we use discrete quantum random walk on the hexagonal microtubule lattice to determine the charge distribution. Different forces applied on the microtubule are modeled as different coin biases leading to different probability distributions of the quantum walker location, which are directly connected to different charge distributions. Simulation results show that there is a strong indication that microtubules can be used as mechanical force sensors and that they can also detect the force directions and magnitudes.

Force measurements for levitated bulk superconductors

International Nuclear Information System (INIS)

Tachi, Y.; Sawa, K.; Iwasa, Y.; Nagashima, K.; Otani, T.; Miyamoto, T.; Tomita, M.; Murakami, M.

2000-01-01

We have developed a force measurement system which enables us to directly measure the levitation force of levitated bulk superconductors. Experimental data of the levitation forces were compared with the results of numerical simulation based on the levitation model that we deduced in our previous paper. They were in fairly good agreement, which confirms that our levitation model can be applied to the force analyses for levitated bulk superconductors. (author)

Force measurements for levitated bulk superconductors

Energy Technology Data Exchange (ETDEWEB)

Tachi, Y. [Department of Electrical Engineering, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama (Japan); ISTEC, Superconductivity Research Laboratory, 1-16-25 Shibaura, Minato-ku, Tokyo (Japan). E-mail: tachi at istec.or.jp; Uemura, N. [Department of Electrical Engineering, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama (Japan); ISTEC, Superconductivity Research Laboratory, 1-16-25 Shibaura, Minato-ku, Tokyo (Japan); Sawa, K. [Department of Electrical Engineering, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama (Japan); Iwasa, Y. [Francis Bitter Magnet Laboratory, Massachusetts Institute of Technology, Cambridge, MA (United States); Nagashima, K. [Railway Technical Research Institute, Hikari-cho, Kokubunji-shi, Tokyo (Japan); Otani, T.; Miyamoto, T.; Tomita, M.; Murakami, M. [ISTEC, Superconductivity Research Laboratory, 1-16-25 Shibaura, Minato-ku, Tokyo (Japan)

2000-06-01

We have developed a force measurement system which enables us to directly measure the levitation force of levitated bulk superconductors. Experimental data of the levitation forces were compared with the results of numerical simulation based on the levitation model that we deduced in our previous paper. They were in fairly good agreement, which confirms that our levitation model can be applied to the force analyses for levitated bulk superconductors. (author)

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.

Theoretical study of the elasticity, mechanical behavior, electronic structure, interatomic bonding, and dielectric function of an intergranular glassy film model in prismatic β-Si3N4

International Nuclear Information System (INIS)

Ching, W. Y.; Rulis, Paul; Aryal, Sitaram; Ouyang, Lizhi; Misra, Anil

2010-01-01

Microstructures such as intergranular glassy films (IGFs) are ubiquitous in many structural ceramics. They control many of the important physical properties of polycrystalline ceramics and can be influenced during processing to modify the performance of devices that contain them. In recent years, there has been intense research, both experimentally and computationally, on the structure and properties of IGFs. Unlike grain boundaries or dislocations with well-defined crystalline planes, the atomic scale structure of IGFs, their fundamental electronic interactions, and their bonding characteristics are far more complicated and not well known. In this paper, we present the results of theoretical simulations using ab initio methods on an IGF model in β-Si 3 N 4 with prismatic crystalline planes. The 907-atom model has a dimension of 14.533 A x 15.225 A x 47.420 A . The IGF layer is perpendicular to the z axis, 16.4 A wide, and contains 72 Si, 32 N, and 124 O atoms. Based on this model, the mechanical and elastic properties, the electronic structure, the interatomic bonding, the localization of defective states, the distribution of electrostatic potential, and the optical dielectric function are evaluated and compared with crystalline β-Si 3 N 4 . We have also performed a theoretical tensile experiment on this model by incrementally extending the structure in the direction perpendicular to the IGF plane until the model fully separated. It is shown that fracture occurs at a strain of 9.42% with a maximum stress of 13.9 GPa. The fractured segments show plastic behavior and the formation of surfacial films on the β-Si 3 N 4 . These results are very different from those of a previously studied basal plane model [J. Chen et al., Phys. Rev. Lett. 95, 256103 (2005)] and add insights to the structure and behavior of IGFs in polycrystalline ceramics. The implications of these results and the need for further investigations are discussed.

Effects of force reflection on servomanipulator task performance

International Nuclear Information System (INIS)

Draper, J.V.; Moore, W.E.; Herndon, J.N.; Weil, B.S.

1986-01-01

This paper reports results of a testing program that assessed the impact of force reflection on servomanipulator task performance. The testing program compared three force-reflection levels: 4 to 1 (four units of force on the slave produce one unit of force at the master controller), 1 to 1, and infinity to 1 (no force reflection). Time required to complete tasks, rate of occurrence of errors, the maximum force applied to task components, and variability in forces during completion of representative remote handling tasks were used as dependent variables. Operators exhibited lower error rates, lower peak forces, and more consistent application of forces using force reflection than they did without it. These data support the hypothesis that force reflection provides useful information for servomanipulator operators

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...

Model Testing of Forces in the Reflector Joint and Mooring Forces on Wave Dragon

DEFF Research Database (Denmark)

Gilling, Lasse; Kofoed, Jens Peter; Tedd, James

This report aims to present the results of a test series analysing the forces in the redesigned reflector joint and the forces in the main mooring link. The resluts presented are intended to be used by WD project partners, for the design and construction of the joint on the prototype Wave Dragon...... at Nissum Bredning and for future North Sea scale Wave Dragon. Lengths, forces and other dimentions presented are scaled to the North sea Wave Dragon unless otherwise specified....

A thermodynamic perturbation theory for the surface tension and ion density profile of a liquid metal

International Nuclear Information System (INIS)

Evans, R.; Kumaravadivel, R.

1976-01-01

A simple scheme for determining the ion density profile and the surface tension of a liquid metal is described. Assuming that the interaction between metallic pseudo-ions is of the form introduced by Evans, an approximate expression for the excess free energy of the system is derived using the thermodynamic perturbation theory of Weeks, Chandler and Anderson. This excess free energy is then minimized with respect to a parameter which specifies the ion density profile, and the surface tension is given directly. From a consideration of the dependence of the interionic forces on the electron density it is predicted that the ions should take up a very steep density profile at the liquid metal surface. This behaviour is contrasted with that to be expected for rare-gas fluids in which the interatomic forces are density-independent. The values of the surface tension calculated for liquid Na, K and Al from a simplified version of the theory are in reasonable agreement with experiment. (author)

Coupling of ab initio density functional theory and molecular dynamics for the multiscale modeling of carbon nanotubes

International Nuclear Information System (INIS)

Ng, T Y; Yeak, S H; Liew, K M

2008-01-01

A multiscale technique is developed that couples empirical molecular dynamics (MD) and ab initio density functional theory (DFT). An overlap handshaking region between the empirical MD and ab initio DFT regions is formulated and the interaction forces between the carbon atoms are calculated based on the second-generation reactive empirical bond order potential, the long-range Lennard-Jones potential as well as the quantum-mechanical DFT derived forces. A density of point algorithm is also developed to track all interatomic distances in the system, and to activate and establish the DFT and handshaking regions. Through parallel computing, this multiscale method is used here to study the dynamic behavior of single-walled carbon nanotubes (SWCNTs) under asymmetrical axial compression. The detection of sideways buckling due to the asymmetrical axial compression is reported and discussed. It is noted from this study on SWCNTs that the MD results may be stiffer compared to those with electron density considerations, i.e. first-principle ab initio methods

An equivalent dipole analysis of PZT ceramics and lead-free piezoelectric single crystals

Science.gov (United States)

Bell, Andrew J.

2016-04-01

The recently proposed Equivalent Dipole Model for describing the electromechanical properties of ionic solids in terms of 3 ions and 2 bonds has been applied to PZT ceramics and lead-free single crystal piezoelectric materials, providing analysis in terms of an effective ionic charge and the asymmetry of the interatomic force constants. For PZT it is shown that, as a function of composition across the morphotropic phase boundary, the dominant bond compliance peaks at 52% ZrO2. The stiffer of the two bonds shows little composition dependence with no anomaly at the phase boundary. The effective charge has a maximum value at 50% ZrO2, decreasing across the phase boundary region, but becoming constant in the rhombohedral phase. The single crystals confirm that both the asymmetry in the force constants and the magnitude of effective charge are equally important in determining the values of the piezoelectric charge coefficient and the electromechanical coupling coefficient. Both are apparently temperature dependent, increasing markedly on approaching the Curie temperature.

Negative Knudsen force on heated microbeams

KAUST Repository

Zhu, Taishan

2011-11-18

Knudsen force acting on a heated microbeam adjacent to a cold substrate in a rarefied gas is a mechanical force created by unbalanced thermal gradients. The measured force has its direction pointing towards the side with a lower thermal gradient and its magnitude vanishes in both continuum and free-molecule limits. In our previous study, negative Knudsen forces were discovered at the high Knudsen regime before diminishing in the free-molecule limit. Such a phenomenon was, however, neither observed in experiment [A. Passian et al., Phys. Rev. Lett. 90, 124503 (2003)], nor captured in the latest numerical study [J. Nabeth et al., Phys. Rev. E 83, 066306 (2011)]. In this paper, the existence of such a negative Knudsen force is further confirmed using both numerical simulation and theoretical analysis. The asymptotic order of the Knudsen force near the collisionless limit is analyzed and the analytical expression of its leading term is provided, from which approaches for the enhancement of negative Knudsen forces are proposed. The discovered phenomenon could find its applications in novel mechanisms for pressure sensing and actuation.

Mapping Electrostatic Forces Using Higher Harmonics Tapping Mode Atomic Force Microscopy in Liquid

NARCIS (Netherlands)

van Noort, S.J.T.; Willemsen, O.H.; van der Werf, Kees; de Grooth, B.G.; Greve, Jan

1999-01-01

A simple model of a damped, harmonic oscillator is used to describe the motion of an atomic force microscope cantilever tapping in fluid. By use of experimentally obtained parameters, excellent agreement is found between theory and experimental results. From the model we estimate that the force

Ehrenfest force in inhomogeneous magnetic field

International Nuclear Information System (INIS)

Sisakyan, A.N.; Shevchenko, O.Yu.; Samojlov, V.N.

2000-01-01

The Ehrenfest force in an inhomogeneous magnetic field is calculated. It is shown that there exist such (very rare) topologically nontrivial physical situations when the Gauss theorem in its classic formulation fails and, as a consequence, apart from the usual Lorentz force an additional, purely imaginary force acts on the charged particle. This force arises only in inhomogeneous magnetic fields of special configurations, has a purely quantum origin, and disappears in the classical limit

Thermal creep force: analysis and application

OpenAIRE

Wolfe, David M.

2016-01-01

Approved for public release; distribution is unlimited The existence of two motive forces on a Crookes radiometer has complicated the investigation of either force independently. The thermal creep shear force, in particular, has been subject to differing interpretations of the direction in which it acts and its order of magnitude. A horizontal vane radiometer design is provided, which isolates the thermal creep shear force. The horizontal vane radiometer is explored through experiment, kin...

Centrifugal force: a few surprises

International Nuclear Information System (INIS)

Abramowicz, M.A.; Max-Planck-Institut fuer Physik und Astrophysik, Garching

1990-01-01

The need for a rather fundamental revision in understanding of the nature of the centrifugal force is discussed. It is shown that in general relativity (and contrary to the situation in Newtonian theory) rotation of a reference frame is a necessary but not sufficient condition for the centrifugal force to appear. A sufficient condition for its appearance, in the instantaneously corotating reference frame of a particle, is that the particle motion in space (observed in the global rest frame) differs from a photon trajectory. The direction of the force is the same as that of the gradient of the effective potential for photon motion. In some cases, the centrifugal force will attract towards the axis of rotation. (author)

Children's Typically-Perceived-Situations of Force and No Force in the Context of Australia and Korea

Science.gov (United States)

Joung, Yong Jae; Gunstone, Richard

2010-08-01

Typically-Perceived-Situation (TPS) refers to the situation rising spontaneously in an individual's mind when she/he first thinks of a phenomenon or concept. The purpose of this study is to go well beyond the many studies that describe conceptions of force and explore children's TPS of "force is acting on a thing" and "force is not acting on a thing", and to do this in the differing contexts of Australia and Korea. Data were collected by drawings and written explanations from 145 Grade 6 Australian children and 150 Grade 6 Korean children. These data showed some significant differences between the Australian children's and Korean children's TPSs. For example, considering the whole context of children's TPS, the contexts of "someone pushes or pulls something" and "someone/something is floating in the air or not moving because there is no gravity" were the most frequent ones, as a "force" and as a "no force" situation respectively, in the case of Australian children, while "a sort of energy is provided into someone/something and they can be active/working" and "a sort of energy is not provided into someone/something and they cannot be active/working", were most frequent in the case of Korean children. These differences are very likely the consequence of different everyday meanings for the word "force" in the two cultures. In addition, it appears that these children's TPS affect their judgement of "force" and "no force".

DNA under Force: Mechanics, Electrostatics, and Hydration

Directory of Open Access Journals (Sweden)

Jingqiang Li

2015-02-01

Full Text Available Quantifying the basic intra- and inter-molecular forces of DNA has helped us to better understand and further predict the behavior of DNA. Single molecule technique elucidates the mechanics of DNA under applied external forces, sometimes under extreme forces. On the other hand, ensemble studies of DNA molecular force allow us to extend our understanding of DNA molecules under other forces such as electrostatic and hydration forces. Using a variety of techniques, we can have a comprehensive understanding of DNA molecular forces, which is crucial in unraveling the complex DNA functions in living cells as well as in designing a system that utilizes the unique properties of DNA in nanotechnology.

Variability of a "force signature" during windmill softball pitching and relationship between discrete force variables and pitch velocity.

Science.gov (United States)

Nimphius, Sophia; McGuigan, Michael R; Suchomel, Timothy J; Newton, Robert U

2016-06-01

This study assessed reliability of discrete ground reaction force (GRF) variables over multiple pitching trials, investigated the relationships between discrete GRF variables and pitch velocity (PV) and assessed the variability of the "force signature" or continuous force-time curve during the pitching motion of windmill softball pitchers. Intraclass correlation coefficient (ICC) for all discrete variables was high (0.86-0.99) while the coefficient of variance (CV) was low (1.4-5.2%). Two discrete variables were significantly correlated to PV; second vertical peak force (r(5)=0.81, p=0.03) and time between peak forces (r(5)=-0.79; p=0.03). High ICCs and low CVs support the reliability of discrete GRF and PV variables over multiple trials and significant correlations indicate there is a relationship between the ability to produce force and the timing of this force production with PV. The mean of all pitchers' curve-average standard deviation of their continuous force-time curves demonstrated low variability (CV=4.4%) indicating a repeatable and identifiable "force signature" pattern during this motion. As such, the continuous force-time curve in addition to discrete GRF variables should be examined in future research as a potential method to monitor or explain changes in pitching performance. Copyright © 2016 Elsevier B.V. All rights reserved.

Negative Knudsen force on heated microbeams

KAUST Repository

Zhu, Taishan; Ye, Wenjing; Zhang, Jun

2011-01-01

Knudsen force acting on a heated microbeam adjacent to a cold substrate in a rarefied gas is a mechanical force created by unbalanced thermal gradients. The measured force has its direction pointing towards the side with a lower thermal gradient

Hydrodynamic forces on inundated bridge decks

Science.gov (United States)

2009-05-01

The hydrodynamic forces experienced by an inundated bridge deck have great importance in the design of bridges. Specifically, the drag force, lift force, and the moment acting on the bridge deck under various levels of inundation and a range of flow ...

Force.com enterprise architecture

CERN Document Server

Fawcett, Andrew

2014-01-01

This book is for advanced Force.com developers and architects who need to understand the Salesforce platform from the perspective of enterprise-level requirements. You should have an existing understanding of Apex and Visualforce. Those familiar with other enterprise software ecosystems will also find this book ideal as they adopt Force.com.

Quantitative assessment of contact and non-contact lateral force calibration methods for atomic force microscopy

Energy Technology Data Exchange (ETDEWEB)

Tran Khac, Bien Cuong; Chung, Koo-Hyun, E-mail: khchung@ulsan.ac.kr

2016-02-15

Atomic Force Microscopy (AFM) has been widely used for measuring friction force at the nano-scale. However, one of the key challenges faced by AFM researchers is to calibrate an AFM system to interpret a lateral force signal as a quantifiable force. In this study, five rectangular cantilevers were used to quantitatively compare three different lateral force calibration methods to demonstrate the legitimacy and to establish confidence in the quantitative integrity of the proposed methods. The Flat-Wedge method is based on a variation of the lateral output on a surface with flat and changing slopes, the Multi-Load Pivot method is based on taking pivot measurements at several locations along the cantilever length, and the Lateral AFM Thermal-Sader method is based on determining the optical lever sensitivity from the thermal noise spectrum of the first torsional mode with a known torsional spring constant from the Sader method. The results of the calibration using the Flat-Wedge and Multi-Load Pivot methods were found to be consistent within experimental uncertainties, and the experimental uncertainties of the two methods were found to be less than 15%. However, the lateral force sensitivity determined by the Lateral AFM Thermal-Sader method was found to be 8–29% smaller than those obtained from the other two methods. This discrepancy decreased to 3–19% when the torsional mode correction factor for an ideal cantilever was used, which suggests that the torsional mode correction should be taken into account to establish confidence in Lateral AFM Thermal-Sader method. - Highlights: • Quantitative assessment of three lateral force calibration methods for AFM. • Advantages and disadvantages of three different lateral force calibration method. • Implementation of Multi-Load Pivot method as non-contact calibration technique. • The torsional mode correction for Lateral AFM Thermal-Sader method.

Quantitative assessment of contact and non-contact lateral force calibration methods for atomic force microscopy

International Nuclear Information System (INIS)

Tran Khac, Bien Cuong; Chung, Koo-Hyun

2016-01-01

Atomic Force Microscopy (AFM) has been widely used for measuring friction force at the nano-scale. However, one of the key challenges faced by AFM researchers is to calibrate an AFM system to interpret a lateral force signal as a quantifiable force. In this study, five rectangular cantilevers were used to quantitatively compare three different lateral force calibration methods to demonstrate the legitimacy and to establish confidence in the quantitative integrity of the proposed methods. The Flat-Wedge method is based on a variation of the lateral output on a surface with flat and changing slopes, the Multi-Load Pivot method is based on taking pivot measurements at several locations along the cantilever length, and the Lateral AFM Thermal-Sader method is based on determining the optical lever sensitivity from the thermal noise spectrum of the first torsional mode with a known torsional spring constant from the Sader method. The results of the calibration using the Flat-Wedge and Multi-Load Pivot methods were found to be consistent within experimental uncertainties, and the experimental uncertainties of the two methods were found to be less than 15%. However, the lateral force sensitivity determined by the Lateral AFM Thermal-Sader method was found to be 8–29% smaller than those obtained from the other two methods. This discrepancy decreased to 3–19% when the torsional mode correction factor for an ideal cantilever was used, which suggests that the torsional mode correction should be taken into account to establish confidence in Lateral AFM Thermal-Sader method. - Highlights: • Quantitative assessment of three lateral force calibration methods for AFM. • Advantages and disadvantages of three different lateral force calibration method. • Implementation of Multi-Load Pivot method as non-contact calibration technique. • The torsional mode correction for Lateral AFM Thermal-Sader method.

Force feedback and basic laparoscopic skills

NARCIS (Netherlands)

Chmarra, M.K.; Dankelman, J.; Van den Dobbelsteen, J.J.; Jansen, F.W.

2008-01-01

Background - Not much is known about the exact role offorce feedback in laparoscopy. This study aimed to determine whether force feedback influences movements of instruments during training in laparoscopic tasks and whether force feedback is required for training in basic laparoscopic force

Grasp force sensor for robotic hands

Science.gov (United States)

Scheinman, Victor D. (Inventor); Bejczy, Antal K. (Inventor); Primus, Howard C. (Inventor)

1989-01-01

A grasp force sensor for robotic hands is disclosed. A flexible block is located in the base of each claw through which the grasp force is exerted. The block yields minute parallelogram deflection when the claws are subjected to grasping forces. A parallelogram deflection closely resembles pure translational deflection, whereby the claws remain in substantial alignment with each other during grasping. Strain gauge transducers supply signals which provide precise knowledge of and control over grasp forces.

Down force calibration stand test report

International Nuclear Information System (INIS)

BOGER, R.M.

1999-01-01

The Down Force Calibration Stand was developed to provide an improved means of calibrating equipment used to apply, display and record Core Sample Truck (CST) down force. Originally, four springs were used in parallel to provide a system of resistance that allowed increasing force over increasing displacement. This spring system, though originally deemed adequate, was eventually found to be unstable laterally. For this reason, it was determined that a new method for resisting down force was needed

Measurements of the Casimir-Lifshitz force in fluids: The effect of electrostatic forces and Debye screening

Science.gov (United States)

Munday, J. N.; Capasso, Federico; Parsegian, V. Adrian; Bezrukov, Sergey M.

2008-09-01

We present detailed measurements of the Casimir-Lifshitz force between two gold surfaces (a sphere and a plate) immersed in ethanol and study the effect of residual electrostatic forces, which are dominated by static fields within the apparatus and can be reduced with proper shielding. Electrostatic forces are further reduced by Debye screening through the addition of salt ions to the liquid. Additionally, the salt leads to a reduction of the Casimir-Lifshitz force by screening the zero-frequency contribution to the force; however, the effect is small between gold surfaces at the measured separations and within experimental error. An improved calibration procedure is described and compared with previous methods. Finally, the experimental results are compared with Lifshitz’s theory and found to be consistent for the materials used in the experiment.

Virtual Reality Tumor Resection: The Force Pyramid Approach.

Science.gov (United States)

Sawaya, Robin; Bugdadi, Abdulgadir; Azarnoush, Hamed; Winkler-Schwartz, Alexander; Alotaibi, Fahad E; Bajunaid, Khalid; AlZhrani, Gmaan A; Alsideiri, Ghusn; Sabbagh, Abdulrahman J; Del Maestro, Rolando F

2017-09-05

The force pyramid is a novel visual representation allowing spatial delineation of instrument force application during surgical procedures. In this study, the force pyramid concept is employed to create and quantify dominant hand, nondominant hand, and bimanual force pyramids during resection of virtual reality brain tumors. To address 4 questions: Do ergonomics and handedness influence force pyramid structure? What are the differences between dominant and nondominant force pyramids? What is the spatial distribution of forces applied in specific tumor quadrants? What differentiates "expert" and "novice" groups regarding their force pyramids? Using a simulated aspirator in the dominant hand and a simulated sucker in the nondominant hand, 6 neurosurgeons and 14 residents resected 8 different tumors using the CAE NeuroVR virtual reality neurosurgical simulation platform (CAE Healthcare, Montréal, Québec and the National Research Council Canada, Boucherville, Québec). Position and force data were used to create force pyramids and quantify tumor quadrant force distribution. Force distribution quantification demonstrates the critical role that handedness and ergonomics play on psychomotor performance during simulated brain tumor resections. Neurosurgeons concentrate their dominant hand forces in a defined crescent in the lower right tumor quadrant. Nondominant force pyramids showed a central peak force application in all groups. Bimanual force pyramids outlined the combined impact of each hand. Distinct force pyramid patterns were seen when tumor stiffness, border complexity, and color were altered. Force pyramids allow delineation of specific tumor regions requiring greater psychomotor ability to resect. This information can focus and improve resident technical skills training. Copyright © 2017 by the Congress of Neurological Surgeons

Force-Induced Unravelling of DNA Origami.

Science.gov (United States)

Engel, Megan C; Smith, David M; Jobst, Markus A; Sajfutdinow, Martin; Liedl, Tim; Romano, Flavio; Rovigatti, Lorenzo; Louis, Ard A; Doye, Jonathan P K

2018-05-31

The mechanical properties of DNA nanostructures are of widespread interest as applications that exploit their stability under constant or intermittent external forces become increasingly common. We explore the force response of DNA origami in comprehensive detail by combining AFM single molecule force spectroscopy experiments with simulations using oxDNA, a coarse-grained model of DNA at the nucleotide level, to study the unravelling of an iconic origami system: the Rothemund tile. We contrast the force-induced melting of the tile with simulations of an origami 10-helix bundle. Finally, we simulate a recently-proposed origami biosensor, whose function takes advantage of origami behaviour under tension. We observe characteristic stick-slip unfolding dynamics in our force-extension curves for both the Rothemund tile and the helix bundle and reasonable agreement with experimentally observed rupture forces for these systems. Our results highlight the effect of design on force response: we observe regular, modular unfolding for the Rothemund tile that contrasts with strain-softening of the 10-helix bundle which leads to catastropic failure under monotonically increasing force. Further, unravelling occurs straightforwardly from the scaffold ends inwards for the Rothemund tile, while the helix bundle unfolds more nonlinearly. The detailed visualization of the yielding events provided by simulation allows preferred pathways through the complex unfolding free-energy landscape to be mapped, as a key factor in determining relative barrier heights is the extensional release per base pair broken. We shed light on two important questions: how stable DNA nanostructures are under external forces; and what design principles can be applied to enhance stability.

Forced excitation and active control for the measurement of fluid-elastic forces

International Nuclear Information System (INIS)

Caillaud, Sebastien

1999-01-01

The action of a fluid flow on a tubes bundle is commonly decomposed into a random turbulent excitation and a fluid-elastic excitation. The fluid-elastic forces which are coupled to the tubes movement can be experimentally determined from an analysis of the vibratory response of the structure excited by turbulent forces. For low flow velocities, the turbulent excitation can be insufficient to make the tube significantly vibrate and to permit a correct vibratory analysis. On the opposite side, the structure can become unstable for high flow velocities: the fluid-elastic forces make the fluid-structure damping system fall towards zero. Two experimental methods are proposed in order to extend the considered flow rate. An additional excitation force allows to increase the tube vibration level for improving the signal-noise ratio at low velocities. When the tube is submitted to fluid-elastic instability, an artificial damping contribution by active control allows to stabilize it. Methods are implemented on a flexible tube inserted into rigid tubes bundle water and water-air transverse flows. Two actuator technologies are used: an electromagnetic exciter and piezoelectric actuators. The additional excitation method shows that the fluid-elastic forces remain insignificant at low velocity single phase flow. With the active control method, it is possible to carry out tests beyond the fluid-elastic instability. In two-phase flow, the stabilization of the structure is observed for low vacuum rates. The obtained new results are analyzed with the literature expected results in terms of fluid-elastic coupling and turbulent excitation. (author) [fr

Standard practice of calibration of force-measuring instruments for verifying the force indication of testing machines

CERN Document Server

American Society for Testing and Materials. Philadelphia

2006-01-01

1.1 The purpose of this practice is to specify procedures for the calibration of force-measuring instruments. Procedures are included for the following types of instruments: 1.1.1 Elastic force-measuring instruments, and 1.1.2 Force-multiplying systems, such as balances and small platform scales. Note 1Verification by deadweight loading is also an acceptable method of verifying the force indication of a testing machine. Tolerances for weights for this purpose are given in Practices E 4; methods for calibration of the weights are given in NIST Technical Note 577, Methods of Calibrating Weights for Piston Gages. 1.2 The values stated in SI units are to be regarded as the standard. Other metric and inch-pound values are regarded as equivalent when required. 1.3 This practice is intended for the calibration of static force measuring instruments. It is not applicable for dynamic or high speed force calibrations, nor can the results of calibrations performed in accordance with this practice be assumed valid for...

Constructive consequences of leaders' forcing influence styles

NARCIS (Netherlands)

Emans, B.J.M.; Munduate, L; Klaver, E; Van de Vliert, E.

In contrast to non-forcing influence styles used by leaders, their forcing influence styles are commonly found to be ineffective, evoking sheer resistance, rather than compliance. As a corollary of conglomerate conflict behavior theory, we state that forcing, if combined with non-forcing, may

The effect of magnet size on the levitation force and attractive force of single-domain YBCO bulk superconductors

International Nuclear Information System (INIS)

Yang, W M; Chao, X X; Bian, X B; Liu, P; Feng, Y; Zhang, P X; Zhou, L

2003-01-01

The levitation forces between a single-domain YBCO bulk and several magnets of different sizes have been measured at 77 K to investigate the effect of the magnet size on the levitation force. It is found that the levitation force reaches a largest (peak) value when the size of the magnet approaches that of the superconductor when the other conditions are fixed. The absolute maximum attractive force (in the field-cooled state) increases with the increasing of the magnet size, and is saturated when the magnet size approaches that of the superconductor. The maximum attractive force in the field-cooled (FC) state is much higher than that of the maximum attractive force in the zero field-cooled (ZFC) state. The results indicate that the effects of magnetic field distribution on the levitation force have to be considered during the designing and manufacturing of superconducting devices

10 CFR 1047.7 - Use of deadly force.

Science.gov (United States)

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Use of deadly force. 1047.7 Section 1047.7 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) LIMITED ARREST AUTHORITY AND USE OF FORCE BY PROTECTIVE FORCE OFFICERS General Provisions § 1047.7 Use of deadly force. (a) Deadly force means that force which a...

PLA Reforms and Chinas Nuclear Forces

Science.gov (United States)

2016-10-01

Specifically, “the value and the capability of the Rocket Force should lie in the strengthening of the credible and reliable nuclear deterrence and... deterrent imply a cap on the size of nuclear forces and the missions as- signed to them.41 However, the Rocket Force could seek to capitalize on its...JFQ 83, 4th Quarter 2016 Logan 57 PLA Reforms and China’s Nuclear Forces By David C. Logan C hina is in the midst of sweeping military reforms that

Gravity as Quantum Entanglement Force

OpenAIRE

Lee, Jae-Weon; Kim, Hyeong-Chan; Lee, Jungjai

2010-01-01

We conjecture that the total quantum entanglement of matter and vacuum in the universe tends to increase with time, like entropy, and that an effective force is associated with this tendency. We also suggest that gravity and dark energy are types of quantum entanglement forces, similar to Verlinde's entropic force, and give holographic dark energy with an equation of state comparable to current observational data. This connection between quantum entanglement and gravity could give some new in...

Joint Force Quarterly. Number 2, Autumn 1993

Science.gov (United States)

1993-09-01

Typography and Design Division Government Printing Office Joint Force Quarterly is published by the Institute for National Strategic Studies, National...Decisions regard- ing the key force will affect many factors in the new environment. It determines reaction time, how much and what type of force to...shelters destroyed? Only indirectly. Attacks on shel- ters had forced a reaction by the Iraqis, one that caused the loss of their air arm as a force in

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.

The Martini Coarse-Grained Force Field

NARCIS (Netherlands)

Periole, X.; Marrink, S.J.; Monticelli, Luca; Salonen, Emppu

2013-01-01

The Martini force field is a coarse-grained force field suited for molecular dynamics simulations of biomolecular systems. The force field has been parameterized in a systematic way, based on the reproduction of partitioning free energies between polar and apolar phases of a large number of chemical

Quantification of Staphylococcus aureus adhesion forces on various dental restorative materials using atomic force microscopy

Energy Technology Data Exchange (ETDEWEB)

Merghni, Abderrahmen, E-mail: abderrahmen_merghni@yahoo.fr [Laboratoire des Maladies Transmissibles et Substances biologiquement actives (LR99ES27) Faculté de Pharmacie de Monastir, Université de Monastir (Tunisia); Kammoun, Dorra [Laboratoire de Biomatériaux et Biotechnologie, Faculté de Médecine Dentaire, Monastir (Tunisia); Hentati, Hajer [Laboratoire de Recherche en Santé Orale et Réhabilitation Bucco-Faciale (LR12ES11), Faculté de Médecine Dentaire de Monastir, Université de Monastir (Tunisia); Janel, Sébastien [BioImaging Center Lille-FR3642, Lille (France); Popoff, Michka [Cellular Microbiology and Physics of Infection-CNRS UMR8204, INSERM U1019, Institut Pasteur de Lille, Lille University (France); Lafont, Frank [BioImaging Center Lille-FR3642, Lille (France); Cellular Microbiology and Physics of Infection-CNRS UMR8204, INSERM U1019, Institut Pasteur de Lille, Lille University (France); Aouni, Mahjoub [Laboratoire des Maladies Transmissibles et Substances biologiquement actives (LR99ES27) Faculté de Pharmacie de Monastir, Université de Monastir (Tunisia); Mastouri, Maha [Laboratoire des Maladies Transmissibles et Substances biologiquement actives (LR99ES27) Faculté de Pharmacie de Monastir, Université de Monastir (Tunisia); Laboratoire de Microbiologie, CHU Fattouma Bourguiba de Monastir (Tunisia)

2016-08-30

Highlights: • 4 dental restorative materials were characterized for roughness, angle contact water and surface free energy. • AFM adhesion forces of S. aureus to tested materials were achieved in presence and absence of salivary conditioning film. • S. aureus initial adhesion is dependent on the surface free energy and roughness. - Abstract: In the oral cavity dental restorative biomaterials can act as a reservoir for infection with opportunistic Staphylococcus aureus pathogen, which can lead to the occurrence of secondary caries and treatment failures. Our aim was to evaluate the adhesion forces by S. aureus on four dental restorative biomaterials and to correlate this finding to differences in specific surface characteristics. Additionally, the influence of salivary conditioning films in exerted adhesion forces was investigated. The substrate hydrophobicity was measured by goniometer and the surface free energy was calculated using the equilibrium advancing contact angle values of water, formamide, and diiodomethane on the tested surfaces. The surface roughness was determined using atomic force microscope (AFM). Additionally, cell force spectroscopy was achieved to quantify the forces that drive cell-substrate interactions. S. aureus bacterium exerted a considerable adhesion forces on various dental restorative materials, which decreased in the presence of saliva conditioning film. The influence of the surface roughness and free energy in initial adhesion appears to be more important than the effect of hydrophobicity, either in presence or absence of saliva coating. Hence, control of surface properties of dental restorative biomaterials is of crucial importance in preventing the attachment and subsequent the biofilm formation.

Quantification of Staphylococcus aureus adhesion forces on various dental restorative materials using atomic force microscopy

International Nuclear Information System (INIS)

Merghni, Abderrahmen; Kammoun, Dorra; Hentati, Hajer; Janel, Sébastien; Popoff, Michka; Lafont, Frank; Aouni, Mahjoub; Mastouri, Maha

2016-01-01

Highlights: • 4 dental restorative materials were characterized for roughness, angle contact water and surface free energy. • AFM adhesion forces of S. aureus to tested materials were achieved in presence and absence of salivary conditioning film. • S. aureus initial adhesion is dependent on the surface free energy and roughness. - Abstract: In the oral cavity dental restorative biomaterials can act as a reservoir for infection with opportunistic Staphylococcus aureus pathogen, which can lead to the occurrence of secondary caries and treatment failures. Our aim was to evaluate the adhesion forces by S. aureus on four dental restorative biomaterials and to correlate this finding to differences in specific surface characteristics. Additionally, the influence of salivary conditioning films in exerted adhesion forces was investigated. The substrate hydrophobicity was measured by goniometer and the surface free energy was calculated using the equilibrium advancing contact angle values of water, formamide, and diiodomethane on the tested surfaces. The surface roughness was determined using atomic force microscope (AFM). Additionally, cell force spectroscopy was achieved to quantify the forces that drive cell-substrate interactions. S. aureus bacterium exerted a considerable adhesion forces on various dental restorative materials, which decreased in the presence of saliva conditioning film. The influence of the surface roughness and free energy in initial adhesion appears to be more important than the effect of hydrophobicity, either in presence or absence of saliva coating. Hence, control of surface properties of dental restorative biomaterials is of crucial importance in preventing the attachment and subsequent the biofilm formation.

SU(6) symmetry and the quark forces

International Nuclear Information System (INIS)

Bartnik, E.A.; Namyslowski, J.M.

1984-01-01

The short distance forces between 3 valence quarks in the proton are investigated in perturbative QCD formulated on the light cone. These forces are the driving terms in the Brodsky-Lepage type evolution equation for the partially decomposed distribution amplitudes. The one-gluon exchange force, which is the lowest order force in the running coupling constant αsub(s) retains the SU(6) symmetry, while the αsub(s) 2 -order force, corresponding to one Coulomb gluon and one transverse gluon, breaks the SU(6) symmetry. The latter force contributes to the deviation from 1/2 of the d/u ratio for the proton, observed experimentally. In the kinematical domain of one fast quark, the αsub(s) 2 -order force gives the leading (1-x) 3 behaviour of the deep inelastic structure function F 2 (x), in contrast to the αsub(s)-order force, which gives (1-x) 5 , for xapprox.=1. (orig.)

Attentional Focusing Instructions and Force Production

Directory of Open Access Journals (Sweden)

David C Marchant

2011-01-01

Full Text Available Research progress assessing the role of attentional focusing instructions on skill acquisition and performance has lead researchers to apply this approach to force production tasks. Initial converging evidence indicates that force production tasks are sensitive to verbal instruction; externally focused instructions (onto movement outcomes, or onto the object force is being exerted against are shown to be more beneficial than internally focused instructions (focusing attention onto the movements being executed. These benefits are observed for maximal and accurate force production, as well as the maintenance of force production in prolonged tasks. A range of mechanisms are identified supporting the proposal that an external focus promotes movement efficiency in line with energy and effort conservation. Future research is required to assess how this developing body of work interacts with the broader understanding of psychological and physiological factors implicated in the effective production, maintenance and limitation of maximal or sub-maximal forces.

Electromagnetic force support for thermonuclear device

International Nuclear Information System (INIS)

Sugimoto, Makoto; Yoshida, Kiyoshi; Tachikawa, Nobuo; Omori, Junji.

1992-01-01

The device of the present invention certainly supports electromagnetic force exerted on toroidal magnetic field coils. That is, a pair of support members are disposed being abutted against each other between toroidal magnetic field coils disposed radially in the torus direction of a vacuum vessel. Both of the support members are connected under an insulative state by way of an insulative structural portion having an insulation key. In addition, each of the support members and each of the toroidal magnetic field coils are connected by electromagnetic force support portions having a metal taper key and a metal spacer and supporting the electromagnetic force. With such a constitution, the electromagnetic force exerted on the toroidal magnetic field coils is supported by the electromagnetic force support portion having the metal taper key and the metal spacer. As a result, stable electromagnetic force support can be attained. Further, since the insulative structural portion has the insulation key, it can be assembled easily. (I.S.)

The Cytoskeleton and Force Response Mechanisms

Science.gov (United States)

Allen, Philip Goodwin

2003-01-01

The long term aim of this project was to define the mechanisms by which cells sense and respond to the physical forces experienced at 1g and missing in microgravity. Identification and characterization of the elements of the cells force response mechanism could provide pathways and molecules to serve as targets for pharmacological intervention to mitigate the pathologic effects of microgravity. Mechanical forces experienced by the organism can be transmitted to cells through molecules that allow cells to bind to the extracellular matrix and through other types of molecules which bind cells to each other. These molecules are coupled in large complexes of proteins to structural elements such as the actin cytoskeleton that give the cell the ability to sense, resist and respond to force. Application of small forces to tissue culture cells causes local elevation of intracellular calcium through stretch activated ion channels, increased tyrosine phosphorylation and a restructuring of the actin cytoskeleton. Using collagen coated iron oxide beads and strong magnets, we can apply different levels of force to cells in culture. We have found that force application causes the cells to polymerize actin at the site of mechanical deformation and unexpectedly, to depolymerize actin across the rest of the cell. Observations of GFP- actin expressing cells demonstrate that actin accumulates at the site of deformation within the first five minutes of force application and is maintained for many tens of minutes after force is removed. Consistent with the reinforcement of the cytoskeletal structures underlying the integrin-bead interaction, force also alters the motion of bound magnetic beads. This effect is seen following the removal of the magnetic field, and is only partially ablated by actin disruption with cytochalsin B. While actin is polymerizing locally at the site of force application, force also stimulates a global reduction in actin filament content within the cells. We have

Casimir Force Between Quantum Plasmas

International Nuclear Information System (INIS)

Buenzli, P.

2005-01-01

Field fluctuations are responsible for an attractive force - the Casimir force - between two parallel (globally neutral) metallic plates separated by a distance d. At high temperature, or equivalently large d, this force is known to exhibit a classical and universal character (independent of the material constitution of the plates). In a recent work, we have displayed the microscopic mechanisms responsible for this universality within a classical model. The plates consist of slabs containing classical charged particles in fluid phase and thermal equilibrium (plasmas). The universality of the force proves to originate from screening sum rules satisfied by the charge correlations. Here we show how this result is altered when the quantum-mechanical nature of the particles is taken into account. It turns out that in addition to the classical result, the asymptotic force for large d comprises a non-universal quantum correction, which is, however, small at high temperature. The method relies on an exact representation of the charge correlations by quantum Mayer graphs, based on the Feynman-Kac path integral formalism. (author)

Cryotherapy, Sensation, and Isometric-Force Variability

Science.gov (United States)

Denegar, Craig R.; Buckley, William E.; Newell, Karl M.

2003-01-01

Objective: To determine the changes in sensation of pressure, 2-point discrimination, and submaximal isometric-force production variability due to cryotherapy. Design and Setting: Sensation was assessed using a 2 × 2 × 2 × 3 repeated-measures factorial design, with treatment (ice immersion or control), limb (right or left), digit (finger or thumb), and sensation test time (baseline, posttreatment, or postisometric-force trials) as independent variables. Dependent variables were changes in sensation of pressure and 2-point discrimination. Isometric-force variability was tested with a 2 × 2 × 3 repeated-measures factorial design. Treatment condition (ice immersion or control), limb (right or left), and percentage (10, 25, or 40) of maximal voluntary isometric contraction (MVIC) were the independent variables. The dependent variables were the precision or variability (the standard deviation of mean isometric force) and the accuracy or targeting error (the root mean square error) of the isometric force for each percentage of MVIC. Subjects: Fifteen volunteer college students (8 men, 7 women; age = 22 ± 3 years; mass = 72 ± 21.9 kg; height = 183.4 ± 11.6 cm). Measurements: We measured sensation in the distal palmar aspect of the index finger and thumb. Sensation of pressure and 2-point discrimination were measured before treatment (baseline), after treatment (15 minutes of ice immersion or control), and at the completion of isometric testing (final). Variability (standard deviation of mean isometric force) of the submaximal isometric finger forces was measured by having the subjects exert a pinching force with the thumb and index finger for 30 seconds. Subjects performed the pinching task at the 3 submaximal levels of MVIC (10%, 25%, and 40%), with the order of trials assigned randomly. The subjects were given a target representing the submaximal percentage of MVIC and visual feedback of the force produced as they pinched the testing device. The force exerted

Polymer translocation under a pulling force: Scaling arguments and threshold forces

Science.gov (United States)

Menais, Timothée

2018-02-01

DNA translocation through nanopores is one of the most promising strategies for next-generation sequencing technologies. Most experimental and numerical works have focused on polymer translocation biased by electrophoresis, where a pulling force acts on the polymer within the nanopore. An alternative strategy, however, is emerging, which uses optical or magnetic tweezers. In this case, the pulling force is exerted directly at one end of the polymer, which strongly modifies the translocation process. In this paper, we report numerical simulations of both linear and structured (mimicking DNA) polymer models, simple enough to allow for a statistical treatment of the pore structure effects on the translocation time probability distributions. Based on extremely extended computer simulation data, we (i) propose scaling arguments for an extension of the predicted translocation times τ ˜N2F-1 over the moderate forces range and (ii) analyze the effect of pore size and polymer structuration on translocation times τ .

Magnus Force and Aharonov-Bohm Effect in Superfluids

OpenAIRE

Sonin, E. B.

2001-01-01

The paper addresses the problem of the transverse force (Magnus force) on a vortex in a Galilean invariant quantum Bose liquid. Interaction of quasiparticles (phonons) with a vortex produces an additional transverse force (Iordanskii force). The Iordanskii force is related to the acoustic Aharonov--Bohm effect.Connection of the effective Magnus force with the Berry phase is also discussed.

From Territorial Defence to Expeditionary Forces

DEFF Research Database (Denmark)

Nyemann, Dorthe; Staun, Jørgen Meedom

2016-01-01

After the Cold War the Danish Armed Forces moved away from its traditional role of territorial defense of Danish soil and towards a role as a globally deployable expeditionary force, imbedded with UK and/or US forces. This shift in national strategy amplified the requirements of the young officer...

Rebalancing the Air Force: A Comprehensive Solution

Science.gov (United States)

2011-02-16

the consequences can be significant. High Tempo (Figure 4) Lt Gen Charles E. Stenner , Jr., Chief of the Air Force Reserve, stated while...29 January 2010. 14 Lt Gen Charles E. Stenner Jr., Chief of the Air Force Reserve, ―Total Force Policy 21: A 21 st Century Framework for...Military Force Mix Decisions,‖ White Paper, 15 July 2010. 15 Lt Gen Charles E. Stenner Jr., Chief of the Air Force Reserve, ―Testimony Before the House

Manipulating bubbles with secondary Bjerknes forces

Energy Technology Data Exchange (ETDEWEB)

Lanoy, Maxime [Institut Langevin, ESPCI ParisTech, CNRS (UMR 7587), PSL Research University, 1 rue Jussieu, 75005 Paris (France); Laboratoire Matière et Systèmes Complexes, Université Paris-Diderot, CNRS (UMR 7057), 10 rue Alice Domon et Léonie Duquet, 75013 Paris (France); Derec, Caroline; Leroy, Valentin [Laboratoire Matière et Systèmes Complexes, Université Paris-Diderot, CNRS (UMR 7057), 10 rue Alice Domon et Léonie Duquet, 75013 Paris (France); Tourin, Arnaud [Institut Langevin, ESPCI ParisTech, CNRS (UMR 7587), PSL Research University, 1 rue Jussieu, 75005 Paris (France)

2015-11-23

Gas bubbles in a sound field are submitted to a radiative force, known as the secondary Bjerknes force. We propose an original experimental setup that allows us to investigate in detail this force between two bubbles, as a function of the sonication frequency, as well as the bubbles radii and distance. We report the observation of both attractive and, more interestingly, repulsive Bjerknes force, when the two bubbles are driven in antiphase. Our experiments show the importance of taking multiple scatterings into account, which leads to a strong acoustic coupling of the bubbles when their radii are similar. Our setup demonstrates the accuracy of secondary Bjerknes forces for attracting or repealing a bubble, and could lead to new acoustic tools for noncontact manipulation in microfluidic devices.

Manipulating bubbles with secondary Bjerknes forces

International Nuclear Information System (INIS)

Lanoy, Maxime; Derec, Caroline; Leroy, Valentin; Tourin, Arnaud

2015-01-01

Gas bubbles in a sound field are submitted to a radiative force, known as the secondary Bjerknes force. We propose an original experimental setup that allows us to investigate in detail this force between two bubbles, as a function of the sonication frequency, as well as the bubbles radii and distance. We report the observation of both attractive and, more interestingly, repulsive Bjerknes force, when the two bubbles are driven in antiphase. Our experiments show the importance of taking multiple scatterings into account, which leads to a strong acoustic coupling of the bubbles when their radii are similar. Our setup demonstrates the accuracy of secondary Bjerknes forces for attracting or repealing a bubble, and could lead to new acoustic tools for noncontact manipulation in microfluidic devices

MEMS Bragg grating force sensor

DEFF Research Database (Denmark)

Reck, Kasper; Thomsen, Erik Vilain; Hansen, Ole

2011-01-01

We present modeling, design, fabrication and characterization of a new type of all-optical frequency modulated MEMS force sensor based on a mechanically amplified double clamped waveguide beam structure with integrated Bragg grating. The sensor is ideally suited for force measurements in harsh...... environments and for remote and distributed sensing and has a measured sensitivity of -14 nm/N, which is several times higher than what is obtained in conventional fiber Bragg grating force sensors. © 2011 Optical Society of America....

Sensing And Force-Reflecting Exoskeleton

Science.gov (United States)

Eberman, Brian; Fontana, Richard; Marcus, Beth

1993-01-01

Sensing and force-reflecting exoskeleton (SAFiRE) provides control signals to robot hand and force feedback from robot hand to human operator. Operator makes robot hand touch objects gently and manipulates them finely without exerting excessive forces. Device attaches to operator's hand; comfortable and lightweight. Includes finger exoskeleton, cable mechanical transmission, two dc servomotors, partial thumb exoskeleton, harness, amplifier box, two computer circuit boards, and software. Transduces motion of index finger and thumb. Video monitor of associated computer displays image corresponding to motion.

Nuclear forces and chiral theories

International Nuclear Information System (INIS)

Friar, J.L.; Washington Univ., Seattle, WA

1995-01-01

Recent successes in ab initio calculations of light nuclei (A=2-6) will be reviewed and correlated with the dynamical consequences of chiral symmetry. The tractability of nuclear physics evinced by these results is evidence for that symmetry. The relative importance of three-nucleon forces, four-nucleon forces, multi-pion exchanges, and relativistic corrections will be discussed in the context of effective field theories and dimensional power counting. Isospin violation in the nuclear force will also be discussed in this context

Finger Forces in Clarinet Playing

Directory of Open Access Journals (Sweden)

Alex Hofmann

2016-08-01

Full Text Available Clarinettists close and open multiple tone holes to alter the pitch of the tones. Their fingering technique must be fast, precise, and coordinated with the tongue articulation. In this empirical study, finger force profiles and tongue techniques of clarinet students (N = 17 and professional clarinettists (N = 6 were investigated under controlled performance conditions. First, in an expressive-performance task, eight selected excerpts from the first Weber Concerto were performed. These excerpts were chosen to fit in a 2 x 2 x 2 design (register: low--high; tempo: slow--fast, dynamics: soft--loud. There was an additional condition controlled by the experimenter, which determined the expression levels (low--high of the performers. Second, a technical-exercise task, an isochronous 23-tone melody was designed that required different effectors to produce the sequence (finger-only, tongue-only, combined tongue-finger actions. The melody was performed in three tempo conditions (slow, medium, fast in a synchronization-continuation paradigm. Participants played on a sensor-equipped Viennese clarinet, which tracked finger forces and reed oscillations simultaneously. From the data, average finger force (Fmean and peak force (Fmax were calculated. The overall finger forces were low (Fmean = 1.17 N, Fmax = 3.05 N compared to those on other musical instruments (e.g. guitar. Participants applied the largest finger forces during the high expression level performance conditions (Fmean = 1.21 N.For the technical exercise task, timing and articulation information were extracted from the reed signal. Here, the timing precision of the fingers deteriorated the timing precision of the tongue for combined tongue-finger actions, especially for faster tempi. Although individual finger force profiles were overlapping, the group of professional players applied less finger force overall (Fmean = 0.54 N. Such sensor instruments provide useful insights into player

Sub-Angstrom oscillation amplitude non-contact atomic force microscopy for lateral force gradient measurement

International Nuclear Information System (INIS)

Atabak, Mehrdad; Unverdi, Ozhan; Ozer, H. Ozguer; Oral, Ahmet

2009-01-01

We report the first results from novel sub-Angstrom oscillation amplitude non-contact atomic force microscopy developed for lateral force gradient measurements. Quantitative lateral force gradients between a tungsten tip and Si(1 1 1)-(7 x 7) surface can be measured using this microscope. Simultaneous lateral force gradient and scanning tunnelling microscope images of single and multi atomic steps are obtained. In our measurement, tunnel current is used as feedback. The lateral stiffness contrast has been observed to be 2.5 N/m at single atomic step, in contrast to 13 N/m at multi atomic step on Si(1 1 1) surface. We also carried out a series of lateral stiffness-distance spectroscopy. We observed lateral stiffness-distance curves exhibit sharp increase in the stiffness as the sample is approached towards the surface. We usually observed positive stiffness and sometimes going into slightly negative region.

Effect of contact stiffness on wedge calibration of lateral force in atomic force microscopy

International Nuclear Information System (INIS)

Wang Fei; Zhao Xuezeng

2007-01-01

Quantitative friction measurement of nanomaterials in atomic force microscope requires accurate calibration method for lateral force. The effect of contact stiffness on lateral force calibration of atomic force microscope is discussed in detail and an improved calibration method is presented. The calibration factor derived from the original method increased with the applied normal load, which indicates that separate calibration should be required for every given applied normal load to keep the accuracy of friction measurement. We improve the original method by introducing the contact factor, which is derived from the contact stiffness between the tip and the sample, to the calculation of calibration factors. The improved method makes the calculation of calibration factors under different applied normal loads possible without repeating the calibration procedure. Comparative experiments on a silicon wafer have been done by both the two methods to validate the method in this article

Magnus force and Aharonov-Bohm effect in superfluids

International Nuclear Information System (INIS)

Sonin, E.

2002-01-01

This chapter addresses the problem of the transverse force (Magnus force) on a vortex in a Galilean invariant quantum Bose liquid. Interaction of quasi-particles (phonons) with a vortex produces an additional transverse force (Iordanskii force). The Iordanskii force is related to the acoustic Aharonov-Bohm effect. The connection between the effective Magnus force and the Berry phase is also discussed. (orig.)

Modernization of African Armed Forces

DEFF Research Database (Denmark)

Mandrup, Thomas

2015-01-01

Concept paper framing the debate at the Dakar Forum Workshop on Modernization of Armed forces in Africa.......Concept paper framing the debate at the Dakar Forum Workshop on Modernization of Armed forces in Africa....

Particles and forces

International Nuclear Information System (INIS)

Peierls, R.

1981-01-01

The particles and forces of matter, found in the Universe, are discussed with especial reference to some of the laws which govern behaviour in the sub-atomic world and which determine the way forces work to give matter its various characteristics. The recent history of the search for elementary constituents of matter in this century is outlined and the replacement of the simplicity anticipated in the 1930s by the proliferation of particle states uncovered in the 1950s and 1960s which led to the quark model is examined. (U.K.)

Three-body forces and the trinucleons

International Nuclear Information System (INIS)

Friar, J.L.

1987-01-01

Three-body forces are discussed in the context of classical, atomic, solid-state and nuclear physics. The basic theoretical ingredients used in the construction of such forces are reviewed. Experimental evidence for three-nucleon forces and an overview of the three-nucleon bound states are presented. 53 refs., 9 figs

The Common Forces: Conservative or Nonconservative?

Science.gov (United States)

Keeports, David

2006-01-01

Of the forces commonly encountered when solving problems in Newtonian mechanics, introductory texts usually limit illustrations of the definitions of conservative and nonconservative forces to gravity, spring forces, kinetic friction and fluid resistance. However, at the expense of very little class time, the question of whether each of the common…

Molecular Force Spectroscopy on Cells

Science.gov (United States)

Liu, Baoyu; Chen, Wei; Zhu, Cheng

2015-04-01

Molecular force spectroscopy has become a powerful tool to study how mechanics regulates biology, especially the mechanical regulation of molecular interactions and its impact on cellular functions. This force-driven methodology has uncovered a wealth of new information of the physical chemistry of molecular bonds for various biological systems. The new concepts, qualitative and quantitative measures describing bond behavior under force, and structural bases underlying these phenomena have substantially advanced our fundamental understanding of the inner workings of biological systems from the nanoscale (molecule) to the microscale (cell), elucidated basic molecular mechanisms of a wide range of important biological processes, and provided opportunities for engineering applications. Here, we review major force spectroscopic assays, conceptual developments of mechanically regulated kinetics of molecular interactions, and their biological relevance. We also present current challenges and highlight future directions.

Micropipette force probe to quantify single-cell force generation: application to T-cell activation.

Science.gov (United States)

Sawicka, Anna; Babataheri, Avin; Dogniaux, Stéphanie; Barakat, Abdul I; Gonzalez-Rodriguez, David; Hivroz, Claire; Husson, Julien

2017-11-07

In response to engagement of surface molecules, cells generate active forces that regulate many cellular processes. Developing tools that permit gathering mechanical and morphological information on these forces is of the utmost importance. Here we describe a new technique, the micropipette force probe, that uses a micropipette as a flexible cantilever that can aspirate at its tip a bead that is coated with molecules of interest and is brought in contact with the cell. This technique simultaneously allows tracking the resulting changes in cell morphology and mechanics as well as measuring the forces generated by the cell. To illustrate the power of this technique, we applied it to the study of human primary T lymphocytes (T-cells). It allowed the fine monitoring of pushing and pulling forces generated by T-cells in response to various activating antibodies and bending stiffness of the micropipette. We further dissected the sequence of mechanical and morphological events occurring during T-cell activation to model force generation and to reveal heterogeneity in the cell population studied. We also report the first measurement of the changes in Young's modulus of T-cells during their activation, showing that T-cells stiffen within the first minutes of the activation process. © 2017 Sawicka et al. This article is distributed by The American Society for Cell Biology under license from the author(s). Two months after publication it is available to the public under an Attribution–Noncommercial–Share Alike 3.0 Unported Creative Commons License (http://creativecommons.org/licenses/by-nc-sa/3.0).

Nuclear Forces from Effective Field Theory

International Nuclear Information System (INIS)

Krebs, H.

2011-01-01

Chiral effective field theory allows for a systematic and model-independent derivation of the forces between nucleons in harmony with the symmetries of the quantum chromodynamics. After a brief review on the current status in the development of the chiral nuclear forces I will focus on the role of the Δ-resonance contributions in the nuclear dynamics.We find improvement in the convergence of the chiral expansion of the nuclear forces if we explicitly take into account the Δ-resonance degrees of freedom. The overall results for two-nucleon forces with and without explicit Δ-resonance degrees of freedom are remarkably similar. We discussed the long- and shorter-range N 3 LO contributions to chiral three-nucleon forces. No additional free parameters appear at this order. There are five different topology classes which contribute to the forces. Three of them describe long-range contributions which constitute the first systematic corrections to the leading 2π exchange that appear at N 2 LO. Another two contributions are of a shorter range and include, additionally to an exchange of pions, also one short-range contact interaction and all corresponding 1/m corrections. The requirement of renormalizability leads to unique expressions for N 3 LO contributions to the three-nucleon force (except for 1/m-corrections). We presented the complete N 2 LO analysis of the nuclear forces with explicit Δ-isobar degrees of freedom. Although the overall results in the isospin-conserving case are very similar in the Δ-less and Δ-full theories, we found a much better convergence in all peripheral partial waves once Δ-resonance is explicitly taken into account. The leading CSB contributions to nuclear forces are proportional to nucleon- and Δ-mass splittings. There appear strong cancellations between the two contributions which at leading order yield weaker V III potentials. This effect is, however, entirely compensated at subleading order such that the results in the theories

ON ESTIMATING FORCE-FREENESS BASED ON OBSERVED MAGNETOGRAMS

International Nuclear Information System (INIS)

Zhang, X. M.; Zhang, M.; Su, J. T.

2017-01-01

It is a common practice in the solar physics community to test whether or not measured photospheric or chromospheric vector magnetograms are force-free, using the Maxwell stress as a measure. Some previous studies have suggested that magnetic fields of active regions in the solar chromosphere are close to being force-free whereas there is no consistency among previous studies on whether magnetic fields of active regions in the solar photosphere are force-free or not. Here we use three kinds of representative magnetic fields (analytical force-free solutions, modeled solar-like force-free fields, and observed non-force-free fields) to discuss how measurement issues such as limited field of view (FOV), instrument sensitivity, and measurement error could affect the estimation of force-freeness based on observed magnetograms. Unlike previous studies that focus on discussing the effect of limited FOV or instrument sensitivity, our calculation shows that just measurement error alone can significantly influence the results of estimates of force-freeness, due to the fact that measurement errors in horizontal magnetic fields are usually ten times larger than those in vertical fields. This property of measurement errors, interacting with the particular form of a formula for estimating force-freeness, would result in wrong judgments of the force-freeness: a truly force-free field may be mistakenly estimated as being non-force-free and a truly non-force-free field may be estimated as being force-free. Our analysis calls for caution when interpreting estimates of force-freeness based on measured magnetograms, and also suggests that the true photospheric magnetic field may be further away from being force-free than it currently appears to be.

Axial force measurement for esophageal function testing

DEFF Research Database (Denmark)

Gravesen, Flemming Holbæk; Funch-Jensen, Peter; Gregersen, Hans

2009-01-01

force (force in radial direction) whereas the bolus moves along the length of esophagus in a distal direction. Force measurements in the longitudinal (axial) direction provide a more direct measure of esophageal transport function. The technique used to record axial force has developed from external...... force transducers over in-vivo strain gauges of various sizes to electrical impedance based measurements. The amplitude and duration of the axial force has been shown to be as reliable as manometry. Normal, as well as abnormal, manometric recordings occur with normal bolus transit, which have been...... documented using imaging modalities such as radiography and scintigraphy. This inconsistency using manometry has also been documented by axial force recordings. This underlines the lack of information when diagnostics are based on manometry alone. Increasing the volume of a bag mounted on a probe...

Taking nanomedicine teaching into practice with atomic force microscopy and force spectroscopy.

Science.gov (United States)

Carvalho, Filomena A; Freitas, Teresa; Santos, Nuno C

2015-12-01

Atomic force microscopy (AFM) is a useful and powerful tool to study molecular interactions applied to nanomedicine. The aim of the present study was to implement a hands-on atomic AFM course for graduated biosciences and medical students. The course comprises two distinct practical sessions, where students get in touch with the use of an atomic force microscope by performing AFM scanning images of human blood cells and force spectroscopy measurements of the fibrinogen-platelet interaction. Since the beginning of this course, in 2008, the overall rating by the students was 4.7 (out of 5), meaning a good to excellent evaluation. Students were very enthusiastic and produced high-quality AFM images and force spectroscopy data. The implementation of the hands-on AFM course was a success, giving to the students the opportunity of contact with a technique that has a wide variety of applications on the nanomedicine field. In the near future, nanomedicine will have remarkable implications in medicine regarding the definition, diagnosis, and treatment of different diseases. AFM enables students to observe single molecule interactions, enabling the understanding of molecular mechanisms of different physiological and pathological processes at the nanoscale level. Therefore, the introduction of nanomedicine courses in bioscience and medical school curricula is essential. Copyright © 2015 The American Physiological Society.

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...

The five competitive forces that shape strategy.

Science.gov (United States)

Porter, Michael E

2008-01-01

In 1979, a young associate professor at Harvard Business School published his first article for HBR, "How Competitive Forces Shape Strategy." In the years that followed, Michael Porter's explication of the five forces that determine the long-run profitability of any industry has shaped a generation of academic research and business practice. In this article, Porter undertakes a thorough reaffirmation and extension of his classic work of strategy formulation, which includes substantial new sections showing how to put the five forces analysis into practice. The five forces govern the profit structure of an industry by determining how the economic value it creates is apportioned. That value may be drained away through the rivalry among existing competitors, of course, but it can also be bargained away through the power of suppliers or the power of customers or be constrained by the threat of new entrants or the threat of substitutes. Strategy can be viewed as building defenses against the competitive forces or as finding a position in an industry where the forces are weaker. Changes in the strength of the forces signal changes in the competitive landscape critical to ongoing strategy formulation. In exploring the implications of the five forces framework, Porter explains why a fast-growing industry is not always a profitable one, how eliminating today's competitors through mergers and acquisitions can reduce an industry's profit potential, how government policies play a role by changing the relative strength of the forces, and how to use the forces to understand complements. He then shows how a company can influence the key forces in its industry to create a more favorable structure for itself or to expand the pie altogether. The five forces reveal why industry profitability is what it is. Only by understanding them can a company incorporate industry conditions into strategy.

Two sensory channels mediate perception of fingertip force.

Science.gov (United States)

Brothers, Trevor; Hollins, Mark

2014-01-01

In two experiments we examined the ability of humans to exert forces accurately with the fingertips, and to perceive those forces. In experiment 1 participants used visual feedback to apply a range of fingertip forces with the distal pad of the thumb. Participants made magnitude discriminations regarding these forces, and their just noticeable differences were calculated at a series of standards by means of a two-interval, forced-choice tracking paradigm. As the standard increased, participants demonstrated a relative improvement in force discrimination; and the presence of a possible inflection point, at approximately 400 g, suggested that two sensory channels may contribute to performance. If this is the case, the operative channel at low forces is almost certainly the slowly adapting type I (SA-I) channel, while another mechanoreceptor class, the SA-II nail unit, is a plausible mediator of the more accurate performance seen at high force levels. To test this two-channel hypothesis in experiment 2, we hydrated participants' thumbnails in order to reduce nail rigidity and thus prevent stimulation of underlying SA-II mechanoreceptors. This technique was found to reduce sensory accuracy in a force-matching task at high forces (1000 g) while leaving low force matching (100 g) unimpaired. Taken together, these results suggest that two sensory channels mediate the perception of fingertip forces in humans: one channel predominating at low forces (below approximately 400 g) and another responsible for perceiving high forces which is likely mediated by the SA-II nail unit.

Origin of Knudsen forces on heated microbeams

KAUST Repository

Zhu, Taishan

2010-09-09

The presented work probes the fundamentals of Knudsen forces. Using the direct simulation Monte Carlo (DSMC) method, the flows induced by temperature inhomogeneity within a representative configuration and the Knudsen force acting on a heated microbeam are captured as functions of Knudsen number in the entire flow regime. Both flow strength and Knudsen force peak in the transition regime and negative Knudsen force absent in experimental data is observed. The mechanisms of the thermally induced flows and Knudsen forces are studied. It has been found that thermal edge flow is the main driven source for the formation of the Knudsen force on microbeams and domain configuration plays an important role in the process.

Polarization effects in molecular mechanical force fields

Energy Technology Data Exchange (ETDEWEB)

Cieplak, Piotr [Burnham Institute for Medical Research, 10901 North Torrey Pines Road, La Jolla, CA 92120 (United States); Dupradeau, Francois-Yves [UMR CNRS 6219-Faculte de Pharmacie, Universite de Picardie Jules Verne, 1 rue des Louvels, F-80037 Amiens (France); Duan, Yong [Genome Center and Department of Applied Science, University of California, Davis, One Shields Avenue, Davis, CA 95616 (United States); Wang Junmei, E-mail: pcieplak@burnham.or [Department of Pharmacology, University of Texas Southwestern Medical Center, 6001 Forest Park Boulevard, ND9.136, Dallas, TX 75390-9050 (United States)

2009-08-19

The focus here is on incorporating electronic polarization into classical molecular mechanical force fields used for macromolecular simulations. First, we briefly examine currently used molecular mechanical force fields and the current status of intermolecular forces as viewed by quantum mechanical approaches. Next, we demonstrate how some components of quantum mechanical energy are effectively incorporated into classical molecular mechanical force fields. Finally, we assess the modeling methods of one such energy component-polarization energy-and present an overview of polarizable force fields and their current applications. Incorporating polarization effects into current force fields paves the way to developing potentially more accurate, though more complex, parameterizations that can be used for more realistic molecular simulations. (topical review)

Forced sterilization of women as discrimination.

Science.gov (United States)

Patel, Priti

2017-01-01

There has been a long history of subjecting marginalized women to forced and coerced sterilization. In recent years, the practice has been documented in countries in North and South America, Europe, Asia, and Africa. It has targeted women who are ethnic and racial minorities, women with disabilities, women living with HIV, and poor women. A handful of courts have issued decisions on the recent forced sterilization of marginalized women finding that such actions violate the women's rights. However, they have all failed to address the women's claims of discrimination. The failure to acknowledge that forced sterilization is at its core a violation of the prohibition of discrimination undermines efforts to eradicate the practice. It further fails to recognize that coerced and forced sterilization fundamentally seeks to deny women deemed as "unworthy" the ability to procreate. Four key principles outlined in the human rights in patient care framework highlight the importance of a finding that the prohibition of discrimination was violated in cases of forced sterilization: the need to highlight the vulnerability of marginalized populations to discrimination in health care settings; the importance of the rights of medical providers; the role of the state in addressing systemic human rights violations in health care settings; and the application of human rights to patient care. Based on these principles, it is clear that finding a violation of the prohibition of discrimination in forced sterilization cases is critical in addressing the systemic nature of the practice, acknowledging the marginalization of specific groups and effectively ending forced sterilization through addressing the underlying purpose of the practice. If litigators, non-governmental organizations and judicial officers are mindful of these principles when dealing with cases of forced sterilization, it is likely that they will be better able to eradicate forced sterilization.

The Optical Bichromatic Force in Molecular Systems

Science.gov (United States)

Aldridge, Leland; Galica, Scott; Eyler, E. E.

2015-05-01

The optical bichromatic force has been demonstrated to be useful for slowing atomic beams much more rapidly than radiative forces. Through numerical simulations, we examine several aspects of applying the bichromatic force to molecular beams. One is the unavoidable existence of out-of-system radiative decay, requiring one or more repumping beams. We find that the average deceleration varies strongly with the repumping intensity, but when using optimal parameters, the force approaches the limiting value allowed by population statistics. Another consideration is the effect of fine and hyperfine structure. We examine a simplified multlevel model based on the B X transition in calcium monofluoride. To circumvent optical pumping into coherent dark states, we include two possible schemes: (1) a skewed dc magnetic field, and (2) rapid optical polarization switching. Our results indicate that the bichromatic force remains a viable option for creating large forces in molecular beams, with a reduction in the peak force by approximately an order of magnitude compared to a two-level atom, but little effect on the velocity range over which the force is effective. We also describe our progress towards experimental tests of the bichromatic force on a molecular beam of CaF. Supported by the National Science Foundation.

Laboratory experiments inform iceberg-calving forces

Science.gov (United States)

Cathles, L. M.; Burton, J. C.

2013-12-01

Globally detected glacial earthquakes are produced during cubic-kilometer scale calving events. The mechanism producing these earthquakes and the dependence of the seismic moment on iceberg size and glacial calving front geometry are not well established. We use a laboratory-scale model of the post-fracture calving process to measure aspects of the calving process not observable in nature. In our experiments, buoyant plastic blocks rest against against a force plate (glacial terminus) which measures both the total force and the torque exerted during the calving process. The blocks are gravitationally unstable, so that they will spontaneously capsize and rotate away from the terminus. We find that hydrodynamics are crucial when considering the coupling between the calving process and the solid earth. There is both a pushing contact force and a simultaneous pulling hydrodynamic force created by a reduced pressure along the terminus face. This suggests that a single couple force mechanism is a more appropriate mode for glacial earthquakes than the commonly used centroid single force model.

Gap Task Force

CERN Multimedia

Lissuaer, D

One of the more congested areas in the ATLAS detector is the GAP region (the area between the Barrel Calorimeter and the End Cap calorimeter) where Inner Detector services, LAr Services and some Tile services all must co-habitat in a very limited area. It has been clear for some time that the space in the GAP region is not sufficient to accommodate all that is needed. In the last few month additional problems of routing all the services to Z=0 have been encountered due to the very limited space between the Tile Calorimeter and the first layer of Muon chambers. The Technical Management Board (TMB) and the Executive Board (EB) decided in the middle of March to establish a Task Force to look at this problem and come up with a solution within well-specified guidelines. The task force consisted of experts from the ID, Muon, Liquid Argon and Tile systems in addition to experts from the Technical Coordination team and the Physics coordinator. The task force held many meetings and in general there were some very l...

Optimizing Armed Forces Capabilities for Hybrid Warfare – New Challenge for Slovak Armed Forces

Directory of Open Access Journals (Sweden)

Peter PINDJÁK

2015-09-01

Full Text Available The paper deals with the optimization of military capabilities of the Slovak Armed Forces for conducting operations in a hybrid conflict, which represents one of the possible scenarios of irregular warfare. Whereas in the regular warfare adversaries intend to eliminate the centers of gravity of each other, most often command and control structures, in irregular conflicts, the center of gravity shifts towards the will and cognitive perception of the target population. Hybrid warfare comprises a thoroughly planned combination of conventional military approaches and kinetic operations with subversive, irregular activities, including information and cyber operations. These efforts are often accompanied by intensified activities of intelligence services, special operation forces, and even mercenary and other paramilitary groups. The development of irregular warfare capabilities within the Slovak Armed Forces will require a progressive transformation process that may turn the armed forces into a modern and adaptable element of power, capable of deployment in national and international crisis management operations.

Control of force during rapid visuomotor force-matching tasks can be described by discrete time PID control algorithms.

Science.gov (United States)

Dideriksen, Jakob Lund; Feeney, Daniel F; Almuklass, Awad M; Enoka, Roger M

2017-08-01

Force trajectories during isometric force-matching tasks involving isometric contractions vary substantially across individuals. In this study, we investigated if this variability can be explained by discrete time proportional, integral, derivative (PID) control algorithms with varying model parameters. To this end, we analyzed the pinch force trajectories of 24 subjects performing two rapid force-matching tasks with visual feedback. Both tasks involved isometric contractions to a target force of 10% maximal voluntary contraction. One task involved a single action (pinch) and the other required a double action (concurrent pinch and wrist extension). 50,000 force trajectories were simulated with a computational neuromuscular model whose input was determined by a PID controller with different PID gains and frequencies at which the controller adjusted muscle commands. The goal was to find the best match between each experimental force trajectory and all simulated trajectories. It was possible to identify one realization of the PID controller that matched the experimental force produced during each task for most subjects (average index of similarity: 0.87 ± 0.12; 1 = perfect similarity). The similarities for both tasks were significantly greater than that would be expected by chance (single action: p = 0.01; double action: p = 0.04). Furthermore, the identified control frequencies in the simulated PID controller with the greatest similarities decreased as task difficulty increased (single action: 4.0 ± 1.8 Hz; double action: 3.1 ± 1.3 Hz). Overall, the results indicate that discrete time PID controllers are realistic models for the neural control of force in rapid force-matching tasks involving isometric contractions.

Investigation of index finger triggering force using a cadaver experiment: Effects of trigger grip span, contact location, and internal tendon force.

Science.gov (United States)

Chang, Joonho; Freivalds, Andris; Sharkey, Neil A; Kong, Yong-Ku; Mike Kim, H; Sung, Kiseok; Kim, Dae-Min; Jung, Kihyo

2017-11-01

A cadaver study was conducted to investigate the effects of triggering conditions (trigger grip span, contact location, and internal tendon force) on index finger triggering force and the force efficiency of involved tendons. Eight right human cadaveric hands were employed, and a motion simulator was built to secure and control the specimens. Index finger triggering forces were investigated as a function of different internal tendon forces (flexor digitorum profundus + flexor digitorum superficialis = 40, 70, and 100 N), trigger grip spans (40, 50, and 60 mm), and contact locations between the index finger and a trigger. Triggering forces significantly increased when internal tendon forces increased from 40 to 100 N. Also, trigger grip spans and contact locations had significant effects on triggering forces; maximum triggering forces were found at a 50 mm span and the most proximal contact location. The results revealed that only 10-30% of internal tendon forces were converted to their external triggering forces. Copyright © 2017 Elsevier Ltd. All rights reserved.

Biodegradable Piezoelectric Force Sensor.

Science.gov (United States)

Curry, Eli J; Ke, Kai; Chorsi, Meysam T; Wrobel, Kinga S; Miller, Albert N; Patel, Avi; Kim, Insoo; Feng, Jianlin; Yue, Lixia; Wu, Qian; Kuo, Chia-Ling; Lo, Kevin W-H; Laurencin, Cato T; Ilies, Horea; Purohit, Prashant K; Nguyen, Thanh D

2018-01-30

Measuring vital physiological pressures is important for monitoring health status, preventing the buildup of dangerous internal forces in impaired organs, and enabling novel approaches of using mechanical stimulation for tissue regeneration. Pressure sensors are often required to be implanted and directly integrated with native soft biological systems. Therefore, the devices should be flexible and at the same time biodegradable to avoid invasive removal surgery that can damage directly interfaced tissues. Despite recent achievements in degradable electronic devices, there is still a tremendous need to develop a force sensor which only relies on safe medical materials and requires no complex fabrication process to provide accurate information on important biophysiological forces. Here, we present a strategy for material processing, electromechanical analysis, device fabrication, and assessment of a piezoelectric Poly-l-lactide (PLLA) polymer to create a biodegradable, biocompatible piezoelectric force sensor, which only employs medical materials used commonly in Food and Drug Administration-approved implants, for the monitoring of biological forces. We show the sensor can precisely measure pressures in a wide range of 0-18 kPa and sustain a reliable performance for a period of 4 d in an aqueous environment. We also demonstrate this PLLA piezoelectric sensor can be implanted inside the abdominal cavity of a mouse to monitor the pressure of diaphragmatic contraction. This piezoelectric sensor offers an appealing alternative to present biodegradable electronic devices for the monitoring of intraorgan pressures. The sensor can be integrated with tissues and organs, forming self-sensing bionic systems to enable many exciting applications in regenerative medicine, drug delivery, and medical devices.

Consistent force fields for saccharides

DEFF Research Database (Denmark)

Rasmussen, Kjeld

1999-01-01

Consistent force fields for carbohydrates were hitherto developed by extensive optimization ofpotential energy function parameters on experimental data and on ab initio results. A wide range of experimental data is used: internal structures obtained from gas phase electron diffraction and from x......-anomeric effects are accounted for without addition of specific terms. The work is done in the framework of the Consistent Force Field which originatedin Israel and was further developed in Denmark. The actual methods and strategies employed havebeen described previously. Extensive testing of the force field...

New force in nature?

International Nuclear Information System (INIS)

Fischbach, E.; Sudarsky, D.; Szafer, A.; Talmadge, C.; Aronson, S.H.

1986-01-01

We review recent experimental and theoretical work dealing with the proposed fifth force. Further analysis of the original Eoetvoes experiments has uncovered no challenges to our original assertion that these data evidence a correlation characteristic of the presence of a new coupling to baryon number or hypercharge. Various models suggest that the proposed fifth force could be accomodated naturally into the existing theoretical framework

Deriving force field parameters for coordination complexes

DEFF Research Database (Denmark)

Norrby, Per-Ola; Brandt, Peter

2001-01-01

The process of deriving molecular mechanics force fields for coordination complexes is outlined. Force field basics are introduced with an emphasis on special requirements for metal complexes. The review is then focused on how to set up the initial model, define the target, refine the parameters......, and validate the final force field, Alternatives to force field derivation are discussed briefly....

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

Low frequency temperature forcing of chemical oscillations.

Science.gov (United States)

Novak, Jan; Thompson, Barnaby W; Wilson, Mark C T; Taylor, Annette F; Britton, Melanie M

2011-07-14

The low frequency forcing of chemical oscillations by temperature is investigated experimentally in the Belousov-Zhabotinsky (BZ) reaction and in simulations of the Oregonator model with Arrhenius temperature dependence of the rate constants. Forcing with temperature leads to modulation of the chemical frequency. The number of response cycles per forcing cycle is given by the ratio of the natural frequency to the forcing frequency and phase locking is only observed in simulations when this ratio is a whole number and the forcing amplitude is small. The global temperature forcing of flow-distributed oscillations in a tubular reactor is also investigated and synchronisation is observed in the variation of band position with the external signal, reflecting the periodic modulation of chemical oscillations by temperature.

Astrophysical evidence for weak new forces

International Nuclear Information System (INIS)

Burgess, C.; Cloutier, J.

1988-01-01

Recent observations of the orbital precession rate for eclipsing binary star systems appear to be in disagreement with the predictions of general relativity. We here analyse whether these discrepancies can be interpreted as being due to the existence of a new, long range, very weak force. We find that, with a conservative estimate of the astrophysical errors involved, the binary-star data by itself is consistent with what would be expected of a new force. The coupling and range required to fit the data can be consistent with the present limits on the existence of new forces. The strongest constraints come from recent terrestrial searches for a ''fifth force''. This analysis underlines the fact that these binary star systems are sensitive to forces whose coupling strength can be as low as 10 -5 that of gravity

Contractors on the Battlefield Force Multipliers or Force Dividers?

National Research Council Canada - National Science Library

Nelson, Kim

2000-01-01

.... An increased reliance on contractor support has helped ease the burden on a heavily reduced force structure, but has left military commanders vulnerable to declaring a non-mission capable status during times of crisis...

Theoretical investigation of the distance dependence of capillary and van der Waals forces in scanning force microscopy

International Nuclear Information System (INIS)

Stifter, Thomas; Marti, Othmar; Bhushan, Bharat

2000-01-01

The capillary and van der Waals forces between a tip and a plane in a scanning force microscope (SFM) are calculated. The forces are calculated for a fixed distance of tip and sample, as well as during retracting of the tip from the sample surface. The exact geometric shape of the meniscus is considered, with the boundary condition of fixed liquid volume during retraction. The starting volume is given by the operating and environmental conditions (surface tension, humidity, and tip geometry) at the point of lowest distance between tip and surface. The influence of the different parameters, namely, humidity, tip geometry, tip-sample starting distance, surface tension, and contact angles are studied. For each force curve also the geometric shape of the meniscus is calculated. The capillary forces are compared with van der Waals forces to understand their relative importance in various operating conditions. In addition to application in SFM, this analysis is useful in the design of surface roughness in microdevices for low adhesion in operating environments

Tip-Loading, Force-Dependent Tunneling Behavior in Alkanethiol Self-Assembled Monolayers Studied Through Conducting Atomic Force Microscopy

International Nuclear Information System (INIS)

Lee, Min Hyung; Song, Hyun Wook

2013-01-01

The force-dependent tunneling transport in metal/alkanethiol/metal junctions was examined using CAFM. Tunneling current and current density through alkanethiol SAMs increased with increasing tip-loading force in CAFM, which suggests that a potential change in geometry of the molecules under the tip loads influences the transport properties of alkanethiol SAMs. Enhanced intermolecular tunneling transport in the tilted molecular configuration under tip-loading effect is likely responsible for such an increase in tunneling current density. We also demonstrated that through-bond tunneling is a more efficient pathway in alkanethiol SAMs than are intermolecular chain-to-chain pathways, by demonstrating a dependence of current density on the associated tunneling distances. We report a tip-loading, force-dependent tunneling behavior in alkanethiol SAMs using CAFM. A variable tip-loading force applies to alkanethiol SAMs with a standard AFM feedback, and current(I)-voltage(V) characteristics are simultaneously measured while varying the loading forces. In particular, we observe how a tip-loading force in CAFM influences the transport properties of alkanethiol SAMs

Conceptual Design of an Enlisted Force Management System for the Air Force.

Science.gov (United States)

1983-08-01

system will be ected toward qrade restructurisq, personne planniuq, and personnel proqrammiaq. Accossion Por NT1 - rPAS:T LBy- Distribhition/ Availability...used as loss predictors are stable enough that one can assign mean values to a cell in the inventory (for medium-term prediction), and which...characteristics require expansion of the number of cells ? We expect that the first- term force will be divided into more cells than the career force. 5.5. DATA TO

Detecting chameleons through Casimir force measurements

International Nuclear Information System (INIS)

Brax, Philippe; Bruck, Carsten van de; Davis, Anne-Christine; Shaw, Douglas; Mota, David F.

2007-01-01

The best laboratory constraints on strongly coupled chameleon fields come not from tests of gravity per se but from precision measurements of the Casimir force. The chameleonic force between two nearby bodies is more akin to a Casimir-like force than a gravitational one: The chameleon force behaves as an inverse power of the distance of separation between the surfaces of two bodies, just as the Casimir force does. Additionally, experimental tests of gravity often employ a thin metallic sheet to shield electrostatic forces; however, this sheet masks any detectable signal due to the presence of a strongly coupled chameleon field. As a result of this shielding, experiments that are designed to specifically test the behavior of gravity are often unable to place any constraint on chameleon fields with a strong coupling to matter. Casimir force measurements do not employ a physical electrostatic shield and as such are able to put tighter constraints on the properties of chameleons fields with a strong matter coupling than tests of gravity. Motivated by this, we perform a full investigation on the possibility of testing chameleon models with both present and future Casimir experiments. We find that present-day measurements are not able to detect the chameleon. However, future experiments have a strong possibility of detecting or rule out a whole class of chameleon models

Tropospheric radiative forcing of CH4

International Nuclear Information System (INIS)

Grossman, A.S.; Grant, K.E.

1994-04-01

We have evaluated the tropospheric radiative forcing of CH 4 in the 0-3000 cm -1 wavenumber range and compared this with prior published calculations. The atmospheric test cases involved perturbed methane scenarios in both a McClatchey mid latitude, summer, clear sky approximation, model atmosphere, as well as a globally and seasonally averaged model atmosphere containing a representative cloud distribution. The scenarios involved pure CH 4 radiative forcing and CH 4 plus a mixture of H 2 O, CO 2 , O 3 , and N 2 O. The IR radiative forcing was calculated using a correlated k-distribution transmission model. The major purposes of this paper are to first, use the correlated k-distribution model to calculate the tropospheric radiative forcing for CH 4 , as the only radiatively active gas, and in a mixture with H 2 O, CO 2 , O 3 , and N 2 O, for a McClatchey mid-latitude summer, clear-sky model atmosphere, and to compare the results to those obtained in the studies mentioned above. Second, we will calculate the tropospheric methane forcing in a globally and annually averaged atmosphere with and without a representative cloud distribution in order to validate the conjecture given in IPCC (1990) that the inclusion of clouds in the forcing calculations results in forcing values which are approximately 20 percent less than those obtained using clear sky approximations

The relationship between oral tori and bite force.

Science.gov (United States)

Jeong, Chan-Woo; Kim, Kyung-Ho; Jang, Hyo-Won; Kim, Hye-Sun; Huh, Jong-Ki

2018-01-12

Objective The relationship between bite force and torus palatinus or mandibularis remains to be explained. The major aim of this study was to determine the correlation between bite force and oral tori. Methods The bite force of 345 patients was measured with a bite force recorder; impressions of the shape and size of the oral tori were taken on plaster models prior to orthodontic treatments. Subsequently, the relationship between oral tori and bite force was analyzed. Results The size, shape, and incidence of torus palatinus was not significantly correlated with bite force. However, the size of torus mandibularis increased significantly in proportion to the bite force (p = 0.020). The occurrence of different types of oral tori was not correlated with the bite force. Discussion The size of torus mandibularis provides information about bite force and can thus be used to clinically assess occlusal stress.

Repulsive Casimir-Polder forces from cosmic strings

International Nuclear Information System (INIS)

Saharian, A.A.; Kotanjyan, A.S.

2011-01-01

We investigate the Casimir-Polder force acting on a polarizable microparticle in the geometry of a straight cosmic string. In order to develop this analysis we evaluate the electromagnetic field Green tensor on the imaginary frequency axis. The expression for the Casimir-Polder force is derived in the general case of anisotropic polarizability. In dependence on the eigenvalues for the polarizability tensor and of the orientation of its principal axes, the Casimir-Polder force can be either repulsive or attractive. Moreover, there are situations where the force changes the sign with separation. We show that for an isotropic polarizability tensor the force is always repulsive. At large separations between the microparticle and the string, the force varies inversely with the fifth power of the distance. In the non-retarded regime, corresponding to separations smaller than the relevant transition wavelengths, the force decays with the inverse fourth power of the distance. In the case of anisotropic polarizability, the dependence of the Casimir-Polder potential on the orientation of the polarizability tensor principal axes also leads to a moment of force acting on the particle. (orig.)

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

The application of force-sensing resistor sensors for measuring forces developed by the human hand.

Science.gov (United States)

Nikonovas, A; Harrison, A J L; Hoult, S; Sammut, D

2004-01-01

Most attempts to measure forces developed by the human hand have been implemented by placing force sensors on the object of interaction. Other researchers have placed sensors just on the subject's fingertips. In this paper, a system is described that measures forces over the entire hand using thin-film sensors and associated electronics. This system was developed by the authors and is able to obtain force readings from up to 60 thin-film sensors at rates of up to 400 samples/s per sensor. The sensors can be placed anywhere on the palm and/or fingers of the hand. The sensor readings, together with a video stream containing information about hand posture, are logged into a portable computer using a multiplexer, analogue-to-digital converter and software developed for the purpose. The system has been successfully used to measure forces involved in a range of everyday tasks such as driving a vehicle, lifting saucepans and hitting a golf ball. In the latter case, results are compared with those from an instrumented golf club. Future applications include the assessment of hand strength following disease, trauma or surgery, and to enable quantitative ergonomic investigations.

Comparison of frictional forces on graphene and graphite

International Nuclear Information System (INIS)

Lee, Hyunsoo; Lee, Naesung; Seo, Yongho; Eom, Jonghwa; Lee, SangWook

2009-01-01

We report on the frictional force between an SiN tip and graphene/graphite surfaces using lateral force microscopy. The cantilever we have used was made of an SiN membrane and has a low stiffness of 0.006 N m -1 . We prepared graphene flakes on a Si wafer covered with silicon oxides. The frictional force on graphene was smaller than that on the Si oxide and larger than that on graphite (multilayer of graphene). Force spectroscopy was also employed to study the van der Waals force between the graphene and the tip. Judging that the van der Waals force was also in graphite-graphene-silicon oxide order, the friction is suspected to be related to the van der Waals interactions. As the normal force acting on the surface was much weaker than the attractive force, such as the van der Waals force, the friction was independent of the normal force strength. The velocity dependency of the friction showed a logarithmic behavior which was attributed to the thermally activated stick-slip effect.

Measurement of dynamic bite force during mastication.

Science.gov (United States)

Shimada, A; Yamabe, Y; Torisu, T; Baad-Hansen, L; Murata, H; Svensson, P

2012-05-01

Efficient mastication of different types and size of food depends on fast integration of sensory information from mechanoreceptors and central control mechanisms of jaw movements and applied bite force. The neural basis underlying mastication has been studied for decades but little progress in understanding the dynamics of bite force has been made mainly due to technical limitations of bite force recorders. The aims of this study were to develop a new intraoral bite force recorder which would allow the study of natural mastication without an increase in the occlusal vertical dimension and subsequently to analyze the relation between electromyographic (EMG) activity of jaw-closing muscles, jaw movements and bite force during mastication of five different types of food. Customized force recorders based on strain gauge sensors were fitted to the upper and lower molar teeth on the preferred chewing side in fourteen healthy and dentate subjects (21-39 years), and recordings were carried out during voluntary mastication of five different kinds of food. Intraoral force recordings were successively obtained from all subjects. anova showed that impulse of bite force as well as integrated EMG was significantly influenced by food (Pmastication with direct implications for oral rehabilitation. We also propose that the control of bite force during mastication is achieved by anticipatory adjustment and encoding of bolus characteristics. © 2012 Blackwell Publishing Ltd.

Nanoparticle movement: Plasmonic forces and physical constraints

International Nuclear Information System (INIS)

Batson, P.E.; Reyes-Coronado, A.; Barrera, R.G.; Rivacoba, A.; Echenique, P.M.; Aizpurua, J.

2012-01-01

Nanoparticle structures observed in aberration-corrected electron microscopes exhibit many types of behavior, some of which are dominated by intrinsic conditions, unrelated to the microscope environment. Some behaviors are clearly driven by the electron beam, however, and the question arises as to whether these are similar to intrinsic mechanisms, useful for understanding nanoscale behavior, or whether they should be regarded as unwanted modification of as-built specimens. We have studied a particular kind of beam–specimen interaction – plasmon dielectric forces caused by the electric fields imposed by a passing swift electron – identifying four types of forced motion, including both attractive and repulsive forces on single nanoparticles, and coalescent and non-coalescent forces in groups of two or more nanoparticles. We suggest that these forces might be useful for deliberate electron beam guided movement of nanoparticles. -- Highlights: ► We investigate the interaction of metal nanoparticles with a high energy electron beam. ► We find forces ranging from 0.1 to 50 pN forces between the metal particles and the beam. ► At moderate distances, dielectric forces are usually small and attractive. ► At sub-Nm distances the forces become repulsive, pushing nanoparticles away from the electron beam. ► While the repulsive behavior is predicted by electromagnetic theory, the detailed origin of the behavior is not yet understood.

Sparse regularization for force identification using dictionaries

Science.gov (United States)

Qiao, Baijie; Zhang, Xingwu; Wang, Chenxi; Zhang, Hang; Chen, Xuefeng

2016-04-01

The classical function expansion method based on minimizing l2-norm of the response residual employs various basis functions to represent the unknown force. Its difficulty lies in determining the optimum number of basis functions. Considering the sparsity of force in the time domain or in other basis space, we develop a general sparse regularization method based on minimizing l1-norm of the coefficient vector of basis functions. The number of basis functions is adaptively determined by minimizing the number of nonzero components in the coefficient vector during the sparse regularization process. First, according to the profile of the unknown force, the dictionary composed of basis functions is determined. Second, a sparsity convex optimization model for force identification is constructed. Third, given the transfer function and the operational response, Sparse reconstruction by separable approximation (SpaRSA) is developed to solve the sparse regularization problem of force identification. Finally, experiments including identification of impact and harmonic forces are conducted on a cantilever thin plate structure to illustrate the effectiveness and applicability of SpaRSA. Besides the Dirac dictionary, other three sparse dictionaries including Db6 wavelets, Sym4 wavelets and cubic B-spline functions can also accurately identify both the single and double impact forces from highly noisy responses in a sparse representation frame. The discrete cosine functions can also successfully reconstruct the harmonic forces including the sinusoidal, square and triangular forces. Conversely, the traditional Tikhonov regularization method with the L-curve criterion fails to identify both the impact and harmonic forces in these cases.

Experimental investigation of turbine blade-tip excitation forces

Science.gov (United States)

Martinez-Sanchez, Manuel; Jaroux, Belgacem; Song, Seung Jin; Yoo, Soom-Yung; Palczynski, Taras

1994-01-01

Results of a program to investigate the magnitude and parametric variations of rotordynamic forces which arise in high power turbines due to blade-tip leakage effects are presented. Five different unshrouded turbine configurations and one configuration shrouded with a labyrinth seal were tested with static offsets of the turbine shaft. The forces along and perpendicular to the offset were measured directly with a rotating dynometer. Exploration of casing pressure and flow velocity distributions was used to investigate the force-generating mechanisms. For unshrouded turbines, the cross-forces originate mainly from the classical Alford mechanisms while the direct forces arise mainly from a slightly skewed pressure pattern. The Alford coefficient for cross-force was found to vary between 2.4 and 4.0, while the similar direct force coefficient varied from 1.5 to 3.5. The cross-forces are found to increase substantially when the gap is reduced from 3.0 to 1.9% of blade height, probably due to viscous blade-tip effects. The forces also increase when the hub gap between stator and rotor decreases. The force coefficient decreased with operating flow coefficient. In the case of the shrouded turbine, most of the forces arise from nonuniform seal pressures. This includes about 80% for the transverse forces. The rest appears to come from uneven work extraction. Their level is about 50% higher in the shrouded case.

Capillary forces in tapping mode atomic force microscopy

NARCIS (Netherlands)

Zitzler, L.; Herminghaus, S.; Mugele, Friedrich Gunther

2002-01-01

We investigated the influence of the relative humidity on amplitude and phase of the cantilever oscillation while operating an atomic force microscope (AFM) in the tapping mode. If the free oscillation amplitude A0 exceeds a certain critical amplitude Ac, the amplitude- and phase-distance curves

The implications of force reflection for teleoperation in space

International Nuclear Information System (INIS)

Draper, J.V.; Herndon, J.N.; Moore, W.E.

1987-01-01

This paper reviews previous research on teleoperator force feedback and reports results of a testing program which assessed the impact of force reflection on teleoperator task performance. Force reflection is a type of force feedback in which the forces acting on the remote portion of the teleoperator are displayed to the operator by back-driving the master controller. The testing program compared three force reflection levels: 4 to 1 (four units of force on the slave produce one unit of force at the master controller), 1 to 1, and infinity to 1 (no force reflection). Time required to complete tasks, rate of occurrence of errors, the maximum force applied to tasks components, and variability in forces applied to components during completion of representative remote handling tasks were used as dependent variables. Operators exhibited lower error rates, lower peak forces, and more consistent application of forces using force reflection than they did without it. These data support the hypothesis that force reflection provides useful information for teleoperator users. The earlier literature and the results of the experiment are discussed in terms of their implications for space-based teleoperator systems. The discussion describes the impact of force reflection on task completion performance and task strategies, as suggested by the literature. It is important to understand the trade-offs involved in using telerobotic systems with and without force reflection. Force-reflecting systems are typically more expensive (in mass, volume, and price per unit), but they reduce mean time to repair and may be safer to use, compared to systems without force reflection

US/UK Sensor-To-Shooter Multinational C4 Interoperability Study Force-On-Force Effectiveness Methodology

National Research Council Canada - National Science Library

Bailey, Timothy J

2000-01-01

.... This methodology has been successfully applied to Army, joint, and multinational studies. The latest of these studies, the US/UK Sensor-To-Shooter Multinational C4 Interoperability Study Force-On-Force Analysis, was an effort to measure the value...

Extramuscular myofascial force transmission within the rat anterior tibial compartment: Proximodistal differences in muscle force

NARCIS (Netherlands)

Huijing, P.A.J.B.M.; Baan, G.C.

2001-01-01

Intramuscular connective tissues are continuous to extramuscular connective tissues. If force is transmitted there, differences should be present between force at proximal and distal attachments of muscles. Extensor digitorum longus (EDL), tibialis anterior (TA), and extensor hallucis longus muscles

Large General Purpose Frame for Studying Force Vectors

Science.gov (United States)

Heid, Christy; Rampolla, Donald

2011-01-01

Many illustrations and problems on the vector nature of forces have weights and forces in a vertical plane. One of the common devices for studying the vector nature of forces is a horizontal "force table," in which forces are produced by weights hanging vertically and transmitted to cords in a horizontal plane. Because some students have…

Forcing absoluteness and regularity properties

NARCIS (Netherlands)

Ikegami, D.

2010-01-01

For a large natural class of forcing notions, we prove general equivalence theorems between forcing absoluteness statements, regularity properties, and transcendence properties over L and the core model K. We use our results to answer open questions from set theory of the reals.

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.

Local adhesive surface properties studied by force microscopy

International Nuclear Information System (INIS)

Lekka, M.; Lekki, J.; Marszalek, M.; Stachura, Z.; Cleff, B.

1998-01-01

Scanning force microscopy was used in the contact mode to determine the adhesion force between a mica surface and a silicon nitride tip. The measurements were performed in an aqueous solution of sodium and calcium chlorides. The adhesion force according to the Derjaguin-Landau-Verwey-Overbeek theory depends on the competition between two kinds of forces: van der Waals and electrostatic 'double layer'. Two different curves of adhesion force versus salt concentration were obtained from the experiment with monovalent and divalent ions. The tip-surface adhesion force was determined from a statistical analysis of data obtained from the force vs. distance retracting curves. (author)

Stability of alert survivable forces during reductions

Energy Technology Data Exchange (ETDEWEB)

Canavan, G.H.

1998-01-01

The stability of current and projected strategic forces are discussed within a framework that contains elements of current US and Russian analyses. For current force levels and high alert, stability levels are high, as are the levels of potential strikes, due to the large forces deployed. As force levels drop towards those of current value target sets, the analysis becomes linear, concern shifts from stability to reconstitution, and survivable forces drop out. Adverse marginal costs generally provide disincentives for the reduction of vulnerable weapons, but the exchange of vulnerable for survivable weapons could reduce cost while increasing stability even for aggressive participants. Exchanges between effective vulnerable and survivable missile forces are studied with an aggregated, probabilistic model, which optimizes each sides` first and determines each sides` second strikes and costs by minimizing first strike costs.

Arrhythmogenic Right Ventricular Dysplasia/Cardiomyopathy Diagnostic Task Force Criteria Impact of New Task Force Criteria

NARCIS (Netherlands)

Cox, Moniek G. P. J.; van der Smagt, Jasper J.; Noorman, Maartje; Wiesfeld, Ans C.; Volders, Paul G. A.; van Langen, Irene M.; Atsma, Douwe E.; Dooijes, Dennis; Houweling, Arjan C.; Loh, Peter; Jordaens, Luc; Arens, Yvonne; Cramer, Maarten J.; Doevendans, Pieter A.; van Tintelen, Peter; Wilde, Arthur A. M.; Hauer, Richard N. W.

Background-Arrhythmogenic Right Ventricular Dysplasia/Cardiomyopathy (ARVD/C) Diagnostic Task Force Criteria (TFC) proposed in 1994 are highly specific but lack sensitivity. A new international task force modified criteria to improve diagnostic yield. A comparison of diagnosis by 1994 TFC versus

Tendon Force Transmission at the Nanoscale

DEFF Research Database (Denmark)

Svensson, René

2013-01-01

of connective tissue function that are poorly understood. One such aspect is the microscopic mechanisms of force transmission through tendons over macroscopic distances. Force transmission is at the heart of tendon function, but the large range of scales in the hierarchical structure of tendons has made...... it difficult to tackle. The tendon hierarchy ranges from molecules (2 nm) over fibrils (200 nm), fibers (2 μm) and fascicles (200 μm) to tendons (10 mm), and to derive the mechanisms of force transmission it is necessary to know the mechanical behavior at each hierarchical level. The aim of the present work...... was to elucidate the mechanisms of force transmission in tendons primarily by investigating the mechanical behavior at the hierarchical level of collagen fibrils. To do so we have developed an atomic force microscopy (AFM) method for tensile testing of native collagen fibrils. The thesis contains five papers...

Probing living bacterial adhesion by single cell force spectroscopy using atomic force microscopy

DEFF Research Database (Denmark)

Zeng, Guanghong; Ogaki, Ryosuke; Regina, Viduthalai R.

be considered. We have therefore developed a simple and versatile method to make single-cell bacterial probes for measuring single cell adhesion with atomic force microscopy (AFM).[1] A single-cell probe was readily made by picking up a bacterial cell from a glass surface using a tipless AFM cantilever coated...... random immobilization is obtained by submerging the cantilever in a bacterial suspension. The reported method provides a general platform for investigating single cell interactions of bacteria with different surfaces and other cells by AFM force spectroscopy, thus improving our understanding....... The strain-dependent susceptibility to bacterial colonization on conventional PLL-g-PEG illustrates how bacterial diversity challenges development of “universal” antifouling coatings, and AFM single-cell force spectroscopy was proven to be a powerful tool to provide insights into the molecular mechanisms...

System analysis of force feedback microscopy

International Nuclear Information System (INIS)

Rodrigues, Mario S.; Costa, Luca; Chevrier, Joël; Comin, Fabio

2014-01-01

It was shown recently that the Force Feedback Microscope (FFM) can avoid the jump-to-contact in Atomic force Microscopy even when the cantilevers used are very soft, thus increasing force resolution. In this letter, we explore theoretical aspects of the associated real time control of the tip position. We take into account lever parameters such as the lever characteristics in its environment, spring constant, mass, dissipation coefficient, and the operating conditions such as controller gains and interaction force. We show how the controller parameters are determined so that the FFM functions at its best and estimate the bandwidth of the system under these conditions

System analysis of force feedback microscopy

Energy Technology Data Exchange (ETDEWEB)

Rodrigues, Mario S. [CFMC/Dep. de Física, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa (Portugal); Costa, Luca [European Synchrotron Radiation Facility, 6 rue Jules Horowitz BP 220, 38043 Grenoble Cedex (France); Université Joseph Fourier BP 53, 38041 Grenoble Cedex 9 (France); Chevrier, Joël [European Synchrotron Radiation Facility, 6 rue Jules Horowitz BP 220, 38043 Grenoble Cedex (France); Université Grenoble Alpes, Inst NEEL, F-38042 Grenoble (France); CNRS, Inst NEEL, F-38042 Grenoble (France); Comin, Fabio [European Synchrotron Radiation Facility, 6 rue Jules Horowitz BP 220, 38043 Grenoble Cedex (France)

2014-02-07

It was shown recently that the Force Feedback Microscope (FFM) can avoid the jump-to-contact in Atomic force Microscopy even when the cantilevers used are very soft, thus increasing force resolution. In this letter, we explore theoretical aspects of the associated real time control of the tip position. We take into account lever parameters such as the lever characteristics in its environment, spring constant, mass, dissipation coefficient, and the operating conditions such as controller gains and interaction force. We show how the controller parameters are determined so that the FFM functions at its best and estimate the bandwidth of the system under these conditions.

Is There Space for the Objective Force?

National Research Council Canada - National Science Library

Coffin, Timothy

2003-01-01

The Army has launched itself on a daring trajectory toward the Objective Force. It will transform the Army forces into a more lethal and devastating force through the combination of precision weapons and knowledge-based warfare...

Timing and extent of finger force enslaving during a dynamic force task cannot be explained by EMG activity patterns.

Directory of Open Access Journals (Sweden)

Mojtaba Mirakhorlo

Full Text Available Finger enslaving is defined as the inability of the fingers to move or to produce force independently. Such finger enslaving has predominantly been investigated for isometric force tasks. The aim of this study was to assess whether the extent of force enslaving is dependent on relative finger movements. Ten right-handed subjects (22-30 years flexed the index finger while counteracting constant resistance forces (4, 6 and 8 N orthogonal to the fingertip. The other, non-instructed fingers were held in extension. EMG activities of the mm. flexor digitorum superficialis (FDS and extensor digitorum (ED in the regions corresponding to the index, middle and ring fingers were measured. Forces exerted by the non-instructed fingers increased substantially (by 0.2 to 1.4 N with flexion of the index finger, increasing the enslaving effect with respect to the static, pre-movement phase. Such changes in force were found 260-370 ms after the initiation of index flexion. The estimated MCP joint angle of the index finger at which forces exerted by the non-instructed fingers started to increase varied between 4° and 6°. In contrast to the finger forces, no significant changes in EMG activity of the FDS regions corresponding to the non-instructed fingers upon index finger flexion were found. This mismatch between forces and EMG of the non-instructed fingers, as well as the delay in force development are in agreement with connective tissue linkages being slack when the positions of the fingers are similar, but pulled taut when one finger moves relative to the others. Although neural factors cannot be excluded, our results suggest that mechanical connections between muscle-tendon structures were (at least partly responsible for the observed increase in force enslaving during index finger flexion.

Climate hypersensitivity to solar forcing?

Directory of Open Access Journals (Sweden)

W. Soon

2000-05-01

Full Text Available We compare the equilibrium climate responses of a quasi-dynamical energy balance model to radiative forcing by equivalent changes in CO2, solar total irradiance (Stot and solar UV (SUV. The response is largest in the SUV case, in which the imposed UV radiative forcing is preferentially absorbed in the layer above 250 mb, in contrast to the weak response from global-columnar radiative loading by increases in CO2 or Stot. The hypersensitive response of the climate system to solar UV forcing is caused by strongly coupled feedback involving vertical static stability, tropical thick cirrus ice clouds and stratospheric ozone. This mechanism offers a plausible explanation of the apparent hypersensitivity of climate to solar forcing, as suggested by analyses of recent climatic records. The model hypersensitivity strongly depends on climate parameters, especially cloud radiative properties, but is effective for arguably realistic values of these parameters. The proposed solar forcing mechanism should be further confirmed using other models (e.g., general circulation models that may better capture radiative and dynamical couplings of the troposphere and stratosphere.Key words: Meteorology and atmospheric dynamics (climatology · general or miscellaneous · Solar physics · astrophysics · and astronomy (ultraviolet emissions

Variable Acceleration Force Calibration System (VACS)

Science.gov (United States)

Rhew, Ray D.; Parker, Peter A.; Johnson, Thomas H.; Landman, Drew

2014-01-01

Conventionally, force balances have been calibrated manually, using a complex system of free hanging precision weights, bell cranks, and/or other mechanical components. Conventional methods may provide sufficient accuracy in some instances, but are often quite complex and labor-intensive, requiring three to four man-weeks to complete each full calibration. To ensure accuracy, gravity-based loading is typically utilized. However, this often causes difficulty when applying loads in three simultaneous, orthogonal axes. A complex system of levers, cranks, and cables must be used, introducing increased sources of systematic error, and significantly increasing the time and labor intensity required to complete the calibration. One aspect of the VACS is a method wherein the mass utilized for calibration is held constant, and the acceleration is changed to thereby generate relatively large forces with relatively small test masses. Multiple forces can be applied to a force balance without changing the test mass, and dynamic forces can be applied by rotation or oscillating acceleration. If rotational motion is utilized, a mass is rigidly attached to a force balance, and the mass is exposed to a rotational field. A large force can be applied by utilizing a large rotational velocity. A centrifuge or rotating table can be used to create the rotational field, and fixtures can be utilized to position the force balance. The acceleration may also be linear. For example, a table that moves linearly and accelerates in a sinusoidal manner may also be utilized. The test mass does not have to move in a path that is parallel to the ground, and no re-leveling is therefore required. Balance deflection corrections may be applied passively by monitoring the orientation of the force balance with a three-axis accelerometer package. Deflections are measured during each test run, and adjustments with respect to the true applied load can be made during the post-processing stage. This paper will

Debye-Waller factors of the light actinide metals

International Nuclear Information System (INIS)

Lawson, A.C.; Goldstone, J.A.; Cort, B.; Sheldon, R.I.; Foltyn, E.M.

1994-01-01

The authors have been using time-of-flight neutron powder diffraction to determine the Debye-Waller factors of the light actinide metals. The Debye-Waller factor is a measure of the mean-square atomic displacement that arises from the thermal motion of the atoms in any solid. Its temperature dependence determines a Debye-Waller temperature, Θ DW , that is characteristic of the elastic properties of the solid. The data are obtained by Rietveld analysis of neutron diffraction powder patterns obtained at several temperatures. The authors will present results for α-U, α-Np, α-Pu and σ-Pu 0.95 Al 0.05 . The Θ DW 's are temperature dependent, and anharmonic interatomic forces seem to be required to explain the results