General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures.

Science.gov (United States)

Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel

2015-04-07

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

Microscopic and Macroscopic Structures of Carbon Nanotubes Produced by Pyrolysis of Iron Phthalocyanine

International Nuclear Information System (INIS)

Huang Shaoming; Dai Liming

2002-01-01

By pyrolysis of iron phthalocyanine (FePc), either in a patterned or non-patterned fashion, under an Ar/H 2 atmosphere, we have demonstrated the large-scale production of aligned carbon nanotubes perpendicular to the substrate surface useful for building devices with three-dimensional structures. Depending on the particular pyrolytic conditions used, carbon nanotubes with a wide range of microscopic structures having curved, helical, coiled, branched, and tube-within-tube shapes have also been prepared by the pyrolysis of FePc. This, coupled with several microfabrication methods (photolithography, soft-lithography, self-assembling, micro-contact transfer, etc.), has enabled us to produce carbon nanotube arrays of various macroscopic architectures including polyhedral, flower-like, dendritic, circular, multilayered, and micropatterned geometries. In this article, we summarize our work on the preparation of FePc-generated carbon nanotubes with the large variety of microscopic and macroscopic structures and give a brief overview on the perspectives of making carbon nanotubes with tailor-made microscopic/macroscopic structures, and hence well-defined physicochemical properties, for specific applications

Rank distributions: A panoramic macroscopic outlook

Science.gov (United States)

Eliazar, Iddo I.; Cohen, Morrel H.

2014-01-01

This paper presents a panoramic macroscopic outlook of rank distributions. We establish a general framework for the analysis of rank distributions, which classifies them into five macroscopic "socioeconomic" states: monarchy, oligarchy-feudalism, criticality, socialism-capitalism, and communism. Oligarchy-feudalism is shown to be characterized by discrete macroscopic rank distributions, and socialism-capitalism is shown to be characterized by continuous macroscopic size distributions. Criticality is a transition state between oligarchy-feudalism and socialism-capitalism, which can manifest allometric scaling with multifractal spectra. Monarchy and communism are extreme forms of oligarchy-feudalism and socialism-capitalism, respectively, in which the intrinsic randomness vanishes. The general framework is applied to three different models of rank distributions—top-down, bottom-up, and global—and unveils each model's macroscopic universality and versatility. The global model yields a macroscopic classification of the generalized Zipf law, an omnipresent form of rank distributions observed across the sciences. An amalgamation of the three models establishes a universal rank-distribution explanation for the macroscopic emergence of a prevalent class of continuous size distributions, ones governed by unimodal densities with both Pareto and inverse-Pareto power-law tails.

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

Energy Technology Data Exchange (ETDEWEB)

Liu, Yen, E-mail: yen.liu@nasa.gov; Vinokur, Marcel [NASA Ames Research Center, Moffett Field, California 94035 (United States); Panesi, Marco; Sahai, Amal [University of Illinois, Urbana-Champaign, Illinois 61801 (United States)

2015-04-07

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model’s accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

International Nuclear Information System (INIS)

Liu, Yen; Vinokur, Marcel; Panesi, Marco; Sahai, Amal

2015-01-01

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model’s accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

Analysis and Enhancements of a Prolific Macroscopic Model of Epilepsy

Directory of Open Access Journals (Sweden)

Christopher Fietkiewicz

2016-01-01

Full Text Available Macroscopic models of epilepsy can deliver surprisingly realistic EEG simulations. In the present study, a prolific series of models is evaluated with regard to theoretical and computational concerns, and enhancements are developed. Specifically, we analyze three aspects of the models: (1 Using dynamical systems analysis, we demonstrate and explain the presence of direct current potentials in the simulated EEG that were previously undocumented. (2 We explain how the system was not ideally formulated for numerical integration of stochastic differential equations. A reformulated system is developed to support proper methodology. (3 We explain an unreported contradiction in the published model specification regarding the use of a mathematical reduction method. We then use the method to reduce the number of equations and further improve the computational efficiency. The intent of our critique is to enhance the evolution of macroscopic modeling of epilepsy and assist others who wish to explore this exciting class of models further.

Macroscopic balance model for wave rotors

Science.gov (United States)

Welch, Gerard E.

1996-01-01

A mathematical model for multi-port wave rotors is described. The wave processes that effect energy exchange within the rotor passage are modeled using one-dimensional gas dynamics. Macroscopic mass and energy balances relate volume-averaged thermodynamic properties in the rotor passage control volume to the mass, momentum, and energy fluxes at the ports. Loss models account for entropy production in boundary layers and in separating flows caused by blade-blockage, incidence, and gradual opening and closing of rotor passages. The mathematical model provides a basis for predicting design-point wave rotor performance, port timing, and machine size. Model predictions are evaluated through comparisons with CFD calculations and three-port wave rotor experimental data. A four-port wave rotor design example is provided to demonstrate model applicability. The modeling approach is amenable to wave rotor optimization studies and rapid assessment of the trade-offs associated with integrating wave rotors into gas turbine engine systems.

Comparison of collisionless macroscopic models and application to the ion-electron instability

International Nuclear Information System (INIS)

Ahedo, E.; Lapuerta, V.

2001-01-01

In a first part, different macroscopic models of linear Landau damping are compared using a concise one-dimensional (1-D) collisionless formulation. The three-moment model of Chang and Callen (CC) [Phys. Fluids B 4, 1167 (1992)] with two closure relations (complex in the Fourier space) for the viscous stress and the heat conduction is found to be equivalent to the two-moment model of Stubbe-Sukhorukov (SS) [Phys. Plasmas 6, 2976 (1999)], which uses a single (complex) closure relation for the pressure. The comparison of the respective closure relations favors clearly the SS pressure law, which associates an anomalous resistivity to the Landau damping. In a second part, a macroscopic interpretation, with the SS model, of the ion-electron instability shows its resistive character for low and intermediate drift velocities, and the transition to the reactive Buneman limit. The pressure law for the electrons is found to verify a simple law, whereas approximate laws are discussed for the ion pressure. These laws are used to close a macroscopic model for stability analyses of nonhomogeneous plasma structures, where SS and CC models are not applicable easily

The mirrors model: macroscopic diffusion without noise or chaos

International Nuclear Information System (INIS)

Chiffaudel, Yann; Lefevere, Raphaël

2016-01-01

Before stating our main result, we first clarify through classical examples the status of the laws of macroscopic physics as laws of large numbers. We next consider the mirrors model in a finite d-dimensional domain and connected to particles reservoirs at fixed chemical potentials. The dynamics is purely deterministic and non-ergodic but takes place in a random environment. We study the macroscopic current of particles in the stationary regime. We show first that when the size of the system goes to infinity, the behaviour of the stationary current of particles is governed by the proportion of orbits crossing the system. This allows us to formulate a necessary and sufficient condition on the distribution of the set of orbits that ensures the validity of Fick’s law. Using this approach, we show that Fick’s law relating the stationary macroscopic current of particles to the concentration difference holds in three dimensions and above. The negative correlations between crossing orbits play a key role in the argument. (letter)

Macroscopic modeling for heat and water vapor transfer in dry snow by homogenization.

Science.gov (United States)

Calonne, Neige; Geindreau, Christian; Flin, Frédéric

2014-11-26

Dry snow metamorphism, involved in several topics related to cryospheric sciences, is mainly linked to heat and water vapor transfers through snow including sublimation and deposition at the ice-pore interface. In this paper, the macroscopic equivalent modeling of heat and water vapor transfers through a snow layer was derived from the physics at the pore scale using the homogenization of multiple scale expansions. The microscopic phenomena under consideration are heat conduction, vapor diffusion, sublimation, and deposition. The obtained macroscopic equivalent model is described by two coupled transient diffusion equations including a source term arising from phase change at the pore scale. By dimensional analysis, it was shown that the influence of such source terms on the overall transfers can generally not be neglected, except typically under small temperature gradients. The precision and the robustness of the proposed macroscopic modeling were illustrated through 2D numerical simulations. Finally, the effective vapor diffusion tensor arising in the macroscopic modeling was computed on 3D images of snow. The self-consistent formula offers a good estimate of the effective diffusion coefficient with respect to the snow density, within an average relative error of 10%. Our results confirm recent work that the effective vapor diffusion is not enhanced in snow.

Microscopic and macroscopic models for the onset and progression of Alzheimer's disease

Science.gov (United States)

Bertsch, Michiel; Franchi, Bruno; Carla Tesi, Maria; Tosin, Andrea

2017-10-01

In the first part of this paper we review a mathematical model for the onset and progression of Alzheimer’s disease (AD) that was developed in subsequent steps over several years. The model is meant to describe the evolution of AD in vivo. In Achdou et al (2013 J. Math. Biol. 67 1369-92) we treated the problem at a microscopic scale, where the typical length scale is a multiple of the size of the soma of a single neuron. Subsequently, in Bertsch et al (2017 Math. Med. Biol. 34 193-214) we concentrated on the macroscopic scale, where brain neurons are regarded as a continuous medium, structured by their degree of malfunctioning. In the second part of the paper we consider the relation between the microscopic and the macroscopic models. In particular we show under which assumptions the kinetic transport equation, which in the macroscopic model governs the evolution of the probability measure for the degree of malfunctioning of neurons, can be derived from a particle-based setting. The models are based on aggregation and diffusion equations for β-Amyloid (Aβ from now on), a protein fragment that healthy brains regularly produce and eliminate. In case of dementia Aβ monomers are no longer properly washed out and begin to coalesce forming eventually plaques. Two different mechanisms are assumed to be relevant for the temporal evolution of the disease: (i) diffusion and agglomeration of soluble polymers of amyloid, produced by damaged neurons; (ii) neuron-to-neuron prion-like transmission. In the microscopic model we consider mechanism (i), modelling it by a system of Smoluchowski equations for the amyloid concentration (describing the agglomeration phenomenon), with the addition of a diffusion term as well as of a source term on the neuronal membrane. At the macroscopic level instead we model processes (i) and (ii) by a system of Smoluchowski equations for the amyloid concentration, coupled to a kinetic-type transport equation for the distribution function of the

Modeling diffusion-governed solidification of ternary alloys - Part 2: Macroscopic transport phenomena and macrosegregation.

Science.gov (United States)

Wu, M; Li, J; Ludwig, A; Kharicha, A

2014-09-01

Part 1 of this two-part investigation presented a multiphase solidification model incorporating the finite diffusion kinetics and ternary phase diagram with the macroscopic transport phenomena (Wu et al., 2013). In Part 2, the importance of proper treatment of the finite diffusion kinetics in the calculation of macrosegregation is addressed. Calculations for a two-dimensional (2D) square casting (50 × 50 mm 2 ) of Fe-0.45 wt.%C-1.06 wt.%Mn considering thermo-solutal convection and crystal sedimentation are performed. The modeling result indicates that the infinite liquid mixing kinetics as assumed by classical models (e.g., the Gulliver-Scheil or lever rule), which cannot properly consider the solute enrichment of the interdendritic or inter-granular melt at the early stage of solidification, might lead to an erroneous estimation of the macrosegregation. To confirm this statement, further theoretical and experimental evaluations are desired. The pattern and intensity of the flow and crystal sedimentation are dependent on the crystal morphologies (columnar or equiaxed); hence, the potential error of the calculated macrosegregation caused by the assumed growth kinetics depends on the crystal morphology. Finally, an illustrative simulation of an engineering 2.45-ton steel ingot is performed, and the results are compared with experimental results. This example demonstrates the model applicability for engineering castings regarding both the calculation efficiency and functionality.

A macroscopic model for magnetic shape-memory single crystals

Czech Academy of Sciences Publication Activity Database

Bessoud, A. L.; Kružík, Martin; Stefanelli, U.

2013-01-01

Roč. 64, č. 2 (2013), s. 343-359 ISSN 0044-2275 R&D Projects: GA AV ČR IAA100750802; GA ČR GAP201/10/0357 Institutional support: RVO:67985556 Keywords : magnetostriction * evolution Subject RIV: BA - General Mathematics Impact factor: 1.214, year: 2013 http://library.utia.cas.cz/separaty/2012/MTR/kruzik-a macroscopic model for magnetic shape- memory single crystals.pdf

A comparison of macroscopic models describing the collective response of sedimenting rod-like particles in shear flows

KAUST Repository

Helzel, Christiane; Tzavaras, Athanasios

2016-01-01

We consider a kinetic model, which describes the sedimentation of rod-like particles in dilute suspensions under the influence of gravity, presented in Helzel and Tzavaras (submitted for publication). Here we restrict our considerations to shear flow and consider a simplified situation, where the particle orientation is restricted to the plane spanned by the direction of shear and the direction of gravity. For this simplified kinetic model we carry out a linear stability analysis and we derive two different nonlinear macroscopic models which describe the formation of clusters of higher particle density. One of these macroscopic models is based on a diffusive scaling, the other one is based on a so-called quasi-dynamic approximation. Numerical computations, which compare the predictions of the macroscopic models with the kinetic model, complete our presentation.

A comparison of macroscopic models describing the collective response of sedimenting rod-like particles in shear flows

KAUST Repository

Helzel, Christiane

2016-07-22

We consider a kinetic model, which describes the sedimentation of rod-like particles in dilute suspensions under the influence of gravity, presented in Helzel and Tzavaras (submitted for publication). Here we restrict our considerations to shear flow and consider a simplified situation, where the particle orientation is restricted to the plane spanned by the direction of shear and the direction of gravity. For this simplified kinetic model we carry out a linear stability analysis and we derive two different nonlinear macroscopic models which describe the formation of clusters of higher particle density. One of these macroscopic models is based on a diffusive scaling, the other one is based on a so-called quasi-dynamic approximation. Numerical computations, which compare the predictions of the macroscopic models with the kinetic model, complete our presentation.

Macroscopic constraints on string unification

International Nuclear Information System (INIS)

Taylor, T.R.

1989-03-01

The comparison of sting theory with experiment requires a huge extrapolation from the microscopic distances, of order of the Planck length, up to the macroscopic laboratory distances. The quantum effects give rise to large corrections to the macroscopic predictions of sting unification. I discus the model-independent constraints on the gravitational sector of string theory due to the inevitable existence of universal Fradkin-Tseytlin dilatons. 9 refs

Irradiation-induced patterning in dilute Cu–Fe alloys

International Nuclear Information System (INIS)

Stumphy, B.; Chee, S.W.; Vo, N.Q.; Averback, R.S.; Bellon, P.; Ghafari, M.

2014-01-01

Compositional patterning in dilute Cu 1−x Fe x (x ≈ 12%) induced by 1.8 MeV Kr + irradiation was studied as a function of temperature using atom probe tomography. Irradiation near room temperature led to homogenization of the sample, whereas irradiation at 300 °C and above led to precipitation and macroscopic coarsening. Between these two temperatures the irradiated alloys formed steady state patterns of composition where precipitates grew to a fixed size. The size in this regime increased somewhat with temperature. It was also observed that the steady state concentrations of Fe in Cu matrix and Cu in the Fe precipitates both greatly exceeded their equilibrium solubilities, with the degree of supersaturation in each phase decreasing with increasing temperature. In the macroscopic coarsening regime, the Fe-rich precipitates showed indications of a “cherry-pit” structure, with Cu precipitates forming within the Fe precipitates. In the patterning regime, interfaces between Fe-rich precipitates and the Cu-rich matrix were irregular and diffuse

Modeling of magnetic hystereses in soft MREs filled with NdFeB particles

Science.gov (United States)

Kalina, K. A.; Brummund, J.; Metsch, P.; Kästner, M.; Borin, D. Yu; Linke, J. M.; Odenbach, S.

2017-10-01

Herein, we investigate the structure-property relationships of soft magnetorheological elastomers (MREs) filled with remanently magnetizable particles. The study is motivated from experimental results which indicate a large difference between the magnetization loops of soft MREs filled with NdFeB particles and the loops of such particles embedded in a comparatively stiff matrix, e.g. an epoxy resin. We present a microscale model for MREs based on a general continuum formulation of the magnetomechanical boundary value problem which is valid for finite strains. In particular, we develop an energetically consistent constitutive model for the hysteretic magnetization behavior of the magnetically hard particles. The microstructure is discretized and the problem is solved numerically in terms of a coupled nonlinear finite element approach. Since the local magnetic and mechanical fields are resolved explicitly inside the heterogeneous microstructure of the MRE, our model also accounts for interactions of particles close to each other. In order to connect the microscopic fields to effective macroscopic quantities of the MRE, a suitable computational homogenization scheme is used. Based on this modeling approach, it is demonstrated that the observable macroscopic behavior of the considered MREs results from the rotation of the embedded particles. Furthermore, the performed numerical simulations indicate that the reversion of the sample’s magnetization occurs due to a combination of particle rotations and internal domain conversion processes. All of our simulation results obtained for such materials are in a good qualitative agreement with the experiments.

Superposition and macroscopic observation

International Nuclear Information System (INIS)

Cartwright, N.D.

1976-01-01

The principle of superposition has long plagued the quantum mechanics of macroscopic bodies. In at least one well-known situation - that of measurement - quantum mechanics predicts a superposition. It is customary to try to reconcile macroscopic reality and quantum mechanics by reducing the superposition to a mixture. To establish consistency with quantum mechanics, values for the apparatus after a measurement are to be distributed in the way predicted by the superposition. The distributions observed, however, are those of the mixture. The statistical predictions of quantum mechanics, it appears, are not borne out by observation in macroscopic situations. It has been shown that, insofar as specific ergodic hypotheses apply to the apparatus after the interaction, the superposition which evolves is experimentally indistinguishable from the corresponding mixture. In this paper an idealized model of the measuring situation is presented in which this consistency can be demonstrated. It includes a simplified version of the measurement solution proposed by Daneri, Loinger, and Prosperi (1962). The model should make clear the kind of statistical evidence required to carry of this approach, and the role of the ergodic hypotheses assumed. (Auth.)

Monitoring road traffic congestion using a macroscopic traffic model and a statistical monitoring scheme

KAUST Repository

Zeroual, Abdelhafid; Harrou, Fouzi; Sun, Ying; Messai, Nadhir

2017-01-01

Monitoring vehicle traffic flow plays a central role in enhancing traffic management, transportation safety and cost savings. In this paper, we propose an innovative approach for detection of traffic congestion. Specifically, we combine the flexibility and simplicity of a piecewise switched linear (PWSL) macroscopic traffic model and the greater capacity of the exponentially-weighted moving average (EWMA) monitoring chart. Macroscopic models, which have few, easily calibrated parameters, are employed to describe a free traffic flow at the macroscopic level. Then, we apply the EWMA monitoring chart to the uncorrelated residuals obtained from the constructed PWSL model to detect congested situations. In this strategy, wavelet-based multiscale filtering of data has been used before the application of the EWMA scheme to improve further the robustness of this method to measurement noise and reduce the false alarms due to modeling errors. The performance of the PWSL-EWMA approach is successfully tested on traffic data from the three lane highway portion of the Interstate 210 (I-210) highway of the west of California and the four lane highway portion of the State Route 60 (SR60) highway from the east of California, provided by the Caltrans Performance Measurement System (PeMS). Results show the ability of the PWSL-EWMA approach to monitor vehicle traffic, confirming the promising application of this statistical tool to the supervision of traffic flow congestion.

Monitoring road traffic congestion using a macroscopic traffic model and a statistical monitoring scheme

KAUST Repository

Zeroual, Abdelhafid

2017-08-19

Monitoring vehicle traffic flow plays a central role in enhancing traffic management, transportation safety and cost savings. In this paper, we propose an innovative approach for detection of traffic congestion. Specifically, we combine the flexibility and simplicity of a piecewise switched linear (PWSL) macroscopic traffic model and the greater capacity of the exponentially-weighted moving average (EWMA) monitoring chart. Macroscopic models, which have few, easily calibrated parameters, are employed to describe a free traffic flow at the macroscopic level. Then, we apply the EWMA monitoring chart to the uncorrelated residuals obtained from the constructed PWSL model to detect congested situations. In this strategy, wavelet-based multiscale filtering of data has been used before the application of the EWMA scheme to improve further the robustness of this method to measurement noise and reduce the false alarms due to modeling errors. The performance of the PWSL-EWMA approach is successfully tested on traffic data from the three lane highway portion of the Interstate 210 (I-210) highway of the west of California and the four lane highway portion of the State Route 60 (SR60) highway from the east of California, provided by the Caltrans Performance Measurement System (PeMS). Results show the ability of the PWSL-EWMA approach to monitor vehicle traffic, confirming the promising application of this statistical tool to the supervision of traffic flow congestion.

Microscopic and macroscopic models for the onset and progression of Alzheimer's disease

International Nuclear Information System (INIS)

Bertsch, Michiel; Franchi, Bruno; Tesi, Maria Carla; Tosin, Andrea

2017-01-01

In the first part of this paper we review a mathematical model for the onset and progression of Alzheimer’s disease (AD) that was developed in subsequent steps over several years. The model is meant to describe the evolution of AD in vivo . In Achdou et al (2013 J. Math. Biol . 67 1369–92) we treated the problem at a microscopic scale, where the typical length scale is a multiple of the size of the soma of a single neuron. Subsequently, in Bertsch et al (2017 Math. Med. Biol . 34 193–214) we concentrated on the macroscopic scale, where brain neurons are regarded as a continuous medium, structured by their degree of malfunctioning. In the second part of the paper we consider the relation between the microscopic and the macroscopic models. In particular we show under which assumptions the kinetic transport equation, which in the macroscopic model governs the evolution of the probability measure for the degree of malfunctioning of neurons, can be derived from a particle-based setting. The models are based on aggregation and diffusion equations for β -Amyloid (A β from now on), a protein fragment that healthy brains regularly produce and eliminate. In case of dementia A β monomers are no longer properly washed out and begin to coalesce forming eventually plaques. Two different mechanisms are assumed to be relevant for the temporal evolution of the disease: (i) diffusion and agglomeration of soluble polymers of amyloid, produced by damaged neurons; (ii) neuron-to-neuron prion-like transmission. In the microscopic model we consider mechanism (i), modelling it by a system of Smoluchowski equations for the amyloid concentration (describing the agglomeration phenomenon), with the addition of a diffusion term as well as of a source term on the neuronal membrane. At the macroscopic level instead we model processes (i) and (ii) by a system of Smoluchowski equations for the amyloid concentration, coupled to a kinetic-type transport equation for the distribution

Structure and magnetism in Co/X, Fe/Si, and Fe/(FeSi) multilayers

Science.gov (United States)

Franklin, Michael Ray

Previous studies have shown that magnetic behavior in multilayers formed by repeating a bilayer unit comprised of a ferromagnetic layer and a non-magnetic spacer layer can be affected by small structural differences. For example, a macroscopic property such as giant magnetoresistance (GMR) is believed to depend significantly upon interfacial roughness. In this study, several complimentary structural probes were used to carefully characterize the structure of several sputtered multilayer systems-Co/Ag, Co/Cu, Co/Mo, Fe/Si, and Fe//[FeSi/]. X-ray diffraction (XRD) studies were used to examine the long-range structural order of the multilayers perpendicular to the plane of the layers. Transmission electron diffraction (TED) studies were used to probe the long-range order parallel to the layer plane. X-ray Absorption Fine Structure (XAFS) studies were used to determine the average local structural environment of the ferromagnetic atoms. For the Co/X systems, a simple correlation between crystal structure and saturation magnetization is discovered for the Co/Mo system. For the Fe/X systems, direct evidence of an Fe-silicide is found for the /[FeSi/] spacer layer but not for the Si spacer layer. Additionally, differences were observed in the magnetic behavior between the Fe in the nominally pure Fe layer and the Fe contained in the /[FeSi/] spacer layers.

Beating the macroscopic quantum tunneling limit by man-made magnetic dead layers

Science.gov (United States)

Ma, Ji; Chen, Kezheng

2018-05-01

Magnetic dead layers (MDLs) are always undesirable in practical applications due to their highly frustrated spin configurations and severe degradation of host magnetism. Here we provide new insights in MDLs and unravel their attractive prospect for ferrimagnetic hybrid of Fe3O4 and γ-Fe2O3 (denoted as Fe3O4@γ-Fe2O3 in the main text) to exhibit macroscopic quantum tunneling (MQT) phenomena in measureable kelvin range. The 3 nm-sized negatively-charged Fe3O4@γ-Fe2O3 nanoparticles were immersed in various metal chloride solutions containing Mn2+, Co2+, Ni2+, Fe3+, and Fe2+ cations to form cationic MDLs via electrostatic attraction. These man-made MDLs, if being of positive enough zeta potentials, greatly disordered the magnetic dipole interactions among Fe3O4@γ-Fe2O3 nanoparticles and induce extra energy barrier to yield pronounced MQT effect in Fe3O4@γ-Fe2O3 nanoparticles even though they were dispersed neither in water nor in oil. Their crossover temperatures dividing MQT and purely thermal relaxation were found to be one order of magnitude higher than reported values in other MQT systems, and more strikingly, they could be tailored by altering the soak period in our facile and scalable route.

Using Non-linear Homogenization to Improve the Performance of Macroscopic Damage Models of Trabecular Bone.

Science.gov (United States)

Levrero-Florencio, Francesc; Pankaj, Pankaj

2018-01-01

Realistic macro-level finite element simulations of the mechanical behavior of trabecular bone, a cellular anisotropic material, require a suitable constitutive model; a model that incorporates the mechanical response of bone for complex loading scenarios and includes post-elastic phenomena, such as plasticity (permanent deformations) and damage (permanent stiffness reduction), which bone is likely to experience. Some such models have been developed by conducting homogenization-based multiscale finite element simulations on bone micro-structure. While homogenization has been fairly successful in the elastic regime and, to some extent, in modeling the macroscopic plastic response, it has remained a challenge with respect to modeling damage. This study uses a homogenization scheme to upscale the damage behavior from the tissue level (microscale) to the organ level (macroscale) and assesses the suitability of different damage constitutive laws. Ten cubic specimens were each subjected to 21 strain-controlled load cases for a small range of macroscopic post-elastic strains. Isotropic and anisotropic criteria were considered, density and fabric relationships were used in the formulation of the damage law, and a combined isotropic/anisotropic law with tension/compression asymmetry was formulated, based on the homogenized results, as a possible alternative to the currently used single scalar damage criterion. This computational study enhances the current knowledge on the macroscopic damage behavior of trabecular bone. By developing relationships of damage progression with bone's micro-architectural indices (density and fabric) the study also provides an aid for the creation of more precise macroscale continuum models, which are likely to improve clinical predictions.

Agent-Based and Macroscopic Modeling of the Complex Socio-Economic Systems

Directory of Open Access Journals (Sweden)

Aleksejus Kononovičius

2013-08-01

Full Text Available Purpose – The focus of this contribution is the correspondence between collective behavior and inter-individual interactions in the complex socio-economic systems. Currently there is a wide selection of papers proposing various models for the both collective behavior and inter-individual interactions in the complex socio-economic systems. Yet the papers directly relating these two concepts are still quite rare. By studying this correspondence we discuss a cutting edge approach to the modeling of complex socio-economic systems. Design/methodology/approach – The collective behavior is often modeled using stochastic and ordinary calculus, while the inter-individual interactions are modeled using agent-based models. In order to obtain the ideal model, one should start from these frameworks and build a bridge to reach another. This is a formidable task, if we consider the top-down approach, namely starting from the collective behavior and moving towards inter-individual interactions. The bottom-up approach also fails, if complex inter-individual interaction models are considered, yet in this case we can start with simple models and increase the complexity as needed. Findings – The bottom-up approach, considering simple agent-based herding model as a model for the inter-individual interactions, allows us to derive certain macroscopic models of the complex socio-economic systems from the agent-based perspective. This provides interesting insights into the collective behavior patterns observed in the complex socio-economic systems. Research limitations/implications –The simplicity of the agent-based herding model might be considered to be somewhat limiting. Yet this simplicity implies that the model is highly universal. It reproduces universal features of social behavior and also can be further extended to fit different socio-economic scenarios. Practical implications – Insights provided in this contribution might be used to modify existing

Dynamic Model and Control of a Photovoltaic Generation System using Energetic Macroscopic Representation

Science.gov (United States)

Solano, Javier; Duarte, José; Vargas, Erwin; Cabrera, Jhon; Jácome, Andrés; Botero, Mónica; Rey, Juan

2016-10-01

This paper addresses the Energetic Macroscopic Representation EMR, the modelling and the control of photovoltaic panel PVP generation systems for simulation purposes. The model of the PVP considers the variations on irradiance and temperature. A maximum power point tracking MPPT algorithm is considered to control the power converter. A novel EMR is proposed to consider the dynamic model of the PVP with variations in the irradiance and the temperature. The EMR is evaluated through simulations of a PVP generation system.

Classical behaviour of macroscopic bodies and quantum measurements

International Nuclear Information System (INIS)

Ghirardi, G.; Rimini, A.; Weber, T.

1986-01-01

This report describes a recent attempt of giving a consistent and unified description of microscopic and macroscopic phenomena. The model presented in this paper exhibits the nice features of leaving unaltered the quantum description of microsystems and of accounting for the classical behaviour of the macroscopic objects when their dynamical evolution is consistently deduced from the dynamics of their elementary constituents

Macroscopic and non-linear quantum games

International Nuclear Information System (INIS)

Aerts, D.; D'Hooghe, A.; Posiewnik, A.; Pykacz, J.

2005-01-01

Full text: We consider two models of quantum games. The first one is Marinatto and Weber's 'restricted' quantum game in which only the identity and the spin-flip operators are used. We show that this quantum game allows macroscopic mechanistic realization with the use of a version of the 'macroscopic quantum machine' described by Aerts already in 1980s. In the second model we use non-linear quantum state transformations which operate on points of spin-1/2 on the Bloch sphere and which can be used to distinguish optimally between two non-orthogonal states. We show that efficiency of these non-linear strategies out-perform any linear ones. Some hints on the possible theory of non-linear quantum games are given. (author)

Equation-Free Analysis of Macroscopic Behavior in Traffic and Pedestrian Flow

DEFF Research Database (Denmark)

Marschler, Christian; Sieber, Jan; Hjorth, Poul G.

2014-01-01

Equation-free methods make possible an analysis of the evolution of a few coarse-grained or macroscopic quantities for a detailed and realistic model with a large number of fine-grained or microscopic variables, even though no equations are explicitly given on the macroscopic level. This will fac......Equation-free methods make possible an analysis of the evolution of a few coarse-grained or macroscopic quantities for a detailed and realistic model with a large number of fine-grained or microscopic variables, even though no equations are explicitly given on the macroscopic level....... This will facilitate a study of how the model behavior depends on parameter values including an understanding of transitions between different types of qualitative behavior. These methods are introduced and explained for traffic jam formation and emergence of oscillatory pedestrian counter flow in a corridor...

Macroscopic averages in Qed in material media

International Nuclear Information System (INIS)

Dutra, S.M.; Furuya, K.

1997-01-01

The starting point of macroscopic theories of quantum electrodynamics in material media is usually the classical macroscopic Maxwell equations that are then quantized. Such approach however, is based on the assumption that a macroscopic description is attainable, i.e., it assumes that we can describe the effect of the atoms of material on the field only in terms of a dielectric constant in the regime where the field has to be treated quantum mechanically. The problem we address is whether this assumption is valid at all and if so, under what conditions. We have chosen a simple model, which allows us to start from first principles and determine the validity of these approximations, without simply taking them for granted as in previous papers

On the macroscopic modeling of dilute emulsions under flow in the presence of particle inertia

Science.gov (United States)

Mwasame, Paul M.; Wagner, Norman J.; Beris, Antony N.

2018-03-01

Recently, Mwasame et al. ["On the macroscopic modeling of dilute emulsions under flow," J. Fluid Mech. 831, 433 (2017)] developed a macroscopic model for the dynamics and rheology of a dilute emulsion with droplet morphology in the limit of negligible particle inertia using the bracket formulation of non-equilibrium thermodynamics of Beris and Edwards [Thermodynamics of Flowing Systems: With Internal Microstructure (Oxford University Press on Demand, 1994)]. Here, we improve upon that work to also account for particle inertia effects. This advance is facilitated by using the bracket formalism in its inertial form that allows for the natural incorporation of particle inertia effects into macroscopic level constitutive equations, while preserving consistency to the previous inertialess approximation in the limit of zero inertia. The parameters in the resultant Particle Inertia Thermodynamically Consistent Ellipsoidal Emulsion (PITCEE) model are selected by utilizing literature-available mesoscopic theory for the rheology at small capillary and particle Reynolds numbers. At steady state, the lowest level particle inertia effects can be described by including an additional non-affine inertial term into the evolution equation for the conformation tensor, thereby generalizing the Gordon-Schowalter time derivative. This additional term couples the conformation and vorticity tensors and is a function of the Ohnesorge number. The rheological and microstructural predictions arising from the PITCEE model are compared against steady-shear simulation results from the literature. They show a change in the signs of the normal stress differences that is accompanied by a change in the orientation of the major axis of the emulsion droplet toward the velocity gradient direction with increasing Reynolds number, capturing the two main signatures of particle inertia reported in simulations.

Macroscopic Modeling of Transport Phenomena in Direct Methanol Fuel Cells

DEFF Research Database (Denmark)

Olesen, Anders Christian

An increasing need for energy efficiency and high energy density has sparked a growing interest in direct methanol fuel cells for portable power applications. This type of fuel cell directly generates electricity from a fuel mixture consisting of methanol and water. Although this technology...... surpasses batteries in important areas, fundamental research is still required to improve durability and performance. Particularly the transport of methanol and water within the cell structure is difficult to study in-situ. A demand therefore exist for the fundamental development of mathematical models...... for studying their transport. In this PhD dissertation the macroscopic transport phenomena governing direct methanol fuel cell operation are analyzed, discussed and modeled using the two-fluid approach in the computational fluid dynamics framework of CFX 14. The overall objective of this work is to extend...

Formation mechanisms of neutral Fe layers in the thermosphere at Antarctica studied with a thermosphere-ionosphere Fe/Fe+ (TIFe) model

Science.gov (United States)

Chu, Xinzhao; Yu, Zhibin

2017-06-01

With a thermosphere-ionosphere Fe/Fe+ (TIFe) model developed from first principles at the University of Colorado, we present the first quantitative investigation of formation mechanisms of thermospheric Fe layers observed by lidar in Antarctica. These recently discovered neutral metal layers in the thermosphere between 100 and 200 km provide unique tracers for studies of fundamental processes in the space-atmosphere interaction region. The TIFe model formulates and expands the TIFe theory originally proposed by Chu et al. that the thermospheric Fe layers are produced through the neutralization of converged Fe+ layers. Through testing mechanisms and reproducing the 28 May 2011 event at McMurdo, we conceive the lifecycle of meteoric metals via deposition, transport, chemistry, and wave dynamics for thermospheric Fe layers with gravity wave signatures. While the meteor injection of iron species is negligible above 120 km, the polar electric field transports metallic ions Fe+ upward from their main deposition region into the E-F regions, providing the major source of Fe+ (and accordingly Fe) in the thermosphere. Atmospheric wave-induced vertical shears of vertical and horizontal winds converge Fe+ to form dense Fe+ layers. Direct electron-Fe+ recombination is the major channel to neutralize Fe+ layers to form Fe above 120 km. Fe layer shapes are determined by multiple factors of neutral winds, electric field, and aurora activity. Gravity-wave-induced vertical wind plays a key role in forming gravity-wave-shaped Fe layers. Aurora particle precipitation enhances Fe+ neutralization by increasing electron density while accelerating Fe loss via charge transfer with enhanced NO+ and O2+ densities.Plain Language SummaryThe discoveries of neutral metal layers reaching near 200 km in the thermosphere have significant scientific merit because such discoveries challenge the current understandings of upper atmospheric composition, chemistry, dynamics, electrodynamics, and

Dynamical fusion thresholds in macroscopic and microscopic theories

International Nuclear Information System (INIS)

Davies, K.T.R.; Sierk, A.J.; Nix, J.R.

1983-01-01

Macroscopic and microscopic results demonstrating the existence of dynamical fusion thresholds are presented. For macroscopic theories, it is shown that the extra-push dynamics is sensitive to some details of the models used, e.g. the shape parametrization and the type of viscosity. The dependence of the effect upon the charge and angular momentum of the system is also studied. Calculated macroscopic results for mass-symmetric systems are compared to experimental mass-asymmetric results by use of a tentative scaling procedure, which takes into account both the entrance-channel and the saddle-point regions of configuration space. Two types of dynamical fusion thresholds occur in TDHF studies: (1) the microscopic analogue of the macroscopic extra push threshold, and (2) the relatively high energy at which the TDHF angular momentum window opens. Both of these microscopic thresholds are found to be very sensitive to the choice of the effective two-body interaction

What are the mesoscopic magnetic inhomogeneities in the dilute PdFeMn alloy? Polarized neutron study

Energy Technology Data Exchange (ETDEWEB)

Gordeev, G.; Axelrod, L.; Zabenkin, V.; Lazebnik, I.; Grigoriev, S.; Wagner, V.; Eckerlebe, H

2003-07-01

The 3D analysis of neutron depolarization was carried out for different thermomagnetic treatment of the dilute PdFeMn alloy versus temperature and magnetic field applied in magnetizing/demagnetizing cycles. Both the macroscopic magnetization and the mean fluctuation of local magnetization behavior were subtracted from experimental data. A complicated behavior of the latter was observed. The hysteresis of local magnetization fluctuations is found out but that of macroscopic magnetization is practically absent. The effort to apply the simple model for the description of magnetic inhomogeneities was made in order to understand the mesostructure of this alloy.

Modeling two-stage bunch compression with wakefields: Macroscopic properties and microbunching instability

Directory of Open Access Journals (Sweden)

R. A. Bosch

2008-09-01

Full Text Available In a two-stage compression and acceleration system, where each stage compresses a chirped bunch in a magnetic chicane, wakefields affect high-current bunches. The longitudinal wakes affect the macroscopic energy and current profiles of the compressed bunch and cause microbunching at short wavelengths. For macroscopic wavelengths, impedance formulas and tracking simulations show that the wakefields can be dominated by the resistive impedance of coherent edge radiation. For this case, we calculate the minimum initial bunch length that can be compressed without producing an upright tail in phase space and associated current spike. Formulas are also obtained for the jitter in the bunch arrival time downstream of the compressors that results from the bunch-to-bunch variation of current, energy, and chirp. Microbunching may occur at short wavelengths where the longitudinal space-charge wakes dominate or at longer wavelengths dominated by edge radiation. We model this range of wavelengths with frequency-dependent impedance before and after each stage of compression. The growth of current and energy modulations is described by analytic gain formulas that agree with simulations.

Decoherence bypass of macroscopic superpositions in quantum measurement

International Nuclear Information System (INIS)

Spehner, Dominique; Haake, Fritz

2008-01-01

We study a class of quantum measurement models. A microscopic object is entangled with a macroscopic pointer such that a distinct pointer position is tied to each eigenvalue of the measured object observable. Those different pointer positions mutually decohere under the influence of an environment. Overcoming limitations of previous approaches we (i) cope with initial correlations between pointer and environment by considering them initially in a metastable local thermal equilibrium, (ii) allow for object-pointer entanglement and environment-induced decoherence of distinct pointer readouts to proceed simultaneously, such that mixtures of macroscopically distinct object-pointer product states arise without intervening macroscopic superpositions, and (iii) go beyond the Markovian treatment of decoherence. (fast track communication)

Comparison of Ab initio low-energy models for LaFePO, LaFeAsO, BaFe2As2, LiFeAs, FeSe, and FeTe. Electron correlation and covalency

International Nuclear Information System (INIS)

Miyake, Takashi; Nakamura, Kazuma; Arita, Ryotaro; Imada, Masatoshi

2010-01-01

Effective low-energy Hamiltonians for several different families of iron-based superconductors are compared after deriving them from the downfolding scheme based on first-principles calculations. Systematic dependences of the derived model parameters on the families are elucidated, many of which are understood from the systematic variation of the covalency between Fe-3d and pnictogen-/chalcogen-p orbitals. First, LaFePO, LaFeAsO (1111), BaFe 2 As 2 (122), LiFeAs (111), FeSe, and FeTe (11) have overall similar band structures near the Fermi level, where the total widths of 10-fold Fe-3d bands are mostly around 4.5 eV. However, the derived effective models of the 10-fold Fe-3d bands (d model) for FeSe and FeTe have substantially larger effective onsite Coulomb interactions U - 4.2 and 3.4 eV, respectively, after the screening by electrons on other bands and after averaging over orbitals, as compared to ∼2.5 eV for LaFeAsO. The difference is similar in the effective models containing p orbitals of As, Se or Te (dp or dpp model), where U ranges from ∼4 eV for the 1111 family to ∼7 eV for the 11 family. The exchange interaction J has a similar tendency. The family dependence of models indicates a wide variation ranging from weak correlation regime (LaFePO) to substantially strong correlation regime (FeSe). The origin of the larger effective interaction in the 11 family is ascribed to smaller spread of the Wannier orbitals generating larger bare interaction, and to fewer screening channels by the other bands. This variation is primarily derived from the distance h between the pnictogen/chalcogen position and the Fe layer: The longer h for the 11 family generates more ionic character of the bonding between iron and anion atoms, while the shorter h for the 1111 family leads to more covalent-bonding character, the larger spread of the Wannier orbitals, and more efficient screening by the anion p orbitals. The screened interaction of the d model is strongly orbital

A macroscopic cross-section model for BWR pin-by-pin core analysis

International Nuclear Information System (INIS)

Fujita, Tatsuya; Endo, Tomohiro; Yamamoto, Akio

2014-01-01

A macroscopic cross-section model used in boiling water reactor (BWR) pin-by-pin core analysis is studied. In the pin-by-pin core calculation method, pin-cell averaged cross sections are calculated for many combinations of core state and depletion history variables and are tabulated prior to core calculations. Variations of cross sections in a core simulator are caused by two different phenomena (i.e. instantaneous and history effects). We treat them through the core state variables and the exposure-averaged core state variables, respectively. Furthermore, the cross-term effect among the core state and the depletion history variables is considered. In order to confirm the calculation accuracy and discuss the treatment of the cross-term effect, the k-infinity and the pin-by-pin fission rate distributions in a single fuel assembly geometry are compared. Some cross-term effects could be negligible since the impacts of them are sufficiently small. However, the cross-term effects among the control rod history (or the void history) and other variables have large impacts; thus, the consideration of them is crucial. The present macroscopic cross-section model, which considers such dominant cross-term effects, well reproduces the reference results and can be a candidate in practical applications for BWR pin-by-pin core analysis on the normal operations. (author)

Transverse excitations in liquid Fe, Cu and Zn

International Nuclear Information System (INIS)

Hosokawa, S; Inui, M; Kajihara, Y; Tsutsui, S; Baron, A Q R

2015-01-01

Transverse acoustic (TA) excitation modes were observed in inelastic x-ray scattering spectra of liquid Fe, Cu and Zn. From the analysis of current correlation functions, we concluded that TA excitation modes can experimentally be detected through the quasi-TA branches in the longitudinal current correlation spectra in these liquid metals. The microscopic elastic constants are estimated and a characteristic difference from macroscopic polycrystalline value was found in Poisson's ratio of liquid Fe, which shows an extremely softer value of ∼0.38 compared with the macroscopic value of ∼0.275. The lifetime of the TA modes were determined to be ∼0.45 ps for liquid Fe and Cu and ∼0.55 ps for liquid Zn, reflecting different interatomic correlations between liquid transition metals and non-transition metals. The propagation length of the TA modes are ∼0.85 nm in all of liquid metals, corresponding to the size of icosahedral or similar size of cages formed instantaneously in these liquid metals. (paper)

Self-Poling of BiFeO3 Thick Films.

Science.gov (United States)

Khomyakova, Evgeniya; Sadl, Matej; Ursic, Hana; Daniels, John; Malic, Barbara; Bencan, Andreja; Damjanovic, Dragan; Rojac, Tadej

2016-08-03

Bismuth ferrite (BiFeO3) is difficult to pole because of the combination of its high coercive field and high electrical conductivity. This problem is particularly pronounced in thick films. The poling, however, must be performed to achieve a large macroscopic piezoelectric response. This study presents evidence of a prominent and reproducible self-poling effect in few-tens-of-micrometer-thick BiFeO3 films. Direct and converse piezoelectric measurements confirmed that the as-sintered BiFeO3 thick films yield d33 values of up to ∼20 pC/N. It was observed that a significant self-poling effect only appears in cases when the films are heated and cooled through the ferroelectric-paraelectric phase transition (Curie temperature TC ∼ 820 °C). These self-poled films exhibit a microstructure with randomly oriented columnar grains. The presence of a compressive strain gradient across the film thickness cooled from above the TC was experimentally confirmed and is suggested to be responsible for the self-poling effect. Finally, the macroscopic d33 response of the self-poled BiFeO3 film was characterized as a function of the driving-field frequency and amplitude.

Macroscopic lattice Boltzmann model for heat and moisture transfer process with phase transformation in unsaturated porous media during freezing process

Directory of Open Access Journals (Sweden)

Song Wenyu

2017-06-01

Full Text Available In the current study, a macroscopic lattice Boltzmann model for simulating the heat and moisture transport phenomenon in unsaturated porous media during the freezing process was proposed. The proposed model adopted percolation threshold to reproduce the extra resistance in frozen fringe during the freezing process. The freezing process in Kanagawa sandy loam soil was demonstrated by the proposed model. The numerical result showed good agreement with the experimental result. The proposed model also offered higher computational efficiency and better agreement with the experimental result than the existing numerical models. Lattice Boltzmann method is suitable for simulating complex heat and mass transfer process in porous media at macroscopic scale under proper dimensionless criterion, which makes it a potentially powerful tool for engineering application.

Biomimetic peptide-based models of [FeFe]-hydrogenases: utilization of phosphine-containing peptides

Energy Technology Data Exchange (ETDEWEB)

Roy, Souvik [Department of Chemistry and Biochemistry; Arizona State University; Tempe, USA; Nguyen, Thuy-Ai D. [Department of Chemistry and Biochemistry; Arizona State University; Tempe, USA; Gan, Lu [Department of Chemistry and Biochemistry; Arizona State University; Tempe, USA; Jones, Anne K. [Department of Chemistry and Biochemistry; Arizona State University; Tempe, USA

2015-01-01

Peptide based models for [FeFe]-hydrogenase were synthesized utilizing unnatural phosphine-amino acids and their electrocatalytic properties were investigated in mixed aqueous-organic solvents.

Dynamical and quasi-static multi-physical models of a diesel internal combustion engine using Energetic Macroscopic Representation

International Nuclear Information System (INIS)

Horrein, L.; Bouscayrol, A.; Cheng, Y.; El Fassi, M.

2015-01-01

Highlights: • Internal Combustion Engine (ICE) dynamical and static models. • Organization of ICE model using Energetic Macroscopic Representation. • Description of the distribution of the chemical, thermal and mechanical power. • Implementation of the ICE model in a global vehicle model. - Abstract: In the simulation of new vehicles, the Internal Combustion Engine (ICE) is generally modeled by a static map. This model yields the mechanical power and the fuel consumption. But some studies require the heat energy from the ICE to be considered (i.e. waste heat recovery, thermal regulation of the cabin). A dynamical multi-physical model of a diesel engine is developed to consider its heat energy. This model is organized using Energetic Macroscopic Representation (EMR) in order to be interconnected to other various models of vehicle subsystems. An experimental validation is provided. Moreover a multi-physical quasi-static model is also derived. According to different modeling aims, a comparison of the dynamical and the quasi-static model is discussed in the case of the simulation of a thermal vehicle. These multi-physical models with different simulation time consumption provide good basis for studying the effects of the thermal energy on the vehicle behaviors, including the possibilities of waste heat recovery

Modeling Macroscopic Shape Distortions during Sintering of Multi-layers

DEFF Research Database (Denmark)

Tadesse Molla, Tesfaye

as to help achieve defect free multi-layer components. The initial thickness ratio between the layers making the multi-layer has also significant effect on the extent of camber evolution depending on the material systems. During sintering of tubular bi-layer structures, tangential (hoop) stresses are very...... large compared to radial stresses. The maximum value of hoop stress, which can generate processing defects such as cracks and coating peel-offs, occurs at the beginning of the sintering cycle. Unlike most of the models defining material properties based on porosity and grain size only, the multi...... (firing). However, unintended features like shape instabilities of samples, cracks or delamination of layers may arise during sintering of multi-layer composites. Among these defects, macroscopic shape distortions in the samples can cause problems in the assembly or performance of the final component...

Role of stochastic fluctuations in the charge on macroscopic particles in dusty plasmas

International Nuclear Information System (INIS)

Vaulina, O.S.; Nefedov, A.P.; Petrov, O.F.; Khrapak, S.A.

1999-01-01

The currents which charge a macroscopic particle placed in a plasma consist of discrete charges; hence, the charge can undergo random fluctuations about its equilibrium value. These random fluctuations can be described by a simple model which, if the mechanisms for charging of macroscopic particles are known, makes it possible to determine the dependence of the temporal and amplitude characteristics of the fluctuations on the plasma parameters. This model can be used to study the effect of charge fluctuations on the dynamics of the macroscopic particles. The case of so-called plasma-dust crystals (i.e., highly ordered structures which develop because of strong interactions among macroscopic particles) in laboratory gaseous discharge plasmas is considered as an example. The molecular dynamics method shows that, under certain conditions, random fluctuations in the charge can effectively heat a system of macroscopic particles, thereby impeding the ordering process

Constitutive modeling of two-phase metallic composites with application to tungsten-based composite 93W–4.9Ni–2.1Fe

International Nuclear Information System (INIS)

Lu, W.R.; Gao, C.Y.; Ke, Y.L.

2014-01-01

The two-phase metallic composites, composed by the metallic particulate reinforcing phase and the metallic matrix phase, have attracted a lot of attention in recent years for their excellent material properties. However, the constitutive modeling of two-phase metallic composites is still lacking currently. Most used models for them are basically oriented for single-phase homogeneous metallic materials, and have not considered the microstructural evolution of the components in the composite. This paper develops a new constitutive model for two-phase metallic composites based on the thermally activated dislocation motion mechanism and the volume fraction evolution. By establishing the relation between microscopic volume fraction and macroscopic state variables (strain, strain rate and temperature), the evolution law of volume fraction during the plastic deformation in two-phase composites is proposed for the first time and introduced into the new model. Then the new model is applied to a typical two-phase tungsten-based composite – 93W–4.9Ni–2.1Fe tungsten heavy alloy. It has been found that our model can effectively describe the plastic deformation behaviors of the tungsten-based composite, because of the introduction of volume fraction evolution and the connecting of macroscopic state variables and micromechanical characteristics in the constitutive model. The model's validation by experimental data indicates that our new model can provide a satisfactory prediction of flow stress for two-phase metallic composites, which is better than conventional single-phase homogeneous constitutive models including the Johnson–Cook (JC), Khan–Huang–Liang (KHL), Nemat-Nasser–Li (NNL), Zerilli–Armstrong (ZA) and Voyiadjis–Abed (VA) models

Atom exchange between aqueous Fe(II) and structural Fe in clay minerals.

Science.gov (United States)

Neumann, Anke; Wu, Lingling; Li, Weiqiang; Beard, Brian L; Johnson, Clark M; Rosso, Kevin M; Frierdich, Andrew J; Scherer, Michelle M

2015-03-03

Due to their stability toward reductive dissolution, Fe-bearing clay minerals are viewed as a renewable source of Fe redox activity in diverse environments. Recent findings of interfacial electron transfer between aqueous Fe(II) and structural Fe in clay minerals and electron conduction in octahedral sheets of nontronite, however, raise the question whether Fe interaction with clay minerals is more dynamic than previously thought. Here, we use an enriched isotope tracer approach to simultaneously trace Fe atom movement from the aqueous phase to the solid ((57)Fe) and from the solid into the aqueous phase ((56)Fe). Over 6 months, we observed a significant decrease in aqueous (57)Fe isotope fraction, with a fast initial decrease which slowed after 3 days and stabilized after about 50 days. For the aqueous (56)Fe isotope fraction, we observed a similar but opposite trend, indicating that Fe atom movement had occurred in both directions: from the aqueous phase into the solid and from the solid into aqueous phase. We calculated that 5-20% of structural Fe in clay minerals NAu-1, NAu-2, and SWa-1 exchanged with aqueous Fe(II), which significantly exceeds the Fe atom layer exposed directly to solution. Calculations based on electron-hopping rates in nontronite suggest that the bulk conduction mechanism previously demonstrated for hematite1 and suggested as an explanation for the significant Fe atom exchange observed in goethite2 may be a plausible mechanism for Fe atom exchange in Fe-bearing clay minerals. Our finding of 5-20% Fe atom exchange in clay minerals indicates that we need to rethink how Fe mobility affects the macroscopic properties of Fe-bearing phyllosilicates and its role in Fe biogeochemical cycling, as well as its use in a variety of engineered applications, such as landfill liners and nuclear repositories.

Wave dynamics in an extended macroscopic traffic flow model with periodic boundaries

Science.gov (United States)

Wang, Yu-Qing; Chu, Xing-Jian; Zhou, Chao-Fan; Yan, Bo-Wen; Jia, Bin; Fang, Chen-Hao

2018-06-01

Motivated by the previous traffic flow model considering the real-time traffic state, a modified macroscopic traffic flow model is established. The periodic boundary condition is applied to the car-following model. Besides, the traffic state factor R is defined in order to correct the real traffic conditions in a more reasonable way. It is a key step that we introduce the relaxation time as a density-dependent function and provide corresponding evolvement of traffic flow. Three different typical initial densities, namely the high density, the medium one and the low one, are intensively investigated. It can be found that the hysteresis loop exists in the proposed periodic-boundary system. Furthermore, the linear and nonlinear stability analyses are performed in order to test the robustness of the system.

Damping width of giant dipole resonances of cold and hot nuclei: A macroscopic model

International Nuclear Information System (INIS)

Mughabghab, S.F.; Sonzogni, A.A.

2002-01-01

A phenomenological macroscopic model of the giant dipole resonance (GDR) damping width of cold and hot nuclei with ground-state spherical and near-spherical shapes is developed. The model is based on a generalized Fermi liquid model which takes into account the nuclear surface dynamics. The temperature dependence of the GDR damping width is accounted for in terms of surface and volume components. Parameter-free expressions for the damping width and the effective deformation are obtained. The model is validated with GDR measurements of the following nuclides: 39,40 K, 42 Ca, 45 Sc, 59,63 Cu, 109-120 Sn, 147 Eu, 194 Hg, and 208 Pb, and is compared with the predictions of other models

Statistical modeling of the reactions Fe(+) + N2O → FeO(+) + N2 and FeO(+) + CO → Fe(+) + CO2.

Science.gov (United States)

Ushakov, Vladimir G; Troe, Jürgen; Johnson, Ryan S; Guo, Hua; Ard, Shaun G; Melko, Joshua J; Shuman, Nicholas S; Viggiano, Albert A

2015-08-14

The rates of the reactions Fe(+) + N2O → FeO(+) + N2 and FeO(+) + CO → Fe(+) + CO2 are modeled by statistical rate theory accounting for energy- and angular momentum-specific rate constants for formation of the primary and secondary cationic adducts and their backward and forward reactions. The reactions are both suggested to proceed on sextet and quartet potential energy surfaces with efficient, but probably not complete, equilibration by spin-inversion of the populations of the sextet and quartet adducts. The influence of spin-inversion on the overall reaction rate is investigated. The differences of the two reaction rates mostly are due to different numbers of entrance states (atom + linear rotor or linear rotor + linear rotor, respectively). The reaction Fe(+) + N2O was studied either with (6)Fe(+) or with (4)Fe(+) reactants. Differences in the rate constants of (6)Fe(+) and (4)Fe(+) reacting with N2O are attributed to different contributions from electronically excited potential energy surfaces, such as they originate from the open-electronic shell reactants.

Total Strain FE Model for Reinforced Concrete Floors on Piles

NARCIS (Netherlands)

Hofmeyer, H.; Bos, van den A.A.

2008-01-01

A finite element (FE) model using a total strain material model has been developed to predict the behavior of warehouse reinforced concrete floors on piles. The material model (not the FE model itself) was calibrated to material tests. The FE model for the floor structure was checked with full-scale

Macroscopic damping model for zero degree energy distribution in ultra-relativistic heavy ion collisions

International Nuclear Information System (INIS)

Gao Chongshou; Wang Chengshing

1993-01-01

A macroscopic damping model is proposed to calculate the zero degree energy distribution in ultra-relativistic heavy ion collisions. The main features of the measured distributions are reproduced, good agreement is obtained in the middle energy region while overestimation results on the high energy side. The average energy loss coefficient of incident nucleons, varying in the reasonable region 0.2-0.6, depends on beam energy and target size

Degradation of 3,3'-iminobis-propanenitrile in aqueous solution by Fe(0)/GAC micro-electrolysis system.

Science.gov (United States)

Lai, Bo; Zhou, Yuexi; Yang, Ping; Yang, Jinghui; Wang, Juling

2013-01-01

The degradation of 3,3'-iminobis-propanenitrile was investigated using the Fe(0)/GAC micro-electrolysis system. Effects of influent pH value, Fe(0)/GAC ratio and granular activated carbon (GAC) adsorption on the removal efficiency of the pollutant were studied in the Fe(0)/GAC micro-electrolysis system. The degradation of 3,3'-iminobis-propanenitrile was affected by influent pH, and a decrease of the influent pH values from 8.0 to 4.0 led to the increase of degradation efficiency. Granular activated carbon was added as cathode to form macroscopic galvanic cells between Fe(0) and GAC and enhance the current efficiency of the Fe(0)/GAC micro-electrolysis system. The GAC could only adsorb the pollutant and provide buffer capacity for the Fe(0)/GAC micro-electrolysis system, and the macroscopic galvanic cells of the Fe(0)/GAC micro-electrolysis system played a leading role in degradation of 3,3'-iminobis-propanenitrile. With the analysis of the degradation products with GC-MS, possible reaction pathway for the degradation of 3,3'-iminobis-propanenitrile by the Fe(0)/GAC micro-electrolysis system was suggested. Copyright © 2012 Elsevier Ltd. All rights reserved.

Magnetic behavior of PdFeMn on mesoscopic and macroscopic length scales

Energy Technology Data Exchange (ETDEWEB)

Wagner, V. E-mail: volker.wagner@ptb.de; Ahlers, H.; Axelrod, L.; Gordeev, G.; Zabenkin, V

2001-05-01

By 3D neutron depolarization (ND) the magnetization and the domain structure were observed for FC and ZFC samples of (Pd{sub 0.9965}Fe{sub 0.0035}){sub 1-x} Mn{sub x} with x=0.05, showing both an FM and a spin-glass-like transition, and x=0 being ferromagnetic. The evolution of the domain structure along the magnetization/demagnetization process - as seen by depolarization - is strongly asymmetric, with maximum change in the domain structure only after magnetization reversal (typical domain size {delta}{approx}3 {mu}m in the virgin state). Near T{sub c}, the alloy approached the behavior of FM PdFe, showing a symmetric change of domain structure on the applied field.

Thermal activation and macroscopic quantum tunneling in a DC SQUID

International Nuclear Information System (INIS)

Sharifi, F.; Gavilano, J.L.; VanHarlingen, D.J.

1989-01-01

The authors report measurements of the transition rate from metastable minima in the two-dimensional 1 of a dc SQUID as a function of applied flux temperature. The authors observe a crossover from energy-activated escape to macroscopic quantum tunneling at a critical temperature. The macroscopic quantum tunneling rate is substantially reduced by damping, and also broadens the crossover region. Most interestingly, the authors observe thermal rates that are suppressed from those predicted by the two-dimensional thermal activation model. The authors discuss possible explanations for this based on the interaction of the macroscopic degree of freedom in the device and energy level effects

Macroscopic Dynamic Modeling of Sequential Batch Cultures of Hybridoma Cells: An Experimental Validation

Directory of Open Access Journals (Sweden)

Laurent Dewasme

2017-02-01

Full Text Available Hybridoma cells are commonly grown for the production of monoclonal antibodies (MAb. For monitoring and control purposes of the bioreactors, dynamic models of the cultures are required. However these models are difficult to infer from the usually limited amount of available experimental data and do not focus on target protein production optimization. This paper explores an experimental case study where hybridoma cells are grown in a sequential batch reactor. The simplest macroscopic reaction scheme translating the data is first derived using a maximum likelihood principal component analysis. Subsequently, nonlinear least-squares estimation is used to determine the kinetic laws. The resulting dynamic model reproduces quite satisfactorily the experimental data, as evidenced in direct and cross-validation tests. Furthermore, model predictions can also be used to predict optimal medium renewal time and composition.

Quantum equilibria for macroscopic systems

International Nuclear Information System (INIS)

Grib, A; Khrennikov, A; Parfionov, G; Starkov, K

2006-01-01

Nash equilibria are found for some quantum games with particles with spin-1/2 for which two spin projections on different directions in space are measured. Examples of macroscopic games with the same equilibria are given. Mixed strategies for participants of these games are calculated using probability amplitudes according to the rules of quantum mechanics in spite of the macroscopic nature of the game and absence of Planck's constant. A possible role of quantum logical lattices for the existence of macroscopic quantum equilibria is discussed. Some examples for spin-1 cases are also considered

Microscopic and macroscopic bell inequalities

International Nuclear Information System (INIS)

Santos, E.

1984-01-01

The Bell inequalities, being derived for micro-systems, cannot be tested by (macroscopic) experiments without additional assumptions. A macroscopic definition of local realism is proposed which might be the starting point for deriving Bell inequalities testable without auxiliary assumptions. (orig.)

Bimodality in macroscopic dynamics of nuclear fission

International Nuclear Information System (INIS)

Bastrukov, S.I.; Salamatin, V.S.; Strteltsova, O.I.; Molodtsova, I.V.; Podgainy, D.V.; )

2000-01-01

The elastodynamic collective model of nuclear fission is outlined whose underlying idea is that the stiff structure of nuclear shells imparts to nucleus properties typical of a small piece of an elastic solid. Emphasis is placed on the macroscopic dynamics of nuclear deformations resulting in fission by two energetically different modes. The low-energy S-mode is the fission due to disruption of elongated quadrupole spheroidal shape. The characteristic features of the high-energy T-mode of division by means of torsional shear deformations is the compact scission configuration. Analytic and numerical estimates for the macroscopic fission-barrier heights are presented, followed by discussion of fingerprints of the above dynamical bimodality in the available data [ru

Modeling thermodynamics of Fe-N phases; characterisation of e-Fe2N1-z

DEFF Research Database (Denmark)

Pekelharing, M.I.; Böttger, A.; Somers, Marcel A.J.

1999-01-01

In order to arrive at modeling the thermodynamics of Fe-N phases, including long-range (LRO) and short-range ordering (SRO) of the N atoms, it is important to understand the role of N interstitially dissolved in an Fe-host lattice. The crystal structure of -Fe2N1-z consists of an h.c.p. iron...... sublattice and a hexagonal nitrogen sublattice formed by octahedral interstices of the Fe sublattice [1]. Two ground-state structures have been proposed for the ordered arrangement of the N atoms on their own sublattice [1], which were shown to be thermodynamically favourable [2]: configuration A for Fe2N1...... investigated with X-ray diffraction (XRD) and Mössbauer spectroscopy. A thermodynamic model accounting for the two configurations of LRO of the N atoms [2,3] was fitted to the N-absorption isotherm at 723 K and resulted in the occupancies of the sites of the nitrogen sublattice. A miscibility gap between...

Quantum equilibria for macroscopic systems

Energy Technology Data Exchange (ETDEWEB)

Grib, A [Department of Theoretical Physics and Astronomy, Russian State Pedagogical University, St. Petersburg (Russian Federation); Khrennikov, A [Centre for Mathematical Modelling in Physics and Cognitive Sciences Vaexjoe University (Sweden); Parfionov, G [Department of Mathematics, St. Petersburg State University of Economics and Finances (Russian Federation); Starkov, K [Department of Mathematics, St. Petersburg State University of Economics and Finances (Russian Federation)

2006-06-30

Nash equilibria are found for some quantum games with particles with spin-1/2 for which two spin projections on different directions in space are measured. Examples of macroscopic games with the same equilibria are given. Mixed strategies for participants of these games are calculated using probability amplitudes according to the rules of quantum mechanics in spite of the macroscopic nature of the game and absence of Planck's constant. A possible role of quantum logical lattices for the existence of macroscopic quantum equilibria is discussed. Some examples for spin-1 cases are also considered.

A macroscopic constitutive model of temperature-induced phase transition of polycrystalline Ni2MnGa by directional solidification

International Nuclear Information System (INIS)

Zhu, Yuping; Gu, Yunling; Liu, Hongguang

2015-01-01

Directional solidification technology has been widely used to improve the properties of polycrystalline Ni 2 MnGa materials. Mechanical training can adjust the internal organizational structures of the materials, reduce the stress of twin boundaries motion, and then result in larger strain at lower outfield levels. In this paper, we test the microscopic structure of Ni 2 MnGa polycrystalline ferromagnetic shape memory alloy produced by directional solidification and compress it along two axes successively for mechanical training. The influences of pre-compressive stresses on the temperature-induced strains are analyzed. The macroscopic mechanical behaviors show anisotropy. According to the generating mechanism of the macroscopic strain, a three-dimensional constitutive model is established. Based on thermodynamic method, the kinetic equations of the martensitic transformation and inverse transformation are presented considering the driving force and energy dissipation. The prediction curves of temperature-induce strains along two different directions are investigated. And the results coincide well with the experiment data. It well explains the macroscopic anisotropy mechanical behaviors and fits for using in engineering

Intense nonneutral beam propagation in a periodic solenoidal field using a macroscopic fluid model with zero thermal emittance

International Nuclear Information System (INIS)

Davidson, R.C.; Stoltz, P.; Chen, C.

1997-08-01

A macroscopic fluid model is developed to describe the nonlinear dynamics and collective processes in an intense high-current beam propagating in the z-direction through a periodic focusing solenoidal field B z (z + S) = B z (z), where S is the axial periodicity length. The analysis assumes that space-charge effects dominate the effects of thermal beam emittance, Kr b 2 much-gt ε th 2 , and is based on the macroscopic moment-Maxwell equations, truncated by neglecting the pressure tensor and higher-order moments. Assuming a thin beam with r b much-lt S, azimuthally symmetric beam equilibria with ∂/∂t = 0 = ∂/∂θ are investigated. To illustrate the considerable flexibility of the macroscopic formalism, assuming (nearly) uniform axial flow velocity V b over the beam cross section, beam equilibrium properties are calculated for two examples: (a) uniform radial density profile over the interval 0 ≤ r b (z), and (b) an infinitesimally thin annular beam centered at r = r b (z). The analysis generally allows for the azimuthal flow velocity V θb (r,z) to differ from the Larmor frequency, and the model is used to calculate the (leading-order) correction δV zb (r,z) to the axial flow velocity for the step-function density profile in case (a) above

Averaging problem in general relativity, macroscopic gravity and using Einstein's equations in cosmology.

Science.gov (United States)

Zalaletdinov, R. M.

1998-04-01

The averaging problem in general relativity is briefly discussed. A new setting of the problem as that of macroscopic description of gravitation is proposed. A covariant space-time averaging procedure is described. The structure of the geometry of macroscopic space-time, which follows from averaging Cartan's structure equations, is described and the correlation tensors present in the theory are discussed. The macroscopic field equations (averaged Einstein's equations) derived in the framework of the approach are presented and their structure is analysed. The correspondence principle for macroscopic gravity is formulated and a definition of the stress-energy tensor for the macroscopic gravitational field is proposed. It is shown that the physical meaning of using Einstein's equations with a hydrodynamic stress-energy tensor in looking for cosmological models means neglecting all gravitational field correlations. The system of macroscopic gravity equations to be solved when the correlations are taken into consideration is given and described.

Capturing microscopic features of bone remodeling into a macroscopic model based on biological rationales of bone adaptation.

Science.gov (United States)

Kim, Young Kwan; Kameo, Yoshitaka; Tanaka, Sakae; Adachi, Taiji

2017-10-01

To understand Wolff's law, bone adaptation by remodeling at the cellular and tissue levels has been discussed extensively through experimental and simulation studies. For the clinical application of a bone remodeling simulation, it is significant to establish a macroscopic model that incorporates clarified microscopic mechanisms. In this study, we proposed novel macroscopic models based on the microscopic mechanism of osteocytic mechanosensing, in which the flow of fluid in the lacuno-canalicular porosity generated by fluid pressure gradients plays an important role, and theoretically evaluated the proposed models, taking biological rationales of bone adaptation into account. The proposed models were categorized into two groups according to whether the remodeling equilibrium state was defined globally or locally, i.e., the global or local uniformity models. Each remodeling stimulus in the proposed models was quantitatively evaluated through image-based finite element analyses of a swine cancellous bone, according to two introduced criteria associated with the trabecular volume and orientation at remodeling equilibrium based on biological rationales. The evaluation suggested that nonuniformity of the mean stress gradient in the local uniformity model, one of the proposed stimuli, has high validity. Furthermore, the adaptive potential of each stimulus was discussed based on spatial distribution of a remodeling stimulus on the trabecular surface. The theoretical consideration of a remodeling stimulus based on biological rationales of bone adaptation would contribute to the establishment of a clinically applicable and reliable simulation model of bone remodeling.

NUMERICAL DERIVATIONS OF A MACROSCOPIC MODEL FOR REINFORCED CONCRETE WALLS CONSIDERING IN-PLANE AND OUT-OF-PLANE BEHAVIOR

OpenAIRE

LATCHAROTE; Panon KAI, Yoshiro

2015-01-01

A macroscopic model, macro plate model, was proposed to represent a wall member of RC walls. Both in-plane and out-of-plane behavior were considered for numerical derivations of macro plate model. For out-of-plane behavior, bending deformation was incorporated with shear deformation to consider out-of-plane deformation as same as in-plane behavior. The hysteretic behavior of macro plate model can be directly expressed by stress-strain relationships in any conventional hysteretic rules, which ...

Process Analytical Technology for Advanced Process Control in Biologics Manufacturing with the Aid of Macroscopic Kinetic Modeling

Directory of Open Access Journals (Sweden)

Martin Kornecki

2018-03-01

Full Text Available Productivity improvements of mammalian cell culture in the production of recombinant proteins have been made by optimizing cell lines, media, and process operation. This led to enhanced titers and process robustness without increasing the cost of the upstream processing (USP; however, a downstream bottleneck remains. In terms of process control improvement, the process analytical technology (PAT initiative, initiated by the American Food and Drug Administration (FDA, aims to measure, analyze, monitor, and ultimately control all important attributes of a bioprocess. Especially, spectroscopic methods such as Raman or near-infrared spectroscopy enable one to meet these analytical requirements, preferably in-situ. In combination with chemometric techniques like partial least square (PLS or principal component analysis (PCA, it is possible to generate soft sensors, which estimate process variables based on process and measurement models for the enhanced control of bioprocesses. Macroscopic kinetic models can be used to simulate cell metabolism. These models are able to enhance the process understanding by predicting the dynamic of cells during cultivation. In this article, in-situ turbidity (transmission, 880 nm and ex-situ Raman spectroscopy (785 nm measurements are combined with an offline macroscopic Monod kinetic model in order to predict substrate concentrations. Experimental data of Chinese hamster ovary cultivations in bioreactors show a sufficiently linear correlation (R2 ≥ 0.97 between turbidity and total cell concentration. PLS regression of Raman spectra generates a prediction model, which was validated via offline viable cell concentration measurement (RMSE ≤ 13.82, R2 ≥ 0.92. Based on these measurements, the macroscopic Monod model can be used to determine different process attributes, e.g., glucose concentration. In consequence, it is possible to approximately calculate (R2 ≥ 0.96 glucose concentration based on online cell

Process Analytical Technology for Advanced Process Control in Biologics Manufacturing with the Aid of Macroscopic Kinetic Modeling.

Science.gov (United States)

Kornecki, Martin; Strube, Jochen

2018-03-16

Productivity improvements of mammalian cell culture in the production of recombinant proteins have been made by optimizing cell lines, media, and process operation. This led to enhanced titers and process robustness without increasing the cost of the upstream processing (USP); however, a downstream bottleneck remains. In terms of process control improvement, the process analytical technology (PAT) initiative, initiated by the American Food and Drug Administration (FDA), aims to measure, analyze, monitor, and ultimately control all important attributes of a bioprocess. Especially, spectroscopic methods such as Raman or near-infrared spectroscopy enable one to meet these analytical requirements, preferably in-situ. In combination with chemometric techniques like partial least square (PLS) or principal component analysis (PCA), it is possible to generate soft sensors, which estimate process variables based on process and measurement models for the enhanced control of bioprocesses. Macroscopic kinetic models can be used to simulate cell metabolism. These models are able to enhance the process understanding by predicting the dynamic of cells during cultivation. In this article, in-situ turbidity (transmission, 880 nm) and ex-situ Raman spectroscopy (785 nm) measurements are combined with an offline macroscopic Monod kinetic model in order to predict substrate concentrations. Experimental data of Chinese hamster ovary cultivations in bioreactors show a sufficiently linear correlation (R² ≥ 0.97) between turbidity and total cell concentration. PLS regression of Raman spectra generates a prediction model, which was validated via offline viable cell concentration measurement (RMSE ≤ 13.82, R² ≥ 0.92). Based on these measurements, the macroscopic Monod model can be used to determine different process attributes, e.g., glucose concentration. In consequence, it is possible to approximately calculate (R² ≥ 0.96) glucose concentration based on online cell

Carbonate-mediated Fe(II) oxidation in the air-cathode fuel cell: a kinetic model in terms of Fe(II) speciation.

Science.gov (United States)

Song, Wei; Zhai, Lin-Feng; Cui, Yu-Zhi; Sun, Min; Jiang, Yuan

2013-06-06

Due to the high redox activity of Fe(II) and its abundance in natural waters, the electro-oxidation of Fe(II) can be found in many air-cathode fuel cell systems, such as acid mine drainage fuel cells and sediment microbial fuel cells. To deeply understand these iron-related systems, it is essential to elucidate the kinetics and mechanisms involved in the electro-oxidation of Fe(II). This work aims to develop a kinetic model that adequately describes the electro-oxidation process of Fe(II) in air-cathode fuel cells. The speciation of Fe(II) is incorporated into the model, and contributions of individual Fe(II) species to the overall Fe(II) oxidation rate are quantitatively evaluated. The results show that the kinetic model can accurately predict the electro-oxidation rate of Fe(II) in air-cathode fuel cells. FeCO3, Fe(OH)2, and Fe(CO3)2(2-) are the most important species determining the electro-oxidation kinetics of Fe(II). The Fe(II) oxidation rate is primarily controlled by the oxidation of FeCO3 species at low pH, whereas at high pH Fe(OH)2 and Fe(CO3)2(2-) are the dominant species. Solution pH, carbonate concentration, and solution salinity are able to influence the electro-oxidation kinetics of Fe(II) through changing both distribution and kinetic activity of Fe(II) species.

Stochastic and Macroscopic Thermodynamics of Strongly Coupled Systems

Directory of Open Access Journals (Sweden)

Christopher Jarzynski

2017-01-01

Full Text Available We develop a thermodynamic framework that describes a classical system of interest S that is strongly coupled to its thermal environment E. Within this framework, seven key thermodynamic quantities—internal energy, entropy, volume, enthalpy, Gibbs free energy, heat, and work—are defined microscopically. These quantities obey thermodynamic relations including both the first and second law, and they satisfy nonequilibrium fluctuation theorems. We additionally impose a macroscopic consistency condition: When S is large, the quantities defined within our framework scale up to their macroscopic counterparts. By satisfying this condition, we demonstrate that a unifying framework can be developed, which encompasses both stochastic thermodynamics at one end, and macroscopic thermodynamics at the other. A central element in our approach is a thermodynamic definition of the volume of the system of interest, which converges to the usual geometric definition when S is large. We also sketch an alternative framework that satisfies the same consistency conditions. The dynamics of the system and environment are modeled using Hamilton’s equations in the full phase space.

Macroscopic reality and the dynamical reduction program

International Nuclear Information System (INIS)

Ghirardi, G.C.

1995-10-01

With reference to recently proposed theoretical models accounting for reduction in terms of a unified dynamics governing all physical processes, we analyze the problem of working out a worldview accommodating our knowledge about natural phenomena. We stress the relevant conceptual differences between the considered models and standard quantum mechanics. In spite of the fact that both theories describe individual physical systems within a genuine Hilbert space framework, the nice features of spontaneous reduction theories drastically limit the class of states which are dynamically stable. This allows one to work out a description of the world in terms of a mass density function in ordinary configuration space. A topology based on this function and differing radically from the one characterizing the Hilbert space is introduced and in terms of it the idea of similarity of macroscopic situations is made precise. Finally it is shown how the formalism and the proposed interpretation yield a natural criterion for establishing the psychophysical parallelism. The conclusion is that, within the considered theoretical models and at the nonrelativistic level, one can satisfy all sensible requirements for a consistent, unified, and objective description of reality at the macroscopic level. (author). 16 refs

Macroscopic reality and the dynamical reduction program

Energy Technology Data Exchange (ETDEWEB)

Ghirardi, G C

1995-10-01

With reference to recently proposed theoretical models accounting for reduction in terms of a unified dynamics governing all physical processes, we analyze the problem of working out a worldview accommodating our knowledge about natural phenomena. We stress the relevant conceptual differences between the considered models and standard quantum mechanics. In spite of the fact that both theories describe individual physical systems within a genuine Hilbert space framework, the nice features of spontaneous reduction theories drastically limit the class of states which are dynamically stable. This allows one to work out a description of the world in terms of a mass density function in ordinary configuration space. A topology based on this function and differing radically from the one characterizing the Hilbert space is introduced and in terms of it the idea of similarity of macroscopic situations is made precise. Finally it is shown how the formalism and the proposed interpretation yield a natural criterion for establishing the psychophysical parallelism. The conclusion is that, within the considered theoretical models and at the nonrelativistic level, one can satisfy all sensible requirements for a consistent, unified, and objective description of reality at the macroscopic level. (author). 16 refs.

Nuclear physics: Macroscopic aspects

International Nuclear Information System (INIS)

Swiatecki, W.J.

1993-12-01

A systematic macroscopic, leptodermous approach to nuclear statics and dynamics is described, based formally on the assumptions ℎ → 0 and b/R << 1, where b is the surface diffuseness and R the nuclear radius. The resulting static model of shell-corrected nuclear binding energies and deformabilities is accurate to better than 1 part in a thousand and yields a firm determination of the principal properties of the nuclear fluid. As regards dynamics, the above approach suggests that nuclear shape evolutions will often be dominated by dissipation, but quantitative comparisons with experimental data are more difficult than in the case of statics. In its simplest liquid drop version the model exhibits interesting formal connections to the classic astronomical problem of rotating gravitating masses

A macroscopic constitutive model of temperature-induced phase transition of polycrystalline Ni{sub 2}MnGa by directional solidification

Energy Technology Data Exchange (ETDEWEB)

Zhu, Yuping, E-mail: zhuyuping@126.com; Gu, Yunling; Liu, Hongguang

2015-02-25

Directional solidification technology has been widely used to improve the properties of polycrystalline Ni{sub 2}MnGa materials. Mechanical training can adjust the internal organizational structures of the materials, reduce the stress of twin boundaries motion, and then result in larger strain at lower outfield levels. In this paper, we test the microscopic structure of Ni{sub 2}MnGa polycrystalline ferromagnetic shape memory alloy produced by directional solidification and compress it along two axes successively for mechanical training. The influences of pre-compressive stresses on the temperature-induced strains are analyzed. The macroscopic mechanical behaviors show anisotropy. According to the generating mechanism of the macroscopic strain, a three-dimensional constitutive model is established. Based on thermodynamic method, the kinetic equations of the martensitic transformation and inverse transformation are presented considering the driving force and energy dissipation. The prediction curves of temperature-induce strains along two different directions are investigated. And the results coincide well with the experiment data. It well explains the macroscopic anisotropy mechanical behaviors and fits for using in engineering.

Multiscale Investigation on Biofilm Distribution and Its Impact on Macroscopic Biogeochemical Reaction Rates

Science.gov (United States)

Yan, Zhifeng; Liu, Chongxuan; Liu, Yuanyuan; Bailey, Vanessa L.

2017-11-01

Biofilms are critical locations for biogeochemical reactions in the subsurface environment. The occurrence and distribution of biofilms at microscale as well as their impacts on macroscopic biogeochemical reaction rates are still poorly understood. This paper investigated the formation and distributions of biofilms in heterogeneous sediments using multiscale models and evaluated the effects of biofilm heterogeneity on local and macroscopic biogeochemical reaction rates. Sediment pore structures derived from X-ray computed tomography were used to simulate the microscale flow dynamics and biofilm distribution in the sediment column. The response of biofilm formation and distribution to the variations in hydraulic and chemical properties was first examined. One representative biofilm distribution was then utilized to evaluate its effects on macroscopic reaction rates using nitrate reduction as an example. The results revealed that microorganisms primarily grew on the surfaces of grains and aggregates near preferential flow paths where both electron donor and acceptor were readily accessible, leading to the heterogeneous distribution of biofilms in the sediments. The heterogeneous biofilm distribution decreased the macroscopic rate of biogeochemical reactions as compared with those in homogeneous cases. Operationally considering the heterogeneous biofilm distribution in macroscopic reactive transport models such as using dual porosity domain concept can significantly improve the prediction of biogeochemical reaction rates. Overall, this study provided important insights into the biofilm formation and distribution in soils and sediments as well as their impacts on the macroscopic manifestation of reaction rates.

Macroscopic quantum phenomena from the large N perspective

International Nuclear Information System (INIS)

Chou, C H; Hu, B L; Subasi, Y

2011-01-01

Macroscopic quantum phenomena (MQP) is a relatively new research venue, with exciting ongoing experiments and bright prospects, yet with surprisingly little theoretical activity. What makes MQP intellectually stimulating is because it is counterpoised against the traditional view that macroscopic means classical. This simplistic and hitherto rarely challenged view need be scrutinized anew, perhaps with much of the conventional wisdoms repealed. In this series of papers we report on a systematic investigation into some key foundational issues of MQP, with the hope of constructing a viable theoretical framework for this new endeavour. The three major themes discussed in these three essays are the large N expansion, the correlation hierarchy and quantum entanglement for systems of 'large' sizes, with many components or degrees of freedom. In this paper we use different theories in a variety of contexts to examine the conditions or criteria whereby a macroscopic quantum system may take on classical attributes, and, more interestingly, that it keeps some of its quantum features. The theories we consider here are, the O(N) quantum mechanical model, semiclassical stochastic gravity and gauge / string theories; the contexts include that of a 'quantum roll' in inflationary cosmology, entropy generation in quantum Vlasov equation for plasmas, the leading order and next-to-leading order large N behaviour, and hydrodynamic / thermodynamic limits. The criteria for classicality in our consideration include the use of uncertainty relations, the correlation between classical canonical variables, randomization of quantum phase, environment-induced decoherence, decoherent history of hydrodynamic variables, etc. All this exercise is to ask only one simple question: Is it really so surprising that quantum features can appear in macroscopic objects? By examining different representative systems where detailed theoretical analysis has been carried out, we find that there is no a priori

State-space based analysis and forecasting of macroscopic road safety trends in Greece.

Science.gov (United States)

Antoniou, Constantinos; Yannis, George

2013-11-01

In this paper, macroscopic road safety trends in Greece are analyzed using state-space models and data for 52 years (1960-2011). Seemingly unrelated time series equations (SUTSE) models are developed first, followed by richer latent risk time-series (LRT) models. As reliable estimates of vehicle-kilometers are not available for Greece, the number of vehicles in circulation is used as a proxy to the exposure. Alternative considered models are presented and discussed, including diagnostics for the assessment of their model quality and recommendations for further enrichment of this model. Important interventions were incorporated in the models developed (1986 financial crisis, 1991 old-car exchange scheme, 1996 new road fatality definition) and found statistically significant. Furthermore, the forecasting results using data up to 2008 were compared with final actual data (2009-2011) indicating that the models perform properly, even in unusual situations, like the current strong financial crisis in Greece. Forecasting results up to 2020 are also presented and compared with the forecasts of a model that explicitly considers the currently on-going recession. Modeling the recession, and assuming that it will end by 2013, results in more reasonable estimates of risk and vehicle-kilometers for the 2020 horizon. This research demonstrates the benefits of using advanced state-space modeling techniques for modeling macroscopic road safety trends, such as allowing the explicit modeling of interventions. The challenges associated with the application of such state-of-the-art models for macroscopic phenomena, such as traffic fatalities in a region or country, are also highlighted. Furthermore, it is demonstrated that it is possible to apply such complex models using the relatively short time-series that are available in macroscopic road safety analysis. Copyright © 2013 Elsevier Ltd. All rights reserved.

Macroscopic Quantum States and Quantum Phase Transition in the Dicke Model

International Nuclear Information System (INIS)

Lian Jin-Ling; Zhang Yuan-Wei; Liang Jiu-Qing

2012-01-01

The energy spectrum of Dicke Hamiltonians with and without the rotating wave approximation for an arbitrary atom number is obtained analytically by means of the variational method, in which the effective pseudo-spin Hamiltonian resulting from the expectation value in the boson-field coherent state is diagonalized by the spin-coherent-state transformation. In addition to the ground-state energy, an excited macroscopic quantum-state is found corresponding to the south- and north-pole gauges of the spin-coherent states, respectively. Our results of ground-state energies in exact agreement with various approaches show that these models exhibit a zero-temperature quantum phase transition of the second order for any number of atoms, which was commonly considered as a phenomenon of the thermodynamic limit with the atom number tending to infinity. The critical behavior of the geometric phase is analyzed. (general)

Estimating minimum polycrystalline aggregate size for macroscopic material homogeneity

International Nuclear Information System (INIS)

Kovac, M.; Simonovski, I.; Cizelj, L.

2002-01-01

During severe accidents the pressure boundary of reactor coolant system can be subjected to extreme loadings, which might cause failure. Reliable estimation of the extreme deformations can be crucial to determine the consequences of severe accidents. Important drawback of classical continuum mechanics is idealization of inhomogenous microstructure of materials. Classical continuum mechanics therefore cannot predict accurately the differences between measured responses of specimens, which are different in size but geometrical similar (size effect). A numerical approach, which models elastic-plastic behavior on mesoscopic level, is proposed to estimate minimum size of polycrystalline aggregate above which it can be considered macroscopically homogeneous. The main idea is to divide continuum into a set of sub-continua. Analysis of macroscopic element is divided into modeling the random grain structure (using Voronoi tessellation and random orientation of crystal lattice) and calculation of strain/stress field. Finite element method is used to obtain numerical solutions of strain and stress fields. The analysis is limited to 2D models.(author)

Ab Initio Modeling Of Friction Reducing Agents Shows Quantum Mechanical Interactions Can Have Macroscopic Manifestation.

Science.gov (United States)

Hernández Velázquez, J D; Barroso-Flores, J; Gama Goicochea, A

2016-11-23

Two of the most commonly encountered friction-reducing agents used in plastic sheet production are the amides known as erucamide and behenamide, which despite being almost identical chemically, lead to markedly different values of the friction coefficient. To understand the origin of this contrasting behavior, in this work we model brushes made of these two types of linear-chain molecules using quantum mechanical numerical simulations under the density functional theory at the B97D/6-31G(d,p) level of theory. Four chains of erucamide and behenamide were linked to a 2 × 10 zigzag graphene sheet and optimized both in vacuum and in continuous solvent using the SMD implicit solvation model. We find that erucamide chains tend to remain closer together through π-π stacking interactions arising from the double bonds located at C13-C14, a feature behenamide lacks, and thus a more spread configuration is obtained with the latter. It is argued that this arrangement of the erucamide chains is responsible for the lower friction coefficient of erucamide brushes, compared with behenamide brushes, which is a macroscopic consequence of cooperative quantum mechanical interactions. While only quantum level interactions are modeled here, we show that behenamide chains are more spread out in the brush than erucamide chains as a consequence of those interactions. The spread-out configuration allows more solvent particles to penetrate the brush, leading in turn to more friction, in agreement with macroscopic measurements and mesoscale simulations of the friction coefficient reported in the literature.

Effect of film roughness in Fe/MgO/Fe magnetic tunnel junctions: model calculations

Energy Technology Data Exchange (ETDEWEB)

Edalati Boostan, Saeideh; Heiliger, Christian [I. Physikalisches Institut, Justus Liebig University Giessen, D-35392 (Germany); Moradi, Hosein [Department of Physics,Faculty of Sciences, Ferdowsi University of Mashhad, Mashhad (Iran, Islamic Republic of)

2011-07-01

We calculate how interface roughness affects the tunneling magnetoresistance (TMR) in Fe/MgO/Fe (100) junctions. The used method is based on a single-band tight-binding (SBTB) approximation employing the Green's function formalism. We investigate the influence of disorder at the TMR ratio. Thereby, the disorder is modeled by considering different occupation probabilities of Fe and MgO at interface sites. We calculate the current densities for parallel and anti-parallel configurations for different disorders. The results show that the roughness decreases the TMR that match well with experimental observations.

Macroscopic High-Temperature Structural Analysis Model of Small-Scale PCHE Prototype (II)

International Nuclear Information System (INIS)

Song, Kee Nam; Lee, Heong Yeon; Hong, Sung Deok; Park, Hong Yoon

2011-01-01

The IHX (intermediate heat exchanger) of a VHTR (very high-temperature reactor) is a core component that transfers the high heat generated by the VHTR at 950 .deg. C to a hydrogen production plant. Korea Atomic Energy Research Institute manufactured a small-scale prototype of a PCHE (printed circuit heat exchanger) that was being considered as a candidate for the IHX. In this study, as a part of high-temperature structural integrity evaluation of the small-scale PCHE prototype, we carried out high-temperature structural analysis modeling and macroscopic thermal and elastic structural analysis for the small-scale PCHE prototype under small-scale gas-loop test conditions. The modeling and analysis were performed as a precedent study prior to the performance test in the small-scale gas loop. The results obtained in this study will be compared with the test results for the small-scale PCHE. Moreover, these results will be used in the design of a medium-scale PCHE prototype

From Microscopic to Macroscopic Descriptions of Cell Migration on Growing Domains

KAUST Repository

Baker, Ruth E.

2009-10-28

Cell migration and growth are essential components of the development of multicellular organisms. The role of various cues in directing cell migration is widespread, in particular, the role of signals in the environment in the control of cell motility and directional guidance. In many cases, especially in developmental biology, growth of the domain also plays a large role in the distribution of cells and, in some cases, cell or signal distribution may actually drive domain growth. There is an almost ubiquitous use of partial differential equations (PDEs) for modelling the time evolution of cellular density and environmental cues. In the last 20 years, a lot of attention has been devoted to connecting macroscopic PDEs with more detailed microscopic models of cellular motility, including models of directional sensing and signal transduction pathways. However, domain growth is largely omitted in the literature. In this paper, individual-based models describing cell movement and domain growth are studied, and correspondence with a macroscopic-level PDE describing the evolution of cell density is demonstrated. The individual-based models are formulated in terms of random walkers on a lattice. Domain growth provides an extra mathematical challenge by making the lattice size variable over time. A reaction-diffusion master equation formalism is generalised to the case of growing lattices and used in the derivation of the macroscopic PDEs. © 2009 Society for Mathematical Biology.

Macroscopic Model and Simulation Analysis of Air Traffic Flow in Airport Terminal Area

Directory of Open Access Journals (Sweden)

Honghai Zhang

2014-01-01

Full Text Available We focus on the spatiotemporal characteristics and their evolvement law of the air traffic flow in airport terminal area to provide scientific basis for optimizing flight control processes and alleviating severe air traffic conditions. Methods in this work combine mathematical derivation and simulation analysis. Based on cell transmission model the macroscopic models of arrival and departure air traffic flow in terminal area are established. Meanwhile, the interrelationship and influential factors of the three characteristic parameters as traffic flux, density, and velocity are presented. Then according to such models, the macro emergence of traffic flow evolution is emulated with the NetLogo simulation platform, and the correlativity of basic traffic flow parameters is deduced and verified by means of sensitivity analysis. The results suggest that there are remarkable relations among the three characteristic parameters of the air traffic flow in terminal area. Moreover, such relationships evolve distinctly with the flight procedures, control separations, and ATC strategies.

Thermodynamic modeling of the Co-Fe-O system

DEFF Research Database (Denmark)

Zhang, Weiwei; Chen, Ming

2013-01-01

As a part of the research project aimed at developing a thermodynamic database of the La-Sr-Co-Fe-O system for applications in Solid Oxide Fuel Cells (SOFCs), the Co-Fe-O subsystem was thermodynamically re-modeled in the present work using the CALPHAD methodology. The solid phases were described...... using the Compound Energy Formalism (CEF) and the ionized liquid was modeled with the ionic two-sublattice model based on CEF. A set of self-consistent thermodynamic parameters was obtained eventually. Calculated phase diagrams and thermodynamic properties are presented and compared with experimental...

A multiscale and multiphysics numerical framework for modelling of hygrothermal ageing in laminated composites

NARCIS (Netherlands)

Barcelos Carneiro M Rocha, Iuri; van der Meer, F.P.; Nijssen, RPL; Sluijs, Bert

2017-01-01

In this work, a numerical framework for modelling of hygrothermal ageing in laminated composites is proposed. The model consists of a macroscopic diffusion analysis based on Fick's second law coupled with a multiscale FE² stress analysis in order to take microscopic degradation

Modeling Fe II Emission and Revised Fe II (UV) Empirical Templates for the Seyfert 1 Galaxy I Zw 1

Science.gov (United States)

Bruhweiler, F.; Verner, E.

2008-03-01

We use the narrow-lined broad-line region (BLR) of the Seyfert 1 galaxy, I Zw 1, as a laboratory for modeling the ultraviolet (UV) Fe II 2100-3050 Å emission complex. We calculate a grid of Fe II emission spectra representative of BLR clouds and compare them with the observed I Zw 1 spectrum. Our predicted spectrum for log [nH/(cm -3) ] = 11.0, log [ΦH/(cm -2 s-1) ] = 20.5, and ξ/(1 km s-1) = 20, using Cloudy and an 830 level model atom for Fe II with energies up to 14.06 eV, gives a better fit to the UV Fe II emission than models with fewer levels. Our analysis indicates (1) the observed UV Fe II emission must be corrected for an underlying Fe II pseudocontinuum; (2) Fe II emission peaks can be misidentified as that of other ions in active galactic nuclei (AGNs) with narrow-lined BLRs possibly affecting deduced physical parameters; (3) the shape of 4200-4700 Å Fe II emission in I Zw 1 and other AGNs is a relative indicator of narrow-line region (NLR) and BLR Fe II emission; (4) predicted ratios of Lyα, C III], and Fe II emission relative to Mg II λ2800 agree with extinction corrected observed I Zw 1 fluxes, except for C IV λ1549 (5) the sensitivity of Fe II emission strength to microturbulence ξ casts doubt on existing relative Fe/Mg abundances derived from Fe II (UV)/Mg II flux ratios. Our calculated Fe II emission spectra, suitable for BLRs in AGNs, are available at http://iacs.cua.edu/people/verner/FeII. Based on observations made with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 05-26555.

Interpretation of macroscopic quantum phenomena

International Nuclear Information System (INIS)

Baumann, K.

1986-01-01

It is argued that a quantum theory without observer is required for the interpretation of macroscopic quantum tunnelling. Such a theory is obtained by augmenting QED by the actual electric field in the rest system of the universe. An equation of the motion of this field is formulated form which the correct macroscopic behavior of the universe and the validity of the Born interpretation is derived. Care is taken to use mathematically sound concepts only. (Author)

Macroscopic theory of superconductors

International Nuclear Information System (INIS)

Carr, W.J. Jr.

1981-01-01

A macroscopic theory for bulk superconductors is developed in the framework of the theory for other magnetic materials, where ''magnetization'' current is separated from ''free'' current on the basis of scale. This contrasts with the usual separation into equilibrium and nonequilibrium currents. In the present approach magnetization, on a large macroscopic scale, results from the vortex current, while the Meissner current and other surface currents are surface contributions to the Maxwell j. The results are important for the development of thermodynamics in type-II superconductors. The advantage of the description developed here is that magnetization becomes a local concept and its associated magnetic field can be given physical meaning

Macroscopic acoustoelectric charge transport in graphene

Science.gov (United States)

Bandhu, L.; Lawton, L. M.; Nash, G. R.

2013-09-01

We demonstrate macroscopic acoustoelectric transport in graphene, transferred onto piezoelectric lithium niobate substrates, between electrodes up to 500 μm apart. Using double finger interdigital transducers we have characterised the acoustoelectric current as a function of both surface acoustic wave intensity and frequency. The results are consistent with a relatively simple classical relaxation model, in which the acoustoelectric current is proportional to both the surface acoustic wave intensity and the attenuation of the wave caused by the charge transport.

Structural relaxation of FeNiB amorphous alloy

International Nuclear Information System (INIS)

Arcondo, B.; Moya, J.; Audebert, F.; Sirkin, H.

1994-01-01

Young's modulus was measured in rapidly quenched ribbons of Fe 44 Ni 38 B 18 annealed at a rate of 5 K/min up to different temperatures. An oscillating behavior was observed. Samples annealed up to temperatures that correspond to maxima and minima values of Young's modulus were studied with Moessbauer spectroscopy in order to correlate the macroscopic parameter with the hyperfine field distribution. (orig.)

Investigation of representing hysteresis in macroscopic models of two-phase flow in porous media using intermediate scale experimental data

Science.gov (United States)

Cihan, Abdullah; Birkholzer, Jens; Trevisan, Luca; Gonzalez-Nicolas, Ana; Illangasekare, Tissa

2017-01-01

Incorporating hysteresis into models is important to accurately capture the two phase flow behavior when porous media systems undergo cycles of drainage and imbibition such as in the cases of injection and post-injection redistribution of CO2 during geological CO2 storage (GCS). In the traditional model of two-phase flow, existing constitutive models that parameterize the hysteresis associated with these processes are generally based on the empirical relationships. This manuscript presents development and testing of mathematical hysteretic capillary pressure—saturation—relative permeability models with the objective of more accurately representing the redistribution of the fluids after injection. The constitutive models are developed by relating macroscopic variables to basic physics of two-phase capillary displacements at pore-scale and void space distribution properties. The modeling approach with the developed constitutive models with and without hysteresis as input is tested against some intermediate-scale flow cell experiments to test the ability of the models to represent movement and capillary trapping of immiscible fluids under macroscopically homogeneous and heterogeneous conditions. The hysteretic two-phase flow model predicted the overall plume migration and distribution during and post injection reasonably well and represented the postinjection behavior of the plume more accurately than the nonhysteretic models. Based on the results in this study, neglecting hysteresis in the constitutive models of the traditional two-phase flow theory can seriously overpredict or underpredict the injected fluid distribution during post-injection under both homogeneous and heterogeneous conditions, depending on the selected value of the residual saturation in the nonhysteretic models.

Experimental demonstration of macroscopic quantum coherence in Gaussian states

DEFF Research Database (Denmark)

Marquardt, C.; Andersen, Ulrik Lund; Leuchs, G.

2007-01-01

We witness experimentally the presence of macroscopic coherence in Gaussian quantum states using a recently proposed criterion [E. G. Cavalcanti and M. D. Reid, Phys. Rev. Lett. 97 170405 (2006)]. The macroscopic coherence stems from interference between macroscopically distinct states in phase...

Macroscopic description of isoscalar giant multipole resonances

International Nuclear Information System (INIS)

Nix, J.R.; Sierk, A.J.

1980-01-01

On the basis of a simple macroscopic model, we calculate the isoscalar giant-resonance energy as a function of mass number and multipole degree. The restoring force is determined from the distortion of the Fermi surface, and the inertia is determined for the incompressible, irrotational flow of nucleons with unit effective mass. With no adjustable parameters, the resulting closed expression reproduces correctly the available experimental data, namely the magnitude and dependence upon mass number of the giant quadrupole energy and the magnitude of the giant octupole energy for 208 Pb. We also calculate the isoscalar giant-resonance width as a function of mass number and multipole degree for various macroscopic damping mechanisms, including two-body viscosity, one-body dissipation, and modified one-body dissipation. None of these damping mechanisms reproduces correctly all features of the available experimental data, namely the magnitude and dependence upon mass number of the giant quadrupole width and the magnitude of the giant octupole width for 208 Pb

Macroscopic optical response and photonic bands

International Nuclear Information System (INIS)

Pérez-Huerta, J S; Luis Mochán, W; Ortiz, Guillermo P; Mendoza, Bernardo S

2013-01-01

We develop a formalism for the calculation of the macroscopic dielectric response of composite systems made of particles of one material embedded periodically within a matrix of another material, each of which is characterized by a well-defined dielectric function. The nature of these dielectric functions is arbitrary, and could correspond to dielectric or conducting, transparent or opaque, absorptive and dispersive materials. The geometry of the particles and the Bravais lattice of the composite are also arbitrary. Our formalism goes beyond the long-wavelength approximation as it fully incorporates retardation effects. We test our formalism through the study of the propagation of electromagnetic waves in two-dimensional photonic crystals made of periodic arrays of cylindrical holes in a dispersionless dielectric host. Our macroscopic theory yields a spatially dispersive macroscopic response which allows the calculation of the full photonic band structure of the system, as well as the characterization of its normal modes, upon substitution into the macroscopic field equations. We can also account approximately for the spatial dispersion through a local magnetic permeability and analyze the resulting dispersion relation, obtaining a region of left handedness. (paper)

An Improved Model for FE Modeling and Simulation of Closed Cell Al-Alloy Foams

OpenAIRE

Hasan, MD. Anwarul

2010-01-01

Cell wall material properties of Al-alloy foams have been derived by a combination of nanoindentation experiment and numerical simulation. Using the derived material properties in FE (finite element) modeling of foams, the existing constitutive models of closed-cell Al-alloy foams have been evaluated against experimental results. An improved representative model has been proposed for FE analysis of closed-cell Al-alloy foams. The improved model consists of a combination of spherical and cruci...

Estimation of Enthalpy of Formation of Liquid Transition Metal Alloys: A Modified Prescription Based on Macroscopic Atom Model of Cohesion

Science.gov (United States)

Raju, Subramanian; Saibaba, Saroja

2016-09-01

The enthalpy of formation Δo H f is an important thermodynamic quantity, which sheds significant light on fundamental cohesive and structural characteristics of an alloy. However, being a difficult one to determine accurately through experiments, simple estimation procedures are often desirable. In the present study, a modified prescription for estimating Δo H f L of liquid transition metal alloys is outlined, based on the Macroscopic Atom Model of cohesion. This prescription relies on self-consistent estimation of liquid-specific model parameters, namely electronegativity ( ϕ L) and bonding electron density ( n b L ). Such unique identification is made through the use of well-established relationships connecting surface tension, compressibility, and molar volume of a metallic liquid with bonding charge density. The electronegativity is obtained through a consistent linear scaling procedure. The preliminary set of values for ϕ L and n b L , together with other auxiliary model parameters, is subsequently optimized to obtain a good numerical agreement between calculated and experimental values of Δo H f L for sixty liquid transition metal alloys. It is found that, with few exceptions, the use of liquid-specific model parameters in Macroscopic Atom Model yields a physically consistent methodology for reliable estimation of mixing enthalpies of liquid alloys.

Study of n-Butyl Acrylate Self-Initiation Reaction Experimentally and via Macroscopic Mechanistic Modeling

Directory of Open Access Journals (Sweden)

Ahmad Arabi Shamsabadi

2016-04-01

Full Text Available This paper presents an experimental study of the self-initiation reaction of n-butyl acrylate (n-BA in free-radical polymerization. For the first time, the frequency factor and activation energy of the monomer self-initiation reaction are estimated from measurements of n-BA conversion in free-radical homo-polymerization initiated only by the monomer. The estimation was carried out using a macroscopic mechanistic mathematical model of the reactor. In addition to already-known reactions that contribute to the polymerization, the model considers a n-BA self-initiation reaction mechanism that is based on our previous electronic-level first-principles theoretical study of the self-initiation reaction. Reaction rate equations are derived using the method of moments. The reaction-rate parameter estimates obtained from conversion measurements agree well with estimates obtained via our purely-theoretical quantum chemical calculations.

Removal of FePO4 and Fe3(PO4)2 crystals on the surface of passive fillers in Fe0/GAC reactor using the acclimated bacteria

International Nuclear Information System (INIS)

Lai, Bo; Zhou, Yuexi; Yang, Ping; Wang, Juling; Yang, Jinghui; Li, Huiqiang

2012-01-01

Highlights: ► Fe 3 (PO 4 ) 2 and FePO 4 crystals would weaken treatment efficiency of Fe 0 /GAC reactor. ► Fe 3 (PO 4 ) 2 and FePO 4 crystals could be removed by the acclimated bacteria. ► FeS and sulfur in the passive film would be removed by the sulfur-oxidizing bacteria. ► Develop a cost-effective bio-regeneration technology for the passive fillers. - Abstract: As past studies presented, there is obvious defect that the fillers in the Fe 0 /GAC reactor begin to be passive after about 60 d continuous running, although the complicated, toxic and refractory ABS resin wastewater can be pretreated efficiently by the Fe 0 /GAC reactor. During the process, the Fe 3 (PO 4 ) 2 and FePO 4 crystals with high density in the passive film are formed by the reaction between PO 4 3− and Fe 2+ /Fe 3+ . Meanwhile, they obstruct the formation of macroscopic galvanic cells between Fe 0 and GAC, which will lower the wastewater treatment efficiency of Fe 0 /GAC reactor. In this study, in order to remove the Fe 3 (PO 4 ) 2 and FePO 4 crystals on the surface of the passive fillers, the bacteria were acclimated in the passive Fe 0 /GAC reactor. According to the results, it can be concluded that the Fe 3 (PO 4 ) 2 and FePO 4 crystals with high density in the passive film could be decomposed or removed by the joint action between the typical propionic acid type fermentation bacteria and sulfate reducing bacteria (SRB), whereas the PO 4 3− ions from the decomposition of the Fe 3 (PO 4 ) 2 and FePO 4 crystals were released into aqueous solution which would be discharged from the passive Fe 0 /GAC reactor. Furthermore, the remained FeS and sulfur (S) in the passive film also can be decomposed or removed easily by the oxidation of the sulfur-oxidizing bacteria. This study provides some theoretical references for the further study of a cost-effective bio-regeneration technology to solve the passive problems of the fillers in the zero-valent iron (ZVI) or Fe 0 /GAC reactor.

A triple-scale crystal plasticity modeling and simulation on size effect due to fine-graining

International Nuclear Information System (INIS)

Kurosawa, Eisuke; Aoyagi, Yoshiteru; Tadano, Yuichi; Shizawa, Kazuyuki

2010-01-01

In this paper, a triple-scale crystal plasticity model bridging three hierarchical material structures, i.e., dislocation structure, grain aggregate and practical macroscopic structure is developed. Geometrically necessary (GN) dislocation density and GN incompatibility are employed so as to describe isolated dislocations and dislocation pairs in a grain, respectively. Then the homogenization method is introduced into the GN dislocation-crystal plasticity model for derivation of the governing equation of macroscopic structure with the mathematical and physical consistencies. Using the present model, a triple-scale FE simulation bridging the above three hierarchical structures is carried out for f.c.c. polycrystals with different mean grain size. It is shown that the present model can qualitatively reproduce size effects of macroscopic specimen with ultrafine-grain, i.e., the increase of initial yield stress, the decrease of hardening ratio after reaching tensile strength and the reduction of tensile ductility with decrease of its grain size. Moreover, the relationship between macroscopic yielding of specimen and microscopic grain yielding is discussed and the mechanism of the poor tensile ductility due to fine-graining is clarified. (author)

Thermodynamic modeling of the Sr-Co-Fe-O system

DEFF Research Database (Denmark)

Zhang, Wei Wei; Povoden-Karadeniz, Erwin; Chen, Ming

2016-01-01

This paper reviews and assesses phase equilibria and thermodynamic properties of phases in the Sr-Co-Fe-O system, with a focus on oxides, especially the SrCo1 - xFexO3 - δ perovskite. In our work, the SrCo1 - xFexO3 - δ perovskite was modeled with a three-sublattice model, where the three...... sublattices correspond to the A, B and oxygen sites in an ABO3 perovskite, respectively. A number of other important ternary oxide phases in Sr-Co-O and Sr-Co-Fe-O were also considered. Available thermodynamic and phase diagram data were carefully assessed. A thermodynamic description of Sr-Co-O was derived...... using the CALPHAD approach and was further extrapolated to that of Sr-Co-Fe-O. The thermodynamic database of Sr-Co-Fe-O established in this work allows for calculating phase diagrams, thermodynamic properties, cation distribution and defect chemistry properties, and therefore enables material...

Microstructure and macroscopic properties of polydisperse systems of hard spheres

NARCIS (Netherlands)

Ogarko, V.

2014-01-01

This dissertation describes an investigation of systems of polydisperse smooth hard spheres. This includes the development of a fast contact detection algorithm for computer modelling, the development of macroscopic constitutive laws that are based on microscopic features such as the moments of the

Macroscopic description of complex adaptive networks coevolving with dynamic node states

Science.gov (United States)

Wiedermann, Marc; Donges, Jonathan F.; Heitzig, Jobst; Lucht, Wolfgang; Kurths, Jürgen

2015-05-01

In many real-world complex systems, the time evolution of the network's structure and the dynamic state of its nodes are closely entangled. Here we study opinion formation and imitation on an adaptive complex network which is dependent on the individual dynamic state of each node and vice versa to model the coevolution of renewable resources with the dynamics of harvesting agents on a social network. The adaptive voter model is coupled to a set of identical logistic growth models and we mainly find that, in such systems, the rate of interactions between nodes as well as the adaptive rewiring probability are crucial parameters for controlling the sustainability of the system's equilibrium state. We derive a macroscopic description of the system in terms of ordinary differential equations which provides a general framework to model and quantify the influence of single node dynamics on the macroscopic state of the network. The thus obtained framework is applicable to many fields of study, such as epidemic spreading, opinion formation, or socioecological modeling.

Macroscopic Magnetization Control by Symmetry Breaking of Photoinduced Spin Reorientation with Intense Terahertz Magnetic Near Field

Science.gov (United States)

Kurihara, Takayuki; Watanabe, Hiroshi; Nakajima, Makoto; Karube, Shutaro; Oto, Kenichi; Otani, YoshiChika; Suemoto, Tohru

2018-03-01

We exploit an intense terahertz magnetic near field combined with femtosecond laser excitation to break the symmetry of photoinduced spin reorientation paths in ErFeO3 . We succeed in aligning macroscopic magnetization reaching up to 80% of total magnetization in the sample to selectable orientations by adjusting the time delay between terahertz and optical pump pulses. The spin dynamics are well reproduced by equations of motion, including time-dependent magnetic potential. We show that the direction of the generated magnetization is determined by the transient direction of spin tilting and the magnetic field at the moment of photoexcitation.

Modeling Equilibrium Fe Isotope Fractionation in Fe-Organic Complexes: Implications for the use of Fe Isotopes as a Biomarker and Trends Based on the Properties of Bound Ligands

Science.gov (United States)

Domagal-Goldman, S.; Kubicki, J. D.

2006-05-01

Fe Isotopes have been proposed as a useful tracer of biological and geochemical processes. Key to understanding the effects these various processes have on Fe isotopes is accurate modeling of the reactions responsible for the isotope fractionations. In this study, we examined the theoretical basis for the claims that Fe isotopes can be used as a biomarker. This was done by using molecular orbital/density functional theory (MO/DFT) calculations to predict the equilibrium fractionation of Fe isotopes due to changes in the redox state and the bonding environment of Fe. Specifically, we predicted vibrational frequencies for iron desferrioxamine (Fe-DFOB), iron triscatechol (Fe(cat)3), iron trisoxalate (Fe(ox)3), and hexaaquo iron (Fe(H2O)6) for complexes containing both ferrous (Fe2+) and ferric (Fe3+) iron. Using these vibrational frequencies, we then predicted fractionation factors between these six complexes. The predicted fractionation factors resulting from changes in the redox state of Fe fell in the range 2.5- 3.5‰. The fractionation factors resulting from changes in the bonding environment of Fe ranged from 0.2 to 1.4‰. These results indicate that changes in the bonding strength of Fe ligands are less important to Fe isotope fractionation processes than are changes to the redox state of Fe. The implications for use of Fe as a tracer of biological processes is clear: abiological redox changes must be ruled out in a sample before Fe isotopes are considered as a potential biomarker. Furthermore, the use of Fe isotopes to measure the redox state of the Earths surface environment through time is supported by this work, since changes in the redox state of Fe appear to be the more important driver of isotopic fractionations. In addition to the large differences between redox-driven fractionations and ligand-driven fractionations, we will also show general trends in the demand for heavy Fe isotopes as a function of properties of the bound ligand. This will help the

A Structural Molar Volume Model for Oxide Melts Part III: Fe Oxide-Containing Melts

Science.gov (United States)

Thibodeau, Eric; Gheribi, Aimen E.; Jung, In-Ho

2016-04-01

As part III of this series, the model is extended to iron oxide-containing melts. All available experimental data in the FeO-Fe2O3-Na2O-K2O-MgO-CaO-MnO-Al2O3-SiO2 system were critically evaluated based on the experimental condition. The variations of FeO and Fe2O3 in the melts were taken into account by using FactSage to calculate the Fe2+/Fe3+ distribution. The molar volume model with unary and binary model parameters can be used to predict the molar volume of the molten oxide of the Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-FeO-Fe2O3-Al2O3-SiO2 system in the entire range of compositions, temperatures, and oxygen partial pressures from Fe saturation to 1 atm pressure.

Modeling on Fe-Cr microstructure: evolution with Cr content

International Nuclear Information System (INIS)

Diaz Arroyo, D.; Perlado, J.M.; Hernandez-Mayoral, M.; Caturla, M.J.; Victoria, M.

2007-01-01

Full text of publication follows: The minimum energy configuration of interstitials in the Fe-Cr system, which is the base for the low activation steels being developed in the European fusion reactor materials community, is determined by magnetism. Magnetism plays also a role in the atomic configurations found with increasing Cr content. Results will be presented from a program in which the microstructure evolution produced after heavy ion irradiation in the range from room temperature to 80 K is studied as a function of the Cr content in alloys produced under well controlled conditions, i.e. from high purity elements and with adequate heat treatment. It is expected that these measurements will serve as matrix for model validation. The first step in such modeling sequence is being performed by modeling the evolution of displacement cascades in Fe using the Dudarev -Derlet and Mendeleev potentials for Fe and the Caro potential for Fe-Cr. It is of particular interest to study the evolution of high-energy cascades, where an attempt will be made to clarify the role of the evolution of sub-cascades. Kinetic Monte Carlo (kMC) techniques will be used then to simulate the defect evolution. A new parallel kMC code is being implemented for this purpose. (authors)

From Microscopic to Macroscopic Descriptions of Cell Migration on Growing Domains

KAUST Repository

Baker, Ruth E.; Yates, Christian A.; Erban, Radek

2009-01-01

are studied, and correspondence with a macroscopic-level PDE describing the evolution of cell density is demonstrated. The individual-based models are formulated in terms of random walkers on a lattice. Domain growth provides an extra mathematical challenge

Estimation of macroscopic elastic characteristics for hierarchical anisotropic solids based on probabilistic approach

Science.gov (United States)

Smolina, Irina Yu.

2015-10-01

Mechanical properties of a cable are of great importance in design and strength calculation of flexible cables. The problem of determination of elastic properties and rigidity characteristics of a cable modeled by anisotropic helical elastic rod is considered. These characteristics are calculated indirectly by means of the parameters received from statistical processing of experimental data. These parameters are considered as random quantities. With taking into account probable nature of these parameters the formulas for estimation of the macroscopic elastic moduli of a cable are obtained. The calculating expressions for macroscopic flexural rigidity, shear rigidity and torsion rigidity using the macroscopic elastic characteristics obtained before are presented. Statistical estimations of the rigidity characteristics of some cable grades are adduced. A comparison with those characteristics received on the basis of deterministic approach is given.

Calculations of the magnetic properties of R2M14B intermetallic compounds (R=rare earth, M=Fe, Co)

International Nuclear Information System (INIS)

Ito, Masaaki; Yano, Masao; Dempsey, Nora M.; Givord, Dominique

2016-01-01

The hard magnetic properties of “R–M–B” (R=rare earth, M=mainly Fe) magnets derive from the specific intrinsic magnetic properties encountered in Fe-rich R 2 M 14 B compounds. Exchange interactions are dominated by the 3d elements, Fe and Co, and may be modeled at the macroscopic scale with good accuracy. Based on classical formulae that relate the anisotropy coefficients to the crystalline electric field parameters and exchange interactions, a simple numerical approach is used to derive the temperature dependence of anisotropy in various R 2 Fe 14 B compounds (R=Pr, Nd, Dy). Remarkably, a unique set of crystal field parameters give fair agreement with the experimentally measured properties of all compounds. This implies reciprocally that the properties of compounds that incorporate a mixture of different rare-earth elements may be predicted accurately. This is of special interest for material optimization that often involves the partial replacement of Nd with another R element and also the substitution of Co for Fe. - Highlights: • Anisotropy constants derived from CEF parameters of R 2 M 14 B compounds (M=Fe, Co). • Anisotropy constants of all R 2 Fe 14 B compounds using unique set of CEF parameters. • Moment non-collinearity in magnetization processes under B app along hard axis.

Macroscopic Optomechanically Induced Transparency

Science.gov (United States)

Pate, Jacob; Castelli, Alessandro; Martinez, Luis; Thompson, Johnathon; Chiao, Ray; Sharping, Jay

Optomechanically induced transparency (OMIT) is an effect wherein the spectrum of a cavity resonance is modified through interference between coupled excitation pathways. In this work we investigate a macroscopic, 3D microwave, superconducting radio frequency (SRF) cavity incorporating a niobium-coated, silicon-nitride membrane as the flexible boundary. The boundary supports acoustic vibrational resonances, which lead to coupling with the microwave resonances of the SRF cavity. The theoretical development and physical understanding of OMIT for our macroscopic SRF cavity is the same as that for other recently-reported OMIT systems despite vastly different optomechanical coupling factors and device sizes. Our mechanical oscillator has a coupling factor of g0 = 2 π . 1 ×10-5 Hz and is roughly 38 mm in diameter. The Q = 5 ×107 for the SRF cavity allows probing of optomechanical effects in the resolved sideband regime.

Measurement contextuality is implied by macroscopic realism

International Nuclear Information System (INIS)

Chen Zeqian; Montina, A.

2011-01-01

Ontological theories of quantum mechanics provide a realistic description of single systems by means of well-defined quantities conditioning the measurement outcomes. In order to be complete, they should also fulfill the minimal condition of macroscopic realism. Under the assumption of outcome determinism and for Hilbert space dimension greater than 2, they were all proved to be contextual for projective measurements. In recent years a generalized concept of noncontextuality was introduced that applies also to the case of outcome indeterminism and unsharp measurements. It was pointed out that the Beltrametti-Bugajski model is an example of measurement noncontextual indeterminist theory. Here we provide a simple proof that this model is the only one with such a feature for projective measurements and Hilbert space dimension greater than 2. In other words, there is no extension of quantum theory providing more accurate predictions of outcomes and simultaneously preserving the minimal labeling of events through projective operators. As a corollary, noncontextuality for projective measurements implies noncontextuality for unsharp measurements. By noting that the condition of macroscopic realism requires an extension of quantum theory, unless a breaking of unitarity is invoked, we arrive at the conclusion that the only way to solve the measurement problem in the framework of an ontological theory is by relaxing the hypothesis of measurement noncontextuality in its generalized sense.

Magnetic reversal processes and critical thickness in FePt/α-Fe/FePt trilayers

International Nuclear Information System (INIS)

Guo, N.L.; Zhao, G.P.; Zhang, H.W.; Zhou, X.L.; Deng, Y.

2011-01-01

Magnetic reversal processes of a FePt/α-Fe/FePt trilayer system with in-plane easy axes have been investigated within a micromagnetic approach. It is found that the magnetic reversal process consists of three steps: nucleation of a prototype of domain wall in the soft phase, the evolution as well as the motion of the domain wall from the soft to the hard phase and finally, the magnetic reversal of the hard phase. For small soft layer thickness L s , the three steps are reduced to one single step, where the magnetizations in the two phases reverses simultaneously and the hysteresis loops are square with nucleation as the coercivity mechanism. As L s increases, both nucleation and pinning fields decrease. In the meantime, the single-step reversal expands to a standard three-step one and the coercivity mechanism changes from nucleation to pinning. The critical thickness where the coercivity mechanism alters, could be derived analytically, which is found to be inversely proportional to the square root of the crystalline anisotropy of the hard phase. Such a scaling law might provide an easy way to test the present theory. Further increase of L s leads to the change of the coercivity mechanism from pinning to nucleation. - Highlights: → Analytical critical thickness scales with square root of anisotropy of hard phase. → Reversal process determined nucleation, motion and depinning of domain walls. → Coercivity mechanism is nucleation and pinning for thin and thick soft layers. → Microscopic and macroscopic hysteresis loops calculated.

Concept and development of an orthotropic FE model of the proximal femur.

Science.gov (United States)

Wirtz, Dieter Christian; Pandorf, Thomas; Portheine, Frank; Radermacher, Klaus; Schiffers, Norbert; Prescher, Andreas; Weichert, Dieter; Niethard, Fritz Uwe

2003-02-01

In contrast to many isotropic finite-element (FE) models of the femur in literature, it was the object of our study to develop an orthotropic FE "model femur" to realistically simulate three-dimensional bone remodelling. The three-dimensional geometry of the proximal femur was reconstructed by CT scans of a pair of cadaveric femurs at equal distances of 2mm. These three-dimensional CT models were implemented into an FE simulation tool. Well-known "density-determined" bony material properties (Young's modulus; Poisson's ratio; ultimate strength in pressure, tension and torsion; shear modulus) were assigned to each FE of the same "CT-density-characterized" volumetric group. In order to fix the principal directions of stiffness in FE areas with the same "density characterization", the cadaveric femurs were cut in 2mm slices in frontal (left femur) and sagittal plane (right femur). Each femoral slice was scanned into a computer-based image processing system. On these images, the principal directions of stiffness of cancellous and cortical bone were determined manually using the orientation of the trabecular structures and the Haversian system. Finally, these geometric data were matched with the "CT-density characterized" three-dimensional femur model. In addition, the time and density-dependent adaptive behaviour of bone remodelling was taken into account by implementation of Carter's criterion. In the constructed "model femur", each FE is characterized by the principal directions of the stiffness and the "CT-density-determined" material properties of cortical and cancellous bone. Thus, on the basis of anatomic data a three-dimensional FE simulation reference model of the proximal femur was realized considering orthotropic conditions of bone behaviour. With the orthotropic "model femur", the fundamental basis has been formed to realize realistic simulations of the dynamical processes of bone remodelling under different loading conditions or operative procedures

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

Directory of Open Access Journals (Sweden)

Xiaohong Li

2018-02-01

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

Dynamic Heterogeneous Multiscale Filtration Model: Probing Micro- and Macroscopic Filtration Characteristics of Gasoline Particulate Filters.

Science.gov (United States)

Gong, Jian; Viswanathan, Sandeep; Rothamer, David A; Foster, David E; Rutland, Christopher J

2017-10-03

Motivated by high filtration efficiency (mass- and number-based) and low pressure drop requirements for gasoline particulate filters (GPFs), a previously developed heterogeneous multiscale filtration (HMF) model is extended to simulate dynamic filtration characteristics of GPFs. This dynamic HMF model is based on a probability density function (PDF) description of the pore size distribution and classical filtration theory. The microstructure of the porous substrate in a GPF is resolved and included in the model. Fundamental particulate filtration experiments were conducted using an exhaust filtration analysis (EFA) system for model validation. The particulate in the filtration experiments was sampled from a spark-ignition direct-injection (SIDI) gasoline engine. With the dynamic HMF model, evolution of the microscopic characteristics of the substrate (pore size distribution, porosity, permeability, and deposited particulate inside the porous substrate) during filtration can be probed. Also, predicted macroscopic filtration characteristics including particle number concentration and normalized pressure drop show good agreement with the experimental data. The resulting dynamic HMF model can be used to study the dynamic particulate filtration process in GPFs with distinct microstructures, serving as a powerful tool for GPF design and optimization.

Formation of macroscopic surface layers on Fe(0) electrocoagulation electrodes during an extended field trial of arsenic treatment.

Science.gov (United States)

van Genuchten, Case M; Bandaru, Siva R S; Surorova, Elena; Amrose, Susan E; Gadgil, Ashok J; Peña, Jasquelin

2016-06-01

Extended field trials to remove arsenic (As) via Fe(0) electrocoagulation (EC) have demonstrated consistent As removal from groundwater to concentrations below 10 μg L(-1). However, the coulombic performance of long-term EC field operation is lower than that of laboratory-based systems. Although EC electrodes used over prolonged periods show distinct passivation layers, which have been linked to decreased treatment efficiency, the spatial distribution and mineralogy of such surface layers have not been investigated. In this work, we combine wet chemical measurements with sub-micron-scale chemical maps and selected area electron diffraction (SAED) to determine the chemical composition and mineral phase of surface layers formed during long-term Fe(0) EC treatment. We analyzed Fe(0) EC electrodes used for 3.5 months of daily treatment of As-contaminated groundwater in rural West Bengal, India. We found that the several mm thick layer that formed on cathodes and anodes consisted of primarily magnetite, with minor fractions of goethite. Spatially-resolved SAED patterns also revealed small quantities of CaCO3, Mn oxides, and SiO2, the source of which was the groundwater electrolyte. We propose that the formation of the surface layer contributes to decreased treatment performance by preventing the migration of EC-generated Fe(II) to the bulk electrolyte, where As removal occurs. The trapped Fe(II) subsequently increases the surface layer size at the expense of treatment efficiency. Based on these findings, we discuss several simple and affordable methods to prevent the efficiency loss due to the surface layer, including alternating polarity cycles and cleaning the Fe(0) surface mechanically or via electrolyte scouring. Copyright © 2016 Elsevier Ltd. All rights reserved.

The role of disorder in Fe-doped CMR manganites as explored by μSR spectroscopy

International Nuclear Information System (INIS)

Gutierrez, J.; Bermejo, F.J.; Barandiaran, J.M.; Cottrell, S.P.; Romano, P.; Mondelli, C.; Fernandez Barquin, L.; Pena, A.

2006-01-01

A study on the effect of Fe doping on the magnetic properties of La 0.7 Pb 0.3 Mn 1-x Fe x O x , x=0 and x=0.2 perovskites is conducted using muon spectroscopy and macroscopic static magnetization measurements. For x=0, magnetization curves show a clear ferromagnetic component while a 20% Fe doping leads to the appearance of a kink in zero-field curves at low temperatures, attributed to progressive spin freezing together with a reduction of the ferromagnetic component. On dynamic grounds, we show that this effect translates into the appearance of non-exponential relaxation as T c is crossed from above. d from above

Hyperfine Interactions and Some Magnetic Properties of Nanocrystalline Co40Fe50Ni10 and Co50Fe45Ni5 Alloys Prepared by Mechanical Synthesis and Subsequently Heat Treated

International Nuclear Information System (INIS)

Pikula, T.; Oleszak, D.; Pekala, M.

2011-01-01

Co 40 Fe 50 Ni 10 and Co 50 Fe 45 Ni 5 ternary alloys were prepared by mechanical alloying method. To check the stability of their structure thermal treatment was applied subsequently. As X-ray diffraction studies proved the final products of milling were the solid solutions with bcc lattice and the average grain sizes ranged of tens of nanometers. After heating of the Co 50 Fe 45 Ni 5 alloy up to 993 K the mixture of two solid solutions with bcc and fcc lattices was formed. In other cases thermal treatment did not change the type of the crystalline lattice. Moessbauer spectroscopy revealed hyperfine magnetic field distributions which reflected the different possible atomic surroundings of 57 Fe isotopes. Results of the macroscopic magnetic measurements proved that both investigated alloys had relatively good soft magnetic properties. (authors)

Macroscopic magnetic Self assembly

NARCIS (Netherlands)

Löthman, Per Arvid

2018-01-01

Exploring the macroscopic scale's similarities to the microscale is part and parcel of this thesis as reflected in the research question: what can we learn about the microscopic scale by studying the macroscale? Investigations of the environment in which the self-assembly takes place, and the

Metastable Phase Separation and Concomitant Solute Redistribution of Liquid Fe-Cu-Sn Ternary Alloy

International Nuclear Information System (INIS)

Xiao-Mei, Zhang; Wei-Li, Wang; Ying, Ruan; Bing-Bo, Wei

2010-01-01

Liquid Fe-Cu-Sn ternary alloys with lower Sn contents are usually assumed to display a peritectic-type solidification process under equilibrium condition. Here we show that liquid Fe 47.5 Cu 47.5 Sn 5 ternary alloy exhibits a metastable immiscibility gap in the undercooling range of 51–329 K (0.19T L ). Macroscopic phase separation occurs once undercooling exceeds 196 K and causes the formation of a floating Fe-rich zone and a descending Cu-rich zone. Solute redistribution induces the depletion of Sn concentration in the Fe-rich zone and its enrichment in the Cu-rich zone. The primary Fe phase grows dendritically and its growth velocity increases with undercooling until the appearance of notable macrosegregation, but will decrease if undercooling further increases beyond 236 K. The microsegregation degrees of both solutes in Fe and Cu phases vary only slightly with undercooling. (condensed matter: structure, mechanical and thermal properties)

Strength anomaly in B2 FeAl single crystals

Energy Technology Data Exchange (ETDEWEB)

Yoshimi, K.; Hanada, S.; Yoo, M.H. [Oak Ridge National Lab., TN (United States); Matsumoto, N. [Tohoku Univ. (Japan). Graduate School

1994-12-31

Strength and deformation microstructure of B2 Fe-39 and 48%Al single crystals (composition given in atomic percent), which were fully annealed to remove frozen-in vacancies, have been investigated at temperatures between room temperature and 1073K. The hardness of as-homogenized Fe-48Al is higher than that of as-homogenized Fe-39Al while after additional annealing at 698K the hardness of Fe-48Al becomes lower than that of Fe-39Al. Fe-39Al single crystals slowly cooled after homogenizing at a high temperature were deformed in compression as a function of temperature and crystal orientation. A peak of yield strength appears around 0.5T{sub m} (T{sub m} = melting temperature). The orientation dependence of the critical resolved shear stress does not obey Schmid`s law even at room temperature and is quite different from that of b.c.c. metals and B2 intermetallics at low temperatures. At the peak temperature slip transition from <111>-type to <001>-type is found to occur macroscopically and microscopically, while it is observed in TEM that some of the [111] dislocations decompose into [101] and [010] on the (1096I) plane below the peak temperature. The physical sources for the positive temperature dependence of yield stress of B2 FeAl are discussed based on the obtained results.

Macroscopic effects in attosecond pulse generation

International Nuclear Information System (INIS)

Ruchon, T; Varju, K; Mansten, E; Swoboda, M; L'Huillier, A; Hauri, C P; Lopez-Martens, R

2008-01-01

We examine how the generation and propagation of high-order harmonics in a partly ionized gas medium affect their strength and synchronization. The temporal properties of the resulting attosecond pulses generated in long gas targets can be significantly influenced by macroscopic effects, in particular by the intensity in the medium and the degree of ionization which control the dispersion. Under some conditions, the use of gas targets longer than the absorption length can lead to the generation of compressed attosecond pulses. We show these macroscopic effects experimentally, using a 6 mm-long argon-filled gas cell as the generating medium

Macroscopic effects in attosecond pulse generation

Energy Technology Data Exchange (ETDEWEB)

Ruchon, T; Varju, K; Mansten, E; Swoboda, M; L' Huillier, A [Department of Physics, Lund University, PO Box 118, SE-221 00 Lund (Sweden); Hauri, C P; Lopez-Martens, R [Laboratoire d' Optique Appliquee, Ecole Nationale Superieure des Techniques Avancees (ENSTA)-Ecole Polytechnique CNRS UMR 7639, 91761 Palaiseau (France)], E-mail: anne.lhuillier@fysik.lth.se

2008-02-15

We examine how the generation and propagation of high-order harmonics in a partly ionized gas medium affect their strength and synchronization. The temporal properties of the resulting attosecond pulses generated in long gas targets can be significantly influenced by macroscopic effects, in particular by the intensity in the medium and the degree of ionization which control the dispersion. Under some conditions, the use of gas targets longer than the absorption length can lead to the generation of compressed attosecond pulses. We show these macroscopic effects experimentally, using a 6 mm-long argon-filled gas cell as the generating medium.

Determination of the macroscopic chloride diffusivity in cementitious by porous materials coupling periodic homogenization of Nernst-Planck equation with experimental protocol

Directory of Open Access Journals (Sweden)

Olivier Millet

2008-03-01

Full Text Available In this paper, we propose a macroscopic migration model for cementitious porous media obtained from periodic homogenization technique. The dimensional analysis of Nernst-Planck equation leads to dimensionless numbers characterizing the problem. According to the order of magnitude of the dimensionless numbers, the homogenization of Nernst-Planck equation leads at the leading order to a macroscopic model where several rates can be coupled or not. For a large applied electrical field accelerating the transfer of ionic species, we obtain a macroscopic model only involving migration. A simple experimental procedure of measurement of the homogenized chlorides diffusivity is then proposed for cement-based materials.

Multiscale Investigation on Biofilm Distribution and Its Impact on Macroscopic Biogeochemical Reaction Rates: BIOFILM DISTRIBUTION AND RATE SCALING

Energy Technology Data Exchange (ETDEWEB)

Yan, Zhifeng [Institute of Surface-Earth System Science, Tianjin University, Tianjin China; Pacific Northwest National Laboratory, Richland WA USA; Liu, Chongxuan [Pacific Northwest National Laboratory, Richland WA USA; School of Environmental Science and Engineering, Southern University of Science and Technology, Shenzhen China; Liu, Yuanyuan [Pacific Northwest National Laboratory, Richland WA USA; School of Earth Science and Engineering, Nanjing University, Nanjing China; Bailey, Vanessa L. [Pacific Northwest National Laboratory, Richland WA USA

2017-11-01

Biofilms are critical locations for biogeochemical reactions in the subsurface environment. The occurrence and distribution of biofilms at microscale as well as their impacts on macroscopic biogeochemical reaction rates are still poorly understood. This paper investigated the formation and distributions of biofilms in heterogeneous sediments using multiscale models, and evaluated the effects of biofilm heterogeneity on local and macroscopic biogeochemical reaction rates. Sediment pore structures derived from X-ray computed tomography were used to simulate the microscale flow dynamics and biofilm distribution in the sediment column. The response of biofilm formation and distribution to the variations in hydraulic and chemical properties was first examined. One representative biofilm distribution was then utilized to evaluate its effects on macroscopic reaction rates using nitrate reduction as an example. The results revealed that microorganisms primarily grew on the surfaces of grains and aggregates near preferential flow paths where both electron donor and acceptor were readily accessible, leading to the heterogeneous distribution of biofilms in the sediments. The heterogeneous biofilm distribution decreased the macroscopic rate of biogeochemical reactions as compared with those in homogeneous cases. Operationally considering the heterogeneous biofilm distribution in macroscopic reactive transport models such as using dual porosity domain concept can significantly improve the prediction of biogeochemical reaction rates. Overall, this study provided important insights into the biofilm formation and distribution in soils and sediments as well as their impacts on the macroscopic manifestation of reaction rates.

Nonequilibrium work relation in a macroscopic system

International Nuclear Information System (INIS)

Sughiyama, Yuki; Ohzeki, Masayuki

2013-01-01

We reconsider a well-known relationship between the fluctuation theorem and the second law of thermodynamics by evaluating stochastic evolution of the density field (probability measure valued process). In order to establish a bridge between microscopic and macroscopic behaviors, we must take the thermodynamic limit of a stochastic dynamical system following the standard procedure in statistical mechanics. The thermodynamic path characterizing a dynamical behavior in the macroscopic scale can be formulated as an infimum of the action functional for the stochastic evolution of the density field. In our formulation, the second law of thermodynamics can be derived only by symmetry of the action functional without recourse to the Jarzynski equality. Our formulation leads to a nontrivial nonequilibrium work relation for metastable (quasi-stationary) states, which are peculiar in the macroscopic system. We propose a prescription for computing the free energy for metastable states based on the resultant work relation. (paper)

Thermodynamic modeling of the Sr-Co-Fe-O system

DEFF Research Database (Denmark)

Zhang, Wei Wei; Povoden-Karadeniz, Erwin; Chen, Ming

2016-01-01

This paper reviews and assesses phase equilibria and thermodynamic properties of phases in the Sr-Co-Fe-O system, with a focus on oxides, especially the SrCo1 - xFexO3 - δ perovskite. In our work, the SrCo1 - xFexO3 - δ perovskite was modeled with a three-sublattice model, where the three...... sublattices correspond to the A, B and oxygen sites in an ABO3 perovskite, respectively. A number of other important ternary oxide phases in Sr-Co-O and Sr-Co-Fe-O were also considered. Available thermodynamic and phase diagram data were carefully assessed. A thermodynamic description of Sr-Co-O was derived...

Pathways toward understanding Macroscopic Quantum Phenomena

International Nuclear Information System (INIS)

Hu, B L; Subaşi, Y

2013-01-01

Macroscopic quantum phenomena refer to quantum features in objects of 'large' sizes, systems with many components or degrees of freedom, organized in some ways where they can be identified as macroscopic objects. This emerging field is ushered in by several categories of definitive experiments in superconductivity, electromechanical systems, Bose-Einstein condensates and others. Yet this new field which is rich in open issues at the foundation of quantum and statistical physics remains little explored theoretically (with the important exception of the work of A J Leggett [1], while touched upon or implied by several groups of authors represented in this conference. Our attitude differs in that we believe in the full validity of quantum mechanics stretching from the testable micro to meso scales, with no need for the introduction of new laws of physics.) This talk summarizes our thoughts in attempting a systematic investigation into some key foundational issues of quantum macroscopic phenomena, with the goal of ultimately revealing or building a viable theoretical framework. Three major themes discussed in three intended essays are the large N expansion [2], the correlation hierarchy [3] and quantum entanglement [4]. We give a sketch of the first two themes and then discuss several key issues in the consideration of macro and quantum, namely, a) recognition that there exist many levels of structure in a composite body and only by judicious choice of an appropriate set of collective variables can one give the best description of the dynamics of a specific level of structure. Capturing the quantum features of a macroscopic object is greatly facilitated by the existence and functioning of these collective variables; b) quantum entanglement, an exclusively quantum feature [5], is known to persist to high temperatures [6] and large scales [7] under certain conditions, and may actually decrease with increased connectivity in a quantum network [8]. We use entanglement as a

Macroscopic nonclassical-state preparation via postselection

Science.gov (United States)

Montenegro, Víctor; Coto, Raúl; Eremeev, Vitalie; Orszag, Miguel

2017-11-01

Macroscopic quantum superposition states are fundamental to test the classical-quantum boundary and present suitable candidates for quantum technologies. Although the preparation of such states has already been realized, the existing setups commonly consider external driving and resonant interactions, predominantly by considering Jaynes-Cummings-like and beam-splitter-like interactions, as well as the nonlinear radiation pressure interaction in cavity optomechanics. In contrast to previous works on the matter, we propose a feasible probabilistic scheme to generate a macroscopic mechanical qubit, as well as phononic Schrödinger's cat states with no need of any energy exchange with the macroscopic mechanical oscillator. Essentially, we investigate an open dispersive spin-mechanical system in the absence of any external driving under nonideal conditions, such as the detrimental effects due to the oscillator and spin energy losses in a thermal bath at nonzero temperature. In our work, we show that the procedure to generate the mechanical qubit state is solely based on spin postselection in the weak to moderate coupling regime. Finally, we demonstrate that the mechanical superposition is related to the amplification of the mean values of the mechanical quadratures as they maximize the quantum coherence.

Scanner-based macroscopic color variation estimation

Science.gov (United States)

Kuo, Chunghui; Lai, Di; Zeise, Eric

2006-01-01

Flatbed scanners have been adopted successfully in the measurement of microscopic image artifacts, such as granularity and mottle, in print samples because of their capability of providing full color, high resolution images. Accurate macroscopic color measurement relies on the use of colorimeters or spectrophotometers to provide a surrogate for human vision. The very different color response characteristics of flatbed scanners from any standard colorimetric response limits the utility of a flatbed scanner as a macroscopic color measuring device. This metamerism constraint can be significantly relaxed if our objective is mainly to quantify the color variations within a printed page or between pages where a small bias in measured colors can be tolerated as long as the color distributions relative to the individual mean values is similar. Two scenarios when converting color from the device RGB color space to a standardized color space such as CIELab are studied in this paper, blind and semi-blind color transformation, depending on the availability of the black channel information. We will show that both approaches offer satisfactory results in quantifying macroscopic color variation across pages while the semi-blind color transformation further provides fairly accurate color prediction capability.

Assessments of macroscopicity for quantum optical states

DEFF Research Database (Denmark)

Laghaout, Amine; Neergaard-Nielsen, Jonas Schou; Andersen, Ulrik Lund

2015-01-01

With the slow but constant progress in the coherent control of quantum systems, it is now possible to create large quantum superpositions. There has therefore been an increased interest in quantifying any claims of macroscopicity. We attempt here to motivate three criteria which we believe should...... enter in the assessment of macroscopic quantumness: The number of quantum fluctuation photons, the purity of the states, and the ease with which the branches making up the state can be distinguished. © 2014....

Nuclear fission as a macroscopic quantum tunneling

International Nuclear Information System (INIS)

Takigawa, N.

1995-01-01

We discuss nuclear fission from the point of view of a macroscopic quantum tunneling, one of whose major interests is to study the effects of environments on the tunneling rate of a macroscopic variable. We show that a vibrational excitation of the fissioning nucleus significantly enhances the fission rate. We show this effect by two different methods. The one is to treat the vibrational excitation as an environmental degree of freedom, the other treats the fission as a two dimensional quantum tunneling. (author)

Conversion of light into macroscopic helical motion

Science.gov (United States)

Iamsaard, Supitchaya; Aßhoff, Sarah J.; Matt, Benjamin; Kudernac, Tibor; Cornelissen, Jeroen J. L. M.; Fletcher, Stephen P.; Katsonis, Nathalie

2014-03-01

A key goal of nanotechnology is the development of artificial machines capable of converting molecular movement into macroscopic work. Although conversion of light into shape changes has been reported and compared to artificial muscles, real applications require work against an external load. Here, we describe the design, synthesis and operation of spring-like materials capable of converting light energy into mechanical work at the macroscopic scale. These versatile materials consist of molecular switches embedded in liquid-crystalline polymer springs. In these springs, molecular movement is converted and amplified into controlled and reversible twisting motions. The springs display complex motion, which includes winding, unwinding and helix inversion, as dictated by their initial shape. Importantly, they can produce work by moving a macroscopic object and mimicking mechanical movements, such as those used by plant tendrils to help the plant access sunlight. These functional materials have potential applications in micromechanical systems, soft robotics and artificial muscles.

The Two-Time Interpretation and Macroscopic Time-Reversibility

Directory of Open Access Journals (Sweden)

Yakir Aharonov

2017-03-01

Full Text Available The two-state vector formalism motivates a time-symmetric interpretation of quantum mechanics that entails a resolution of the measurement problem. We revisit a post-selection-assisted collapse model previously suggested by us, claiming that unlike the thermodynamic arrow of time, it can lead to reversible dynamics at the macroscopic level. In addition, the proposed scheme enables us to characterize the classical-quantum boundary. We discuss the limitations of this approach and its broad implications for other areas of physics.

Interparticle interactions of FePt core and Fe{sub 3}O{sub 4} shell in FePt/Fe{sub 3}O{sub 4} magnetic nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Akbari, Hossein, E-mail: Akbari.ph@iauardabil.ac.ir [Department of Physics, Ardabil Branch, Islamic Azad University, Ardabil (Iran, Islamic Republic of); Zeynali, Hossein [Department of Physics, Kashan Branch, Islamic Azad University, Kashan (Iran, Islamic Republic of); Bakhshayeshi, Ali [Department of Physics, Mashhad Branch, Islamic Azad University, Mashhad (Iran, Islamic Republic of)

2016-02-22

Monodisperse FePt nanoparticles were successfully synthesized using simple wet chemical method. Fe{sub 3}O{sub 4} was used as a magnetic shell around each FePt nanoparticles. In FePt/Fe{sub 3}O{sub 4} core/shell system, core thickness is 2 nm and shell thickness varies from zero to 2.5 nm. A theoretical model presented to calculate the shell thickness dependence of Coercivity. Presented model is compared with the results from Stoner–Wohlfarth model to interpret the shell thickness dependence of Coercivity in FePt/Fe{sub 3}O{sub 4} core/shell nanoparticles. There is a difference between the results from Stoner–Wohlfarth model and experimental data when the shell thickness increases. In the presented model, the effects of interparticle exchange and random magneto crystalline anisotropy are added to the previous models of magnetization reversal for core/shell nanostructures in order to achieve a better agreement with experimental data. For magnetic shells in FePt/Fe{sub 3}O{sub 4} core/shell, effective coupling between particles increases with increasing shell thickness which leads to Coercivity destruction for stronger couplings. According to the boundary conditions, in the harder regions with higher exchange stiffness, there is small variation in magnetization and so the magnetization modes become more localized. We discussed both localized and non-localized magnetization modes. For non-zero shell thickness, non-localized modes propagate in the soft phase which effects the quality of particle exchange interactions. - Highlights: • Monodisperse FePt nanoparticles were successfully synthesized using simple wet chemical method. • Fe{sub 3}O{sub 4} was used as a magnetic shell around each FePt nanoparticles. • A theoretical model presented to calculate the shell thickness dependence of Coercivity. • Magnetic shells increase effective coupling between particles with increasing shell thickness. • Magnetization modes are more localized in the regions with

Experimental Investigation and Thermodynamic Modeling of the B2O3-FeO-Fe2O3-Nd2O3 System for Recycling of NdFeB Magnet Scrap

Science.gov (United States)

Jakobsson, Lars Klemet; Tranell, Gabriella; Jung, In-Ho

2017-02-01

NdFeB magnet scrap is an alternative source of neodymium that could have a significantly lower impact on the environment than current mining and extraction processes. Neodymium can be readily oxidized in the presence of oxygen, which makes it easy to recover neodymium in oxide form. Thermochemical data and phase diagrams for neodymium oxide containing systems is, however, very limited. Thermodynamic modeling of the B2O3-FeO-Fe2O3-Nd2O3 system was hence performed to obtain accurate phase diagrams and thermochemical properties of the system. Key phase diagram experiments were also carried out for the FeO-Nd2O3 system in saturation with iron to improve the accuracy of the present modeling. The modified quasichemical model was used to describe the Gibbs energy of the liquid oxide phase. The Gibbs energy functions of the liquid phase and the solids were optimized to reproduce all available and reliable phase diagram data, and thermochemical properties of the system. Finally the optimized database was applied to calculate conditions for selective oxidation of neodymium from NdFeB magnet waste.

Structured pathology reporting improves the macroscopic assessment of rectal tumour resection specimens.

Science.gov (United States)

King, Simon; Dimech, Margaret; Johnstone, Susan

2016-06-01

We examined whether introduction of a structured macroscopic reporting template for rectal tumour resection specimens improved the completeness and efficiency in collecting key macroscopic data elements. Fifty free text (narrative) macroscopic reports retrieved from 2012 to 2014 were compared with 50 structured macroscopic reports from 2013 to 2015, all of which were generated at John Hunter Hospital, Newcastle, NSW. The six standard macroscopic data elements examined in this study were reported in all 50 anatomical pathology reports using a structured macroscopic reporting dictation template. Free text reports demonstrated significantly impaired data collection when recording intactness of mesorectum (p<0.001), relationship to anterior peritoneal reflection (p=0.028) and distance of tumour to the non-peritonealised circumferential margin (p<0.001). The number of words used was also significantly (p<0.001) reduced using pre-formatted structured reports compared to free text reports. The introduction of a structured reporting dictation template improves data collection and may reduce the subsequent administrative burden when macroscopically evaluating rectal resections. Copyright © 2016 Royal College of Pathologists of Australasia. Published by Elsevier B.V. All rights reserved.

Side impact injury prediction with fe simulations of the new advanced world sid fe dummy models

NARCIS (Netherlands)

Liu, Y.; Zhu, F.; Wang, Z.; Ratingen, M.R. van

2007-01-01

Two new World SID (50th and 5th) FE models were developed for providing virtual tools of predicting occupant injuries during vehicle side collisions. The virtual dummy models have been verified with their physical counterparts in aspects of lab certification tests, bio-fidelity and sled tests. Many

Superconductivity and macroscopic quantum phenomena

International Nuclear Information System (INIS)

Rogovin, D.; Scully, M.

1976-01-01

It is often asserted that superconducting systems are manifestations of quantum mechanics on a macroscopic scale. In this review article it is demonstrated that this quantum assertion is true within the framework of the microscopic theory of superconductivity. (Auth.)

Macroscopic quantum tunnelling in a current biased Josephson junction

International Nuclear Information System (INIS)

Martinis, J.M.; Devoret, M.H.; Clarke, J.; Urbina, C.

1984-11-01

We discuss in this work an attempt to answer experimentally the question: do macroscopic variables obey quantum mechanics. More precisely, this experiment deals with the question of quantum-mechanical tunnelling of a macroscopic variable, a subject related to the famous Schrodinger's cat problem in the theory of measurement

Connecting grain-scale physics to macroscopic granular flow behavior using discrete contact-dynamics simulations, centrifuge experiments, and continuum modeling

Science.gov (United States)

Reitz, Meredith; Stark, Colin; Hung, Chi-Yao; Smith, Breannan; Grinspin, Eitan; Capart, Herve; Li, Liming; Crone, Timothy; Hsu, Leslie; Ling, Hoe

2014-05-01

characterize both the convergence of these grain-scale parameters toward the empirical coefficients of the macroscopic descriptions, and the deviations from continuum model predictions caused by nonlocal granular effects for quantities such as erosion rate. We will also summarize the context and implications of our work for both granular physics theory and granular flow hazard risk assessment.

Macroscopic Quantum Resonators (MAQRO): 2015 update

International Nuclear Information System (INIS)

Kaltenbaek, Rainer; Aspelmeyer, Markus; Kiesel, Nikolai; Barker, Peter F.; Bose, Sougato; Bassi, Angelo; Bateman, James; Bongs, Kai; Cruise, Adrian Michael; Braxmaier, Claus; Brukner, Caslav; Christophe, Bruno; Rodrigues, Manuel; Chwalla, Michael; Johann, Ulrich; Cohadon, Pierre-Francois; Heidmann, Antoine; Lambrecht, Astrid; Reynaud, Serge; Curceanu, Catalina; Dholakia, Kishan; Mazilu, Michael; Diosi, Lajos; Doeringshoff, Klaus; Peters, Achim; Ertmer, Wolfgang; Rasel, Ernst M.; Gieseler, Jan; Novotny, Lukas; Rondin, Loic; Guerlebeck, Norman; Herrmann, Sven; Laemmerzahl, Claus; Hechenblaikner, Gerald; Hossenfelder, Sabine; Kim, Myungshik; Milburn, Gerard J.; Mueller, Holger; Paternostro, Mauro; Pikovski, Igor; Pilan Zanoni, Andre; Riedel, Charles Jess; Roura, Albert; Schleich, Wolfgang P.; Schmiedmayer, Joerg; Schuldt, Thilo; Schwab, Keith C.; Tajmar, Martin; Tino, Guglielmo M.; Ulbricht, Hendrik; Ursin, Rupert; Vedral, Vlatko

2016-01-01

Do the laws of quantum physics still hold for macroscopic objects - this is at the heart of Schroedinger's cat paradox - or do gravitation or yet unknown effects set a limit for massive particles? What is the fundamental relation between quantum physics and gravity? Ground-based experiments addressing these questions may soon face limitations due to limited free-fall times and the quality of vacuum and microgravity. The proposed mission Macroscopic Quantum Resonators (MAQRO) may overcome these limitations and allow addressing such fundamental questions. MAQRO harnesses recent developments in quantum optomechanics, high-mass matter-wave interferometry as well as state-of-the-art space technology to push macroscopic quantum experiments towards their ultimate performance limits and to open new horizons for applying quantum technology in space. The main scientific goal is to probe the vastly unexplored 'quantum-classical' transition for increasingly massive objects, testing the predictions of quantum theory for objects in a size and mass regime unachievable in ground-based experiments. The hardware will largely be based on available space technology. Here, we present the MAQRO proposal submitted in response to the 4th Cosmic Vision call for a medium-sized mission (M4) in 2014 of the European Space Agency (ESA) with a possible launch in 2025, and we review the progress with respect to the original MAQRO proposal for the 3rd Cosmic Vision call for a medium-sized mission (M3) in 2010. In particular, the updated proposal overcomes several critical issues of the original proposal by relying on established experimental techniques from high-mass matter-wave interferometry and by introducing novel ideas for particle loading and manipulation. Moreover, the mission design was improved to better fulfill the stringent environmental requirements for macroscopic quantum experiments. (orig.)

Macroscopic Quantum Resonators (MAQRO): 2015 update

Energy Technology Data Exchange (ETDEWEB)

Kaltenbaek, Rainer [University of Vienna, Vienna Center for Quantum Science and Technology, Vienna (Austria); Aspelmeyer, Markus; Kiesel, Nikolai [University of Vienna, Vienna Center for Quantum Science and Technology, Vienna (Austria); Barker, Peter F.; Bose, Sougato [University College London, Department of Physics and Astronomy, London (United Kingdom); Bassi, Angelo [University of Trieste, Department of Physics, Trieste (Italy); INFN - Trieste Section, Trieste (Italy); Bateman, James [University of Swansea, Department of Physics, College of Science, Swansea (United Kingdom); Bongs, Kai; Cruise, Adrian Michael [University of Birmingham, School of Physics and Astronomy, Birmingham (United Kingdom); Braxmaier, Claus [University of Bremen, Center of Applied Space Technology and Micro Gravity (ZARM), Bremen (Germany); Institute of Space Systems, German Aerospace Center (DLR), Bremen (Germany); Brukner, Caslav [University of Vienna, Vienna Center for Quantum Science and Technology, Vienna (Austria); Austrian Academy of Sciences, Institute of Quantum Optics and Quantum Information (IQOQI), Vienna (Austria); Christophe, Bruno; Rodrigues, Manuel [The French Aerospace Lab, ONERA, Chatillon (France); Chwalla, Michael; Johann, Ulrich [Airbus Defence and Space GmbH, Immenstaad (Germany); Cohadon, Pierre-Francois; Heidmann, Antoine; Lambrecht, Astrid; Reynaud, Serge [ENS-PSL Research University, Laboratoire Kastler Brossel, UPMC-Sorbonne Universites, CNRS, College de France, Paris (France); Curceanu, Catalina [Laboratori Nazionali di Frascati dell' INFN, Frascati (Italy); Dholakia, Kishan; Mazilu, Michael [University of St. Andrews, School of Physics and Astronomy, St. Andrews (United Kingdom); Diosi, Lajos [Wigner Research Center for Physics, P.O. Box 49, Budapest (Hungary); Doeringshoff, Klaus; Peters, Achim [Humboldt-Universitaet zu Berlin, Institut fuer Physik, Berlin (Germany); Ertmer, Wolfgang; Rasel, Ernst M. [Leibniz Universitaet Hannover, Institut fuer Quantenoptik, Hannover (Germany); Gieseler, Jan; Novotny, Lukas; Rondin, Loic [ETH Zuerich, Photonics Laboratory, Zuerich (Switzerland); Guerlebeck, Norman; Herrmann, Sven; Laemmerzahl, Claus [University of Bremen, Center of Applied Space Technology and Micro Gravity (ZARM), Bremen (Germany); Hechenblaikner, Gerald [Airbus Defence and Space GmbH, Immenstaad (Germany); European Southern Observatory (ESO), Garching bei Muenchen (Germany); Hossenfelder, Sabine [KTH Royal Institute of Technology and Stockholm University, Nordita, Stockholm (Sweden); Kim, Myungshik [Imperial College London, QOLS, Blackett Laboratory, London (United Kingdom); Milburn, Gerard J. [University of Queensland, ARC Centre for Engineered Quantum Systems, Brisbane (Australia); Mueller, Holger [University of California, Department of Physics, Berkeley, CA (United States); Paternostro, Mauro [Queen' s University, Centre for Theoretical Atomic, Molecular and Optical Physics, School of Mathematics and Physics, Belfast (United Kingdom); Pikovski, Igor [Harvard-Smithsonian Center for Astrophysics, ITAMP, Cambridge, MA (United States); Pilan Zanoni, Andre [Airbus Defence and Space GmbH, Immenstaad (Germany); CERN - European Organization for Nuclear Research, EN-STI-TCD, Geneva (Switzerland); Riedel, Charles Jess [Perimeter Institute for Theoretical Physics, Waterloo, ON (Canada); Roura, Albert [Universitaet Ulm, Institut fuer Quantenphysik, Ulm (Germany); Schleich, Wolfgang P. [Universitaet Ulm, Institut fuer Quantenphysik, Ulm (Germany); Texas A and M University Institute for Advanced Study (TIAS), Institute for Quantum Science and Engineering (IQSE), and Department of Physics and Astronomy, College Station, TX (United States); Schmiedmayer, Joerg [Vienna University of Technology, Vienna Center for Quantum Science and Technology, Institute of Atomic and Subatomic Physics, Vienna (Austria); Schuldt, Thilo [Institute of Space Systems, German Aerospace Center (DLR), Bremen (Germany); Schwab, Keith C. [California Institute of Technology, Applied Physics, Pasadena, CA (United States); Tajmar, Martin [Technische Universitaet Dresden, Institut fuer Luft- und Raumfahrttechnik, Dresden (Germany); Tino, Guglielmo M. [Universita di Firenze, Dipartimento di Fisica e Astronomia and LENS, INFN, Sesto Fiorentino, Firenze (Italy); Ulbricht, Hendrik [University of Southampton, Physics and Astronomy, Southampton (United Kingdom); Ursin, Rupert [Austrian Academy of Sciences, Institute of Quantum Optics and Quantum Information (IQOQI), Vienna (Austria); Vedral, Vlatko [University of Oxford, Atomic and Laser Physics, Clarendon Laboratory, Oxford (United Kingdom); National University of Singapore, Center for Quantum Technologies, Singapore (SG)

2016-12-15

Do the laws of quantum physics still hold for macroscopic objects - this is at the heart of Schroedinger's cat paradox - or do gravitation or yet unknown effects set a limit for massive particles? What is the fundamental relation between quantum physics and gravity? Ground-based experiments addressing these questions may soon face limitations due to limited free-fall times and the quality of vacuum and microgravity. The proposed mission Macroscopic Quantum Resonators (MAQRO) may overcome these limitations and allow addressing such fundamental questions. MAQRO harnesses recent developments in quantum optomechanics, high-mass matter-wave interferometry as well as state-of-the-art space technology to push macroscopic quantum experiments towards their ultimate performance limits and to open new horizons for applying quantum technology in space. The main scientific goal is to probe the vastly unexplored 'quantum-classical' transition for increasingly massive objects, testing the predictions of quantum theory for objects in a size and mass regime unachievable in ground-based experiments. The hardware will largely be based on available space technology. Here, we present the MAQRO proposal submitted in response to the 4th Cosmic Vision call for a medium-sized mission (M4) in 2014 of the European Space Agency (ESA) with a possible launch in 2025, and we review the progress with respect to the original MAQRO proposal for the 3rd Cosmic Vision call for a medium-sized mission (M3) in 2010. In particular, the updated proposal overcomes several critical issues of the original proposal by relying on established experimental techniques from high-mass matter-wave interferometry and by introducing novel ideas for particle loading and manipulation. Moreover, the mission design was improved to better fulfill the stringent environmental requirements for macroscopic quantum experiments. (orig.)

Macroscopic sessile tumor architecture is a pathologic feature of biologically aggressive upper tract urothelial carcinoma.

Science.gov (United States)

Fritsche, Hans-Martin; Novara, Giacomo; Burger, Maximilian; Gupta, Amit; Matsumoto, Kazumasa; Kassouf, Wassim; Sircar, Kanishka; Zattoni, Filiberto; Walton, Tom; Tritschler, Stefan; Baba, Shiro; Bastian, Patrick J; Martínez-Salamanca, Juan I; Seitz, Christian; Otto, Wolfgang; Wieland, Wolf Ferdinand; Karakiewicz, Pierre I; Ficarra, Vincenzo; Hartmann, Arndt; Shariat, Shahrokh F

2012-09-01

Macroscopic sessile tumor architecture was associated with adverse outcomes after radical nephroureterectomy (RNU) for upper tract urothelial carcinoma (UTUC). Before inclusion in daily clinical decision-making, the prognostic value of tumor architecture needs to be validated in an independent, external dataset. We tested whether macroscopic tumor architecture improves outcome prediction in an international cohort of patients. We retrospectively studied 754 patients treated with RNU for UTUC without neoadjuvant chemotherapy at 9 centers located in Asia, Canada, and Europe. Tumor architecture was macroscopically categorized as either papillary or sessile. Univariable and multivariable Cox regression analyses were used to address recurrence-free (RFS) and cancer-specific survival (CSS) estimates. Macroscopic sessile architecture was present in 20% of the patients. Its prevalence increased with advancing pathologic stage and it was significantly associated with established features of biologically aggressive UTUC, such as tumor grade, lymph node metastasis, lymphovascular invasion, and concomitant CIS (all P values architecture were 85% and 90%, compared with 58% and 66% for those with macroscopic sessile architecture, respectively (P values architecture was an independent predictor of both RFS (hazard ratio {HR}: 1.5; P = 0.036) and CSS (HR: 1.5; P = 0.03). We confirmed the independent prognostic value of macroscopic tumor architecture in a large, independent, multicenter UTUC cohort. It should be reported in every pathology report and included in post-RNU predictive models in order to refine current clinical decision making regarding follow-up protocol and adjuvant therapy. Copyright © 2012 Elsevier Inc. All rights reserved.

Active Polar Two-Fluid Macroscopic Dynamics

Science.gov (United States)

Pleiner, Harald; Svensek, Daniel; Brand, Helmut R.

2014-03-01

We study the dynamics of systems with a polar dynamic preferred direction. Examples include the pattern-forming growth of bacteria (in a solvent, shoals of fish (moving in water currents), flocks of birds and migrating insects (flying in windy air). Because the preferred direction only exists dynamically, but not statically, the macroscopic variable of choice is the macroscopic velocity associated with the motion of the active units. We derive the macroscopic equations for such a system and discuss novel static, reversible and irreversible cross-couplings connected to this second velocity. We find a normal mode structure quite different compared to the static descriptions, as well as linear couplings between (active) flow and e.g. densities and concentrations due to the genuine two-fluid transport derivatives. On the other hand, we get, quite similar to the static case, a direct linear relation between the stress tensor and the structure tensor. This prominent ``active'' term is responsible for many active effects, meaning that our approach can describe those effects as well. In addition, we also deal with explicitly chiral systems, which are important for many active systems. In particular, we find an active flow-induced heat current specific for the dynamic chiral polar order.

Energetic macroscopic representation and inversion-based control of a CVT-based HEV

NARCIS (Netherlands)

Chouhou, M.; Grée, F.; Jivan, C.; Bouscayrol, A.; Hofman, T.

2014-01-01

A Continuous Variable Transmission (CVT) is introduced in the simulation model of a Hybrid Electric Vehicle (HEV). The CVT-based vehicle simulation and its control are deduced from the Energetic Macroscopic Representation (EMR). Simulations are provided to show the interest of the CVT in term of

Energetic macroscopic representation and inversion- based control of a CVT-based HEV

NARCIS (Netherlands)

Chouhou, M.; Grée, F.; Jivan, C.; Bouscayrol, A.; Hofman, T.

2013-01-01

A Continuous Variable Transmission (CVT) is introduced in the simulation model of a Hybrid Electric Vehicle (HEV). The CVT-based vehicle simulation and its control are deduced from the Energetic Macroscopic Representation (EMR). Simulations are provided to show the interest of the CVT in term of

Self-similar drag reduction in plug-flow of suspensions of macroscopic fibers

NARCIS (Netherlands)

Gillissen, J.J.J.; Hoving, J.P.

2012-01-01

Pipe flow experiments show that turbulent drag reduction in plug-flow of concentrated suspensions of macroscopic fibers is a self-similar function of the wall shear stress over the fiber network yield stress. We model the experimental observations, by assuming a central fiber network plug, whose

Calculations of the magnetic properties of R{sub 2}M{sub 14}B intermetallic compounds (R=rare earth, M=Fe, Co)

Energy Technology Data Exchange (ETDEWEB)

Ito, Masaaki, E-mail: masaaki.ito@neel.cnrs.fr [CNRS, Institut Néel, 25 rue des Martyrs, BP166, 38042 Grenoble (France); University Grenoble Alpes, Institut Néel, 38042 Grenoble (France); Advanced Material Engineering Division, Toyota Motor Corporation, Susono 410-1193 (Japan); Yano, Masao [Advanced Material Engineering Division, Toyota Motor Corporation, Susono 410-1193 (Japan); Dempsey, Nora M. [CNRS, Institut Néel, 25 rue des Martyrs, BP166, 38042 Grenoble (France); University Grenoble Alpes, Institut Néel, 38042 Grenoble (France); Givord, Dominique [CNRS, Institut Néel, 25 rue des Martyrs, BP166, 38042 Grenoble (France); University Grenoble Alpes, Institut Néel, 38042 Grenoble (France); Instituto de Fisica, Universidade Federal do Rio de Janeiro, Rio de Janeiro (Brazil)

2016-02-15

The hard magnetic properties of “R–M–B” (R=rare earth, M=mainly Fe) magnets derive from the specific intrinsic magnetic properties encountered in Fe-rich R{sub 2}M{sub 14}B compounds. Exchange interactions are dominated by the 3d elements, Fe and Co, and may be modeled at the macroscopic scale with good accuracy. Based on classical formulae that relate the anisotropy coefficients to the crystalline electric field parameters and exchange interactions, a simple numerical approach is used to derive the temperature dependence of anisotropy in various R{sub 2}Fe{sub 14}B compounds (R=Pr, Nd, Dy). Remarkably, a unique set of crystal field parameters give fair agreement with the experimentally measured properties of all compounds. This implies reciprocally that the properties of compounds that incorporate a mixture of different rare-earth elements may be predicted accurately. This is of special interest for material optimization that often involves the partial replacement of Nd with another R element and also the substitution of Co for Fe. - Highlights: • Anisotropy constants derived from CEF parameters of R{sub 2}M{sub 14}B compounds (M=Fe, Co). • Anisotropy constants of all R{sub 2}Fe{sub 14}B compounds using unique set of CEF parameters. • Moment non-collinearity in magnetization processes under B{sub app} along hard axis.

Experimental and thermodynamic assessments of substitutions in the AlFeSi, FeMnSi, FeSiZr and AlCaFeSi systems (65 wt % Si) - solidification simulation

International Nuclear Information System (INIS)

Gueneau, C.; Ansara, I.

1994-01-01

The substitutions of Al Si, Fe Mn and Fe Zr in some intermetallic compounds of the Al-Fe-Si, Fe-Mn-Si and Fe-Si-Zr systems are modelled in the Si-rich corner using a two sublattice model. The solidification paths of the studied alloys are determined at equilibrium. The ascalculated phase volume fractions of the alloys are compared to the experimental ones. Finally, a solidification simulation using the Gulliver-Scheil's model is performed in order to explain the formation of some precipitates experimentally observed. (authors). 14 figs., 19 refs

Bayesian nonlinear structural FE model and seismic input identification for damage assessment of civil structures

Science.gov (United States)

Astroza, Rodrigo; Ebrahimian, Hamed; Li, Yong; Conte, Joel P.

2017-09-01

A methodology is proposed to update mechanics-based nonlinear finite element (FE) models of civil structures subjected to unknown input excitation. The approach allows to jointly estimate unknown time-invariant model parameters of a nonlinear FE model of the structure and the unknown time histories of input excitations using spatially-sparse output response measurements recorded during an earthquake event. The unscented Kalman filter, which circumvents the computation of FE response sensitivities with respect to the unknown model parameters and unknown input excitations by using a deterministic sampling approach, is employed as the estimation tool. The use of measurement data obtained from arrays of heterogeneous sensors, including accelerometers, displacement sensors, and strain gauges is investigated. Based on the estimated FE model parameters and input excitations, the updated nonlinear FE model can be interrogated to detect, localize, classify, and assess damage in the structure. Numerically simulated response data of a three-dimensional 4-story 2-by-1 bay steel frame structure with six unknown model parameters subjected to unknown bi-directional horizontal seismic excitation, and a three-dimensional 5-story 2-by-1 bay reinforced concrete frame structure with nine unknown model parameters subjected to unknown bi-directional horizontal seismic excitation are used to illustrate and validate the proposed methodology. The results of the validation studies show the excellent performance and robustness of the proposed algorithm to jointly estimate unknown FE model parameters and unknown input excitations.

Macroscopic networks in the human brain: mapping connectivity in healthy and damaged brains

NARCIS (Netherlands)

Nijhuis, E.H.J.

2013-01-01

The human brain contains a network of interconnected neurons. Recent advances in functional and structural in-vivo magnetic resonance neuroimaging (MRI) techniques have provided opportunities to model the networks of the human brain on a macroscopic scale. This dissertation investigates the

Macroscopic polarization in crystalline dielectrics: the geometric phase approach

International Nuclear Information System (INIS)

Resta, R.

1994-01-01

The macroscopic electric polarization of a crystal is often defined as the dipole of a unit cell. In fact, such a dipole moment is ill defined, and the above definition is incorrect. Looking more closely, the quantity generally measured is differential polarization, defined with respect to a ''reference state'' of the same material. Such differential polarizations include either derivatives of the polarization (dielectric permittivity, Born effective charges, piezoelectricity, pyroelectricity) or finite differences (ferroelectricity). On the theoretical side, the differential concept is basic as well. Owing to continuity, a polarization difference is equivalent to a macroscopic current, which is directly accessible to the theory as a bulk property. Polarization is a quantum phenomenon and cannot be treated with a classical model, particularly whenever delocalized valence electrons are present in the dielectric. In a quantum picture, the current is basically a property of the phase of the wave functions, as opposed to the charge, which is a property of their modulus. An elegant and complete theory has recently been developed by King-Smith and Vanderbilt, in which the polarization difference between any two crystal states--in a null electric field--takes the form of a geometric quantum phase. This gives a comprehensive account of this theory, which is relevant for dealing with transverse-optic phonons, piezoelectricity, and ferroelectricity. Its relation to the established concepts of linear-response theory is also discussed. Within the geometric phase approach, the relevant polarization difference occurs as the circuit integral of a Berry connection (or ''vector potential''), while the corresponding curvature (or ''magnetic field'') provides the macroscopic linear response

Application of damping mechanism model and stacking fault probability in Fe-Mn alloy

International Nuclear Information System (INIS)

Huang, S.K.; Wen, Y.H.; Li, N.; Teng, J.; Ding, S.; Xu, Y.G.

2008-01-01

In this paper, the damping mechanism model of Fe-Mn alloy was analyzed using dislocation theory. Moreover, as an important parameter in Fe-Mn based alloy, the effect of stacking fault probability on the damping capacity of Fe-19.35Mn alloy after deep-cooling or tensile deformation was also studied. The damping capacity was measured using reversal torsion pendulum. The stacking fault probability of γ-austenite and ε-martensite was determined by means of X-ray diffraction (XRD) profile analysis. The microstructure was observed using scanning electronic microscope (SEM). The results indicated that with the strain amplitude increasing above a critical value, the damping capacity of Fe-19.35Mn alloy increased rapidly which could be explained using the breakaway model of Shockley partial dislocations. Deep-cooling and suitable tensile deformation could improve the damping capacity owning to the increasing of stacking fault probability of Fe-19.35Mn alloy

Statistical thermodynamics understanding the properties of macroscopic systems

CERN Document Server

Fai, Lukong Cornelius

2012-01-01

Basic Principles of Statistical PhysicsMicroscopic and Macroscopic Description of StatesBasic PostulatesGibbs Ergodic AssumptionGibbsian EnsemblesExperimental Basis of Statistical MechanicsDefinition of Expectation ValuesErgodic Principle and Expectation ValuesProperties of Distribution FunctionRelative Fluctuation of an Additive Macroscopic ParameterLiouville TheoremGibbs Microcanonical EnsembleMicrocanonical Distribution in Quantum MechanicsDensity MatrixDensity Matrix in Energy RepresentationEntropyThermodynamic FunctionsTemperatureAdiabatic ProcessesPressureThermodynamic IdentityLaws of Th

Macroscopic erosion of divertor and first wall armour in future tokamaks

Science.gov (United States)

Würz, H.; Bazylev, B.; Landman, I.; Pestchanyi, S.; Safronov, V.

2002-12-01

Sputtering, evaporation and macroscopic erosion determine the lifetime of the 'in vessel' armour materials CFC, tungsten and beryllium presently under discussion for future tokamaks. For CFC armour macroscopic erosion means brittle destruction and dust formation whereas for metallic armour melt layer erosion by melt motion and droplet splashing. Available results on macroscopic erosion from hot plasma and e-beam simulation experiments and from tokamaks are critically evaluated and a comprehensive discussion of experimental and numerical macroscopic erosion and its extrapolation to future tokamaks is given. Shielding of divertor armour materials by their own vapor exists during plasma disruptions. The evolving plasma shield protects the armour from high heat loads, absorbs the incoming energy and reradiates it volumetrically thus reducing drastically the deposited energy. As a result, vertical target erosion by vaporization turns out to be of the order of a few microns per disruption event and macroscopic erosion becomes the dominant erosion source.

Macroscopic erosion of divertor and first wall armour in future tokamaks

International Nuclear Information System (INIS)

Wuerz, H.; Bazylev, B.; Landman, I.; Pestchanyi, S.; Safronov, V.

2002-01-01

Sputtering, evaporation and macroscopic erosion determine the lifetime of the 'in vessel' armour materials CFC, tungsten and beryllium presently under discussion for future tokamaks. For CFC armour macroscopic erosion means brittle destruction and dust formation whereas for metallic armour melt layer erosion by melt motion and droplet splashing. Available results on macroscopic erosion from hot plasma and e-beam simulation experiments and from tokamaks are critically evaluated and a comprehensive discussion of experimental and numerical macroscopic erosion and its extrapolation to future tokamaks is given. Shielding of divertor armour materials by their own vapor exists during plasma disruptions. The evolving plasma shield protects the armour from high heat loads, absorbs the incoming energy and reradiates it volumetrically thus reducing drastically the deposited energy. As a result, vertical target erosion by vaporization turns out to be of the order of a few microns per disruption event and macroscopic erosion becomes the dominant erosion source

A simple vibrating sample magnetometer for macroscopic samples

Science.gov (United States)

Lopez-Dominguez, V.; Quesada, A.; Guzmán-Mínguez, J. C.; Moreno, L.; Lere, M.; Spottorno, J.; Giacomone, F.; Fernández, J. F.; Hernando, A.; García, M. A.

2018-03-01

We here present a simple model of a vibrating sample magnetometer (VSM). The system allows recording magnetization curves at room temperature with a resolution of the order of 0.01 emu and is appropriated for macroscopic samples. The setup can be mounted with different configurations depending on the requirements of the sample to be measured (mass, saturation magnetization, saturation field, etc.). We also include here examples of curves obtained with our setup and comparison curves measured with a standard commercial VSM that confirms the reliability of our device.

EIT image reconstruction based on a hybrid FE-EFG forward method and the complete-electrode model.

Science.gov (United States)

Hadinia, M; Jafari, R; Soleimani, M

2016-06-01

This paper presents the application of the hybrid finite element-element free Galerkin (FE-EFG) method for the forward and inverse problems of electrical impedance tomography (EIT). The proposed method is based on the complete electrode model. Finite element (FE) and element-free Galerkin (EFG) methods are accurate numerical techniques. However, the FE technique has meshing task problems and the EFG method is computationally expensive. In this paper, the hybrid FE-EFG method is applied to take both advantages of FE and EFG methods, the complete electrode model of the forward problem is solved, and an iterative regularized Gauss-Newton method is adopted to solve the inverse problem. The proposed method is applied to compute Jacobian in the inverse problem. Utilizing 2D circular homogenous models, the numerical results are validated with analytical and experimental results and the performance of the hybrid FE-EFG method compared with the FE method is illustrated. Results of image reconstruction are presented for a human chest experimental phantom.

Macroscopic quantum tunneling in a dc SQUID

International Nuclear Information System (INIS)

Chen, Y.C.

1986-01-01

The theory of macroscopic quantum tunneling is applied to a current-biased dc SQUID whose dynamics can be described by a two-dimensional mechanical system with a dissipative environment. Based on the phenomenological model proposed by Caldeira and Leggett, the dissipative environment is represented by a set of harmonic oscillators coupling to the system. After integrating out the environmental degrees of freedom, an effective Euclidean action is found for the two-dimensional system. The action is used to provide the quantum tunneling rate formalism for the dc SQUID. Under certain conditions, the tunneling rate reduces to that of a single current-biased Josephson junction with an adjustable effective critical current

Macroscopic local-field effects on photoabsorption processes

International Nuclear Information System (INIS)

Ma Xiaoguang; Gong Yubing; Wang Meishan; Wang Dehua

2008-01-01

The influence of the local-field effect on the photoabsorption cross sections of the atoms which are embedded in the macroscopic medium has been studied by a set of alternative expressions in detail. Some notes on the validity of some different local-field models used to study the photoabsorption cross sections of atoms in condensed matter have been given for the first time. Our results indicate that the local fields can have substantial and different influence on the photoabsorption cross section of atoms in condensed matter for different models. Clausius-Mossotti model and Onsager model have proved to be more reasonable to describe the local field in gas, liquid, or even some simple solid, while Glauber-Lewenstein model probably is wrong in these conditions except for the ideal gas. A procedure which can avoid the errors introduced by Kramers-Kronig transformation has been implemented in this work. This procedure can guarantee that the theoretical studies on the local field effects will not be influenced by the integral instability of the Kramers-Kronig transformation

Macroscopic Description of Pressure-anisotropy-driven Collective Instability in Intense Charged Particle Beams

International Nuclear Information System (INIS)

Strasburg, Sean; Davidson, Ronald C.

2000-01-01

The macroscopic warm-fluid model developed by Lund and Davidson [Phys.Plasmas 5, 3028 (1998)] is used in the smooth-focusing approximation to investigate detailed stability properties of an intense charged particle beam with pressure anisotropy, assuming small-amplitude electrostatic perturbations about a waterbag equilibrium

Efficient and accurate two-scale FE-FFT-based prediction of the effective material behavior of elasto-viscoplastic polycrystals

Science.gov (United States)

Kochmann, Julian; Wulfinghoff, Stephan; Ehle, Lisa; Mayer, Joachim; Svendsen, Bob; Reese, Stefanie

2017-09-01

Recently, two-scale FE-FFT-based methods (e.g., Spahn et al. in Comput Methods Appl Mech Eng 268:871-883, 2014; Kochmann et al. in Comput Methods Appl Mech Eng 305:89-110, 2016) have been proposed to predict the microscopic and overall mechanical behavior of heterogeneous materials. The purpose of this work is the extension to elasto-viscoplastic polycrystals, efficient and robust Fourier solvers and the prediction of micromechanical fields during macroscopic deformation processes. Assuming scale separation, the macroscopic problem is solved using the finite element method. The solution of the microscopic problem, which is embedded as a periodic unit cell (UC) in each macroscopic integration point, is found by employing fast Fourier transforms, fixed-point and Newton-Krylov methods. The overall material behavior is defined by the mean UC response. In order to ensure spatially converged micromechanical fields as well as feasible overall CPU times, an efficient but simple solution strategy for two-scale simulations is proposed. As an example, the constitutive behavior of 42CrMo4 steel is predicted during macroscopic three-point bending tests.

Thermomagnetic writing in Tb-Fe: Modeling and comparison with experiment

International Nuclear Information System (INIS)

Suits, J.C.; Rugar, D.; Lin, C.J.

1988-01-01

Computer model calculations and experimental comparison are presented for thermomagnetic writing in TbFe media. Two models are discussed which are appropriate for two observed types of writing behavior. A ''bubble'' type writing model is found to give good experimental agreement when wall motion processes dominate and the laser-written marks exhibit single-domain behavior. This model accurately accounts for the writing behavior of Tb/sub 0.23/Fe/sub 0.77/. The gradient of the domain-wall energy is found to be an important factor in the writing process and can cause nucleation to be delayed until some cooling has occurred. This results in written domain sizes which are a strong function of the applied bias field. For compositions which exhibit multiple domain writing behavior, a ''nucleation field'' model is found to be appropriate. This model predicts the observed weak dependence of mark size on applied bias field. In addition, the nucleation field model is used to calculate the bias fields which correspond to the onset of writing (onset field) and single-domain mark formation (saturation field)

Modeling 13.3nm Fe XXIII Flare Emissions Using the GOES-R EXIS Instrument

Science.gov (United States)

Rook, H.; Thiemann, E.

2017-12-01

The solar EUV spectrum is dominated by atomic transitions in ionized atoms in the solar atmosphere. As solar flares evolve, plasma temperatures and densities change, influencing abundances of various ions, changing intensities of different EUV wavelengths observed from the sun. Quantifying solar flare spectral irradiance is important for constraining models of Earth's atmosphere, improving communications quality, and controlling satellite navigation. However, high time cadence measurements of flare irradiance across the entire EUV spectrum were not available prior to the launch of SDO. The EVE MEGS-A instrument aboard SDO collected 0.1nm EUV spectrum data from 2010 until 2014, when the instrument failed. No current or future instrument is capable of similar high resolution and time cadence EUV observation. This necessitates a full EUV spectrum model to study EUV phenomena at Earth. It has been recently demonstrated that one hot flare EUV line, such as the 13.3nm Fe XXIII line, can be used to model cooler flare EUV line emissions, filling the role of MEGS-A. Since unblended measurements of Fe XXIII are typically unavailable, a proxy for the Fe XXIII line must be found. In this study, we construct two models of this line, first using the GOES 0.1-0.8nm soft x-ray (SXR) channel as the Fe XXIII proxy, and second using a physics-based model dependent on GOES emission measure and temperature data. We determine that the more sophisticated physics-based model shows better agreement with Fe XXIII measurements, although the simple proxy model also performs well. We also conclude that the high correlation between Fe XXIII emissions and the GOES 0.1-0.8nm band is because both emissions tend to peak near the GOES emission measure peak despite large differences in their contribution functions.

Bioavailability of organically bound Fe to model phytoplankton of the Southern Ocean

Directory of Open Access Journals (Sweden)

C. S. Hassler

2009-10-01

Full Text Available Iron (Fe is known to be mostly bound to organic ligands and to limit primary productivity in the Southern Ocean. It is thus important to investigate the bioavailability of organically bound Fe. In this study, we used four phytoplankton species of the Southern Ocean (Phaeocystis sp., Chaetoceros sp., Fragilariopsis kerguelensis and Thalassiosira antarctica Comber to measure the influence of various organic ligands on Fe solubility and bioavailability. Short-term uptake Fe:C ratios were inversely related to the surface area to volume ratios of the phytoplankton. The ratio of extracellular to intracellular Fe is used to discuss the relative importance of diffusive supply and uptake to control Fe bioavailability. The effect of excess organic ligands on Fe bioavailability cannot be solely explained by their effect on Fe solubility. For most strains studied, the bioavailability of Fe can be enhanced relative to inorganic Fe in the presence of porphyrin, catecholate siderophore and saccharides whereas it was decreased in presence of hydroxamate siderophore and organic amine. For Thalassiosira, iron bioavailability was not affected by the presence of porphyrin, catecholate siderophore and saccharides. The enhancement of Fe bioavailability in presence of saccharides is presented as the result from both the formation of bioavailable (or chemically labile organic form of Fe and the stabilisation of Fe within the dissolved phase. Given the ubiquitous presence of saccharides in the ocean, these compounds might represent an important factor to control the basal level of soluble and bioavailable Fe. Results show that the use of model phytoplankton is promising to improve mechanistic understanding of Fe bioavailability and primary productivity in HNLC regions of the ocean.

On monogamy of non-locality and macroscopic averages: examples and preliminary results

Directory of Open Access Journals (Sweden)

Rui Soares Barbosa

2014-12-01

Full Text Available We explore a connection between monogamy of non-locality and a weak macroscopic locality condition: the locality of the average behaviour. These are revealed by our analysis as being two sides of the same coin. Moreover, we exhibit a structural reason for both in the case of Bell-type multipartite scenarios, shedding light on but also generalising the results in the literature [Ramanathan et al., Phys. Rev. Lett. 107, 060405 (2001; Pawlowski & Brukner, Phys. Rev. Lett. 102, 030403 (2009]. More specifically, we show that, provided the number of particles in each site is large enough compared to the number of allowed measurement settings, and whatever the microscopic state of the system, the macroscopic average behaviour is local realistic, or equivalently, general multipartite monogamy relations hold. This result relies on a classical mathematical theorem by Vorob'ev [Theory Probab. Appl. 7(2, 147-163 (1962] about extending compatible families of probability distributions defined on the faces of a simplicial complex – in the language of the sheaf-theoretic framework of Abramsky & Brandenburger [New J. Phys. 13, 113036 (2011], such families correspond to no-signalling empirical models, and the existence of an extension corresponds to locality or non-contextuality. Since Vorob'ev's theorem depends solely on the structure of the simplicial complex, which encodes the compatibility of the measurements, and not on the specific probability distributions (i.e. the empirical models, our result about monogamy relations and locality of macroscopic averages holds not just for quantum theory, but for any empirical model satisfying the no-signalling condition. In this extended abstract, we illustrate our approach by working out a couple of examples, which convey the intuition behind our analysis while keeping the discussion at an elementary level.

Triboelectricity: macroscopic charge patterns formed by self-arraying ions on polymer surfaces.

Science.gov (United States)

Burgo, Thiago A L; Ducati, Telma R D; Francisco, Kelly R; Clinckspoor, Karl J; Galembeck, Fernando; Galembeck, Sergio E

2012-05-15

Tribocharged polymers display macroscopically patterned positive and negative domains, verifying the fractal geometry of electrostatic mosaics previously detected by electric probe microscopy. Excess charge on contacting polyethylene (PE) and polytetrafluoroethylene (PTFE) follows the triboelectric series but with one caveat: net charge is the arithmetic sum of patterned positive and negative charges, as opposed to the usual assumption of uniform but opposite signal charging on each surface. Extraction with n-hexane preferentially removes positive charges from PTFE, while 1,1-difluoroethane and ethanol largely remove both positive and negative charges. Using suitable analytical techniques (electron energy-loss spectral imaging, infrared microspectrophotometry and carbonization/colorimetry) and theoretical calculations, the positive species were identified as hydrocarbocations and the negative species were identified as fluorocarbanions. A comprehensive model is presented for PTFE tribocharging with PE: mechanochemical chain homolytic rupture is followed by electron transfer from hydrocarbon free radicals to the more electronegative fluorocarbon radicals. Polymer ions self-assemble according to Flory-Huggins theory, thus forming the experimentally observed macroscopic patterns. These results show that tribocharging can only be understood by considering the complex chemical events triggered by mechanical action, coupled to well-established physicochemical concepts. Patterned polymers can be cut and mounted to make macroscopic electrets and multipoles.

Are the toroidal shapes of heavy-ion reactions seen in macroscopic drop collisions?

International Nuclear Information System (INIS)

Menchaca R, A.; Borunda, M.; Hidalgo, S.S.; Huidobro, F.; Michaelian, K.; Perez, A.; Rodriguez, V.

1996-01-01

Experiments involving the collisions of water, and mineral oil, drops are reported. The aim is to search for toroidal configurations predicted by, both, macroscopic fluid dynamic and nuclear models. Instead, we find the formation of thin liquid sheets surrounded by a somewhat thicker rim presenting a fingering instability. (Author)

Repositioning the knee joint in human body FE models using a graphics-based technique.

Science.gov (United States)

Jani, Dhaval; Chawla, Anoop; Mukherjee, Sudipto; Goyal, Rahul; Vusirikala, Nataraju; Jayaraman, Suresh

2012-01-01

Human body finite element models (FE-HBMs) are available in standard occupant or pedestrian postures. There is a need to have FE-HBMs in the same posture as a crash victim or to be configured in varying postures. Developing FE models for all possible positions is not practically viable. The current work aims at obtaining a posture-specific human lower extremity model by reconfiguring an existing one. A graphics-based technique was developed to reposition the lower extremity of an FE-HBM by specifying the flexion-extension angle. Elements of the model were segregated into rigid (bones) and deformable components (soft tissues). The bones were rotated about the flexion-extension axis followed by rotation about the longitudinal axis to capture the twisting of the tibia. The desired knee joint movement was thus achieved. Geometric heuristics were then used to reposition the skin. A mapping defined over the space between bones and the skin was used to regenerate the soft tissues. Mesh smoothing was then done to augment mesh quality. The developed method permits control over the kinematics of the joint and maintains the initial mesh quality of the model. For some critical areas (in the joint vicinity) where element distortion is large, mesh smoothing is done to improve mesh quality. A method to reposition the knee joint of a human body FE model was developed. Repositions of a model from 9 degrees of flexion to 90 degrees of flexion in just a few seconds without subjective interventions was demonstrated. Because the mesh quality of the repositioned model was maintained to a predefined level (typically to the level of a well-made model in the initial configuration), the model was suitable for subsequent simulations.

Macroscopic transport by synthetic molecular machines

NARCIS (Netherlands)

Berna, J; Leigh, DA; Lubomska, M; Mendoza, SM; Perez, EM; Rudolf, P; Teobaldi, G; Zerbetto, F

Nature uses molecular motors and machines in virtually every significant biological process, but demonstrating that simpler artificial structures operating through the same gross mechanisms can be interfaced with - and perform physical tasks in - the macroscopic world represents a significant hurdle

Brillouin light scattering study of spin waves in NiFe/Co exchange spring bilayer films

Energy Technology Data Exchange (ETDEWEB)

Haldar, Arabinda; Banerjee, Chandrima; Laha, Pinaki; Barman, Anjan, E-mail: abarman@bose.res.in [Thematic Unit of Excellence on Nanodevice Technology, Department of Condensed Matter Physics and Material Sciences, S. N. Bose National Centre for Basic Sciences, Kolkata 700098 (India)

2014-04-07

Spin waves are investigated in Permalloy(Ni{sub 80}Fe{sub 20})/Cobalt(Co) exchange spring bilayer thin films using Brillouin light scattering (BLS) experiment. The magnetic hysteresis loops measured by magneto-optical Kerr effect show a monotonic decrease in coercivity of the bilayer films with increasing Py thickness. BLS study shows two distinct modes, which are modelled as Damon-Eshbach and perpendicular standing wave modes. Linewidths of the frequency peaks are found to increase significantly with decreasing Py layer thickness. Interfacial roughness causes to fluctuate exchange coupling at the nanoscale regimes and the effect is stronger for thinner Py films. A quantitative analysis of the magnon linewidths shows the presence of strong local exchange coupling field which is much larger compared to macroscopic exchange field.

Macroscopically constrained Wang-Landau method for systems with multiple order parameters and its application to drawing complex phase diagrams

Science.gov (United States)

Chan, C. H.; Brown, G.; Rikvold, P. A.

2017-05-01

A generalized approach to Wang-Landau simulations, macroscopically constrained Wang-Landau, is proposed to simulate the density of states of a system with multiple macroscopic order parameters. The method breaks a multidimensional random-walk process in phase space into many separate, one-dimensional random-walk processes in well-defined subspaces. Each of these random walks is constrained to a different set of values of the macroscopic order parameters. When the multivariable density of states is obtained for one set of values of fieldlike model parameters, the density of states for any other values of these parameters can be obtained by a simple transformation of the total system energy. All thermodynamic quantities of the system can then be rapidly calculated at any point in the phase diagram. We demonstrate how to use the multivariable density of states to draw the phase diagram, as well as order-parameter probability distributions at specific phase points, for a model spin-crossover material: an antiferromagnetic Ising model with ferromagnetic long-range interactions. The fieldlike parameters in this model are an effective magnetic field and the strength of the long-range interaction.

Seismic scanning tunneling macroscope - Theory

KAUST Repository

Schuster, Gerard T.

2012-09-01

We propose a seismic scanning tunneling macroscope (SSTM) that can detect the presence of sub-wavelength scatterers in the near-field of either the source or the receivers. Analytic formulas for the time reverse mirror (TRM) profile associated with a single scatterer model show that the spatial resolution limit to be, unlike the Abbe limit of λ/2, independent of wavelength and linearly proportional to the source-scatterer separation as long as the point scatterer is in the near-field region; if the sub-wavelength scatterer is a spherical impedance discontinuity then the resolution will also be limited by the radius of the sphere. Therefore, superresolution imaging can be achieved as the scatterer approaches the source. This is analogous to an optical scanning tunneling microscope that has sub-wavelength resolution. Scaled to seismic frequencies, it is theoretically possible to extract 100 Hz information from 20 Hz data by imaging of near-field seismic energy.

Seismic scanning tunneling macroscope - Theory

KAUST Repository

Schuster, Gerard T.; Hanafy, Sherif M.; Huang, Yunsong

2012-01-01

We propose a seismic scanning tunneling macroscope (SSTM) that can detect the presence of sub-wavelength scatterers in the near-field of either the source or the receivers. Analytic formulas for the time reverse mirror (TRM) profile associated with a single scatterer model show that the spatial resolution limit to be, unlike the Abbe limit of λ/2, independent of wavelength and linearly proportional to the source-scatterer separation as long as the point scatterer is in the near-field region; if the sub-wavelength scatterer is a spherical impedance discontinuity then the resolution will also be limited by the radius of the sphere. Therefore, superresolution imaging can be achieved as the scatterer approaches the source. This is analogous to an optical scanning tunneling microscope that has sub-wavelength resolution. Scaled to seismic frequencies, it is theoretically possible to extract 100 Hz information from 20 Hz data by imaging of near-field seismic energy.

A physics-based crystallographic modeling framework for describing the thermal creep behavior of Fe-Cr alloys

Energy Technology Data Exchange (ETDEWEB)

Wen, Wei [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Capolungo, Laurent [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Patra, Anirban [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Tome, Carlos [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-02-02

This Report addresses the Milestone M2MS-16LA0501032 of NEAMS Program (“Develop hardening model for FeCrAl cladding), with a deadline of 09/30/2016. Here we report a constitutive law for thermal creep of FeCrAl. This Report adds to and complements the one for Milestone M3MS-16LA0501034 (“Interface hardening models with MOOSE-BISON”), where we presented a hardening law for irradiated FeCrAl. The last component of our polycrystal-based constitutive behavior, namely, an irradiation creep model for FeCrAl, will be developed as part of the FY17 Milestones, and the three regimes will be coupled and interfaced with MOOSE-BISON.

Stress control in electrodeposited CoFe films—Experimental study and analytical model

International Nuclear Information System (INIS)

Brankovic, Stanko R.; Kagajwala, Burhanuddin; George, Jinnie; Majkic, Goran; Stafford, Gery; Ruchhoeft, Paul

2012-01-01

Work investigating the effect of saccharin as an additive on growth stress and structure of electrodeposited CoFe films is presented. The saccharin concentrations were in the range between 0 g L −1 and 1.5 g L −1 . The stress measurements are performed in situ during electrodeposition of CoFe films using cantilever-bending method (curvature measurements). The structure of CoFe films was studied by transmission electron microscopy and X-ray diffraction. Results show that growth stress is a decreasing function of saccharin concentration. No appreciable change in composition, grain size, orientation or texture of CoFe films are observed with increasing saccharin content in solution. The growth stress dependence on saccharin concentration is discussed within the framework of analytical model, which directly links the observed stress decrease with the apparent saccharin coverage of the CoFe film surface during the electrodeposition process.

Macroscopic self-consistent model for external-reflection near-field microscopy

International Nuclear Information System (INIS)

Berntsen, S.; Bozhevolnaya, E.; Bozhevolnyi, S.

1993-01-01

The self-consistent macroscopic approach based on the Maxwell equations in two-dimensional geometry is developed to describe tip-surface interaction in external-reflection near-field microscopy. The problem is reduced to a single one-dimensional integral equation in terms of the Fourier components of the field at the plane of the sample surface. This equation is extended to take into account a pointlike scatterer placed on the sample surface. The power of light propagating toward the detector as the fiber mode is expressed by using the self-consistent field at the tip surface. Numerical results for trapezium-shaped tips are presented. The authors show that the sharper tip and the more confined fiber mode result in better resolution of the near-field microscope. Moreover, it is found that the tip-surface distance should not be too small so that better resolution is ensured. 14 refs., 10 figs

Towards understanding of magnetization reversal in Nd-Fe-B nanocomposites: analysis by high-throughput micromagnetic simulations

Science.gov (United States)

Erokhin, Sergey; Berkov, Dmitry; Ito, Masaaki; Kato, Akira; Yano, Masao; Michels, Andreas

2018-03-01

We demonstrate how micromagnetic simulations can be employed in order to characterize and analyze the magnetic microstructure of nanocomposites. For the example of nanocrystalline Nd-Fe-B, which is a potential material for future permanent-magnet applications, we have compared three different models for the micromagnetic analysis of this material class: (i) a description of the nanocomposite microstructure in terms of Stoner-Wohlfarth particles with and without the magnetodipolar interaction; (ii) a model based on the core-shell representation of the nanograins; (iii) the latter model including a contribution of superparamagnetic clusters. The relevant parameter spaces have been systematically scanned with the aim to establish which micromagnetic approach can most adequately describe experimental data for this material. According to our results, only the last, most sophisticated model is able to provide an excellent agreement with the measured hysteresis loop. The presented methodology is generally applicable to multiphase magnetic nanocomposites and it highligths the complex interrelationship between the microstructure, magnetic interactions, and the macroscopic magnetic properties.

Model's sparse representation based on reduced mixed GMsFE basis methods

Energy Technology Data Exchange (ETDEWEB)

Jiang, Lijian, E-mail: ljjiang@hnu.edu.cn [Institute of Mathematics, Hunan University, Changsha 410082 (China); Li, Qiuqi, E-mail: qiuqili@hnu.edu.cn [College of Mathematics and Econometrics, Hunan University, Changsha 410082 (China)

2017-06-01

In this paper, we propose a model's sparse representation based on reduced mixed generalized multiscale finite element (GMsFE) basis methods for elliptic PDEs with random inputs. A typical application for the elliptic PDEs is the flow in heterogeneous random porous media. Mixed generalized multiscale finite element method (GMsFEM) is one of the accurate and efficient approaches to solve the flow problem in a coarse grid and obtain the velocity with local mass conservation. When the inputs of the PDEs are parameterized by the random variables, the GMsFE basis functions usually depend on the random parameters. This leads to a large number degree of freedoms for the mixed GMsFEM and substantially impacts on the computation efficiency. In order to overcome the difficulty, we develop reduced mixed GMsFE basis methods such that the multiscale basis functions are independent of the random parameters and span a low-dimensional space. To this end, a greedy algorithm is used to find a set of optimal samples from a training set scattered in the parameter space. Reduced mixed GMsFE basis functions are constructed based on the optimal samples using two optimal sampling strategies: basis-oriented cross-validation and proper orthogonal decomposition. Although the dimension of the space spanned by the reduced mixed GMsFE basis functions is much smaller than the dimension of the original full order model, the online computation still depends on the number of coarse degree of freedoms. To significantly improve the online computation, we integrate the reduced mixed GMsFE basis methods with sparse tensor approximation and obtain a sparse representation for the model's outputs. The sparse representation is very efficient for evaluating the model's outputs for many instances of parameters. To illustrate the efficacy of the proposed methods, we present a few numerical examples for elliptic PDEs with multiscale and random inputs. In particular, a two-phase flow model in

The association between histological, macroscopic and magnetic resonance imaging assessed synovitis in end-stage knee osteoarthritis

DEFF Research Database (Denmark)

Riis, R G C; Gudbergsen, H; Simonsen, O

2017-01-01

the DCE-MRI variable MExNvoxel (surrogate of the volume and degree of synovitis) and the macroscopic score showed correlations above the pre-specified threshold for acceptance with histological inflammation. The maximum R2-value obtained in Model 1 was R2 = 0.39. In Model 2, where the CE......-MRI-variables were added, the highest R2 = 0.52. In Model 3, a four-variable model consisting of the gender, one CE-MRI and two DCE-MRI-variables yielded a R2 = 0.71. CONCLUSION: DCE-MRI is correlated with histological synovitis in end-stage KOA and the combination of CE and DCE-MRI may be a useful, non......-enhanced magnetic resonance imaging (CE-MRI) and dynamic contrast-enhanced (DCE)-MRI prior to (TKR) and correlated with microscopic and macroscopic assessments of synovitis obtained intraoperatively. Multiple bivariate correlations were used with a pre-specified threshold of 0.70 for significance. Also, multiple...

Length-Scale-Dependent Phase Transformation of LiFePO4 : An In situ and Operando Study Using Micro-Raman Spectroscopy and XRD.

Science.gov (United States)

Siddique, N A; Salehi, Amir; Wei, Zi; Liu, Dong; Sajjad, Syed D; Liu, Fuqiang

2015-08-03

The charge and discharge of lithium ion batteries are often accompanied by electrochemically driven phase-transformation processes. In this work, two in situ and operando methods, that is, micro-Raman spectroscopy and X-ray diffraction (XRD), have been combined to study the phase-transformation process in LiFePO4 at two distinct length scales, namely, particle-level scale (∼1 μm) and macroscopic scale (∼several cm). In situ Raman studies revealed a discrete mode of phase transformation at the particle level. Besides, the preferred electrochemical transport network, particularly the carbon content, was found to govern the sequence of phase transformation among particles. In contrast, at the macroscopic level, studies conducted at four different discharge rates showed a continuous but delayed phase transformation. These findings uncovered the intricate phase transformation in LiFePO4 and potentially offer valuable insights into optimizing the length-scale-dependent properties of battery materials. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Spectroscopic properties of Fe2+ ions at tetragonal sites-Crystal field effects and microscopic modeling of spin Hamiltonian parameters for Fe2+ (S=2) ions in K2FeF4 and K2ZnF4

International Nuclear Information System (INIS)

Rudowicz, C.; Piwowarska, D.

2011-01-01

Magnetic and spectroscopic properties of the planar antiferromagnet K 2 FeF 4 are determined by the Fe 2+ ions at tetragonal sites. The two-dimensional easy-plane anisotropy exhibited by K 2 FeF 4 is due to the zero field splitting (ZFS) terms arising from the orbital singlet ground state of Fe 2+ ions with the spin S=2. To provide insight into the single-ion magnetic anisotropy of K 2 FeF 4 , the crystal field theory and the microscopic spin Hamiltonian (MSH) approach based on the tensor method is adopted. Survey of available experimental data on the crystal field energy levels and free-ion parameters for Fe 2+ ions in K 2 FeF 4 and related compounds is carried out to provide input for microscopic modeling of the ZFS parameters and the Zeeman electronic ones. The ZFS parameters are expressed in the extended Stevens notation and include contributions up to the fourth-order using as perturbation the spin-orbit and electronic spin-spin couplings within the tetragonal crystal field states of the ground 5 D multiplet. Modeling of the ZFS parameters and the Zeeman electronic ones is carried out. Variation of these parameters is studied taking into account reasonable ranges of the microscopic ones, i.e. the spin-orbit and spin-spin coupling constants, and the energy level splittings, suitable for Fe 2+ ions in K 2 FeF 4 and Fe 2+ :K 2 ZnF 4 . Conversions between the ZFS parameters in the extended Stevens notation and the conventional ones are considered to enable comparison with the data of others. Comparative analysis of the MSH formulas derived earlier and our more complete ones indicates the importance of terms omitted earlier as well as the fourth-order ZFS parameters and the spin-spin coupling related contributions. The results may be useful also for Fe 2+ ions at axial symmetry sites in related systems, i.e. Fe:K 2 MnF 4 , Rb 2 Co 1-x Fe x F 4 , Fe 2+ :Rb 2 CrCl 4 , and Fe 2+ :Rb 2 ZnCl 4 . - Highlights: → Truncated zero field splitting (ZFS) terms for Fe 2+ in K

Optimization of Fe2+ supplement in anaerobic digestion accounting for the Fe-bioavailability.

Science.gov (United States)

Cai, Yafan; Zhao, Xiaoling; Zhao, Yubin; Wang, Hongliang; Yuan, Xufeng; Zhu, Wanbin; Cui, Zongjun; Wang, Xiaofen

2018-02-01

Fe is widely used as an additive in anaerobic digestion, but its bioavailability and the mechanism by which it enhances digestion are unclear. In this study, sequential extraction was used to measure Fe bioavailability, while biochemical parameters, kinetics model and Q-PCR (fluorescence quantitative PCR) were used to explore its mechanism of stimulation. The results showed that sequential extraction is a suitable method to assess the anaerobic system bioavailability of Fe, which is low and fluctuates to a limited extent (1.7 to -3.1wt%), indicating that it would be easy for Fe levels to be insufficient. Methane yield increased when the added Fe 2+ was 10-500mg/L. Appropriate amounts of Fe 2+ accelerated the decomposition of rice straw and facilitated methanogen metabolism, thereby improving reactor performance. The modified Gompertz model better fitted the results than the first-order kinetic model. Feasibility analysis showed that addition of Fe 2+ at ≤50mg/L was suitable. Copyright © 2017. Published by Elsevier Ltd.

Macroscopic realism and quantum measurement: measurers as a natural kind

International Nuclear Information System (INIS)

Jaeger, Gregg

2014-01-01

The notion of macroscopic realism has been used in attempts to achieve consistency between physics and everyday experience and to locate some boundary between the realms of classical mechanics and quantum meachanics. Its ostensibly underlying conceptual components, realism and macroscopicity, have most often appeared in the foundations of physics in relation to quantum measurement: reality became a prominent topic of discussion in quantum physics after the notion of element of reality was defined and used by Einstein, Podolsky and Rosen in that context, and macroscopicity is often explicitly assumed to be an essential property of any measuring apparatus. However, macroscopicity turns out to be a rather vaguer and less consistently understood notion than typically assumed by physicists who have not explicitly explored the notion themselves. For this reason, it behooves those investigating the foundations of quantum mechanics from a realist perspective to look for alternative notions for grounding quantum measurement. Here, the merits of treating the measuring instrument as a ‘natural kind’ as a means of avoiding anthropocentrism in the foundations of quantum measurement are pointed out as a means of advancing quantum measurement theory. (paper)

Redox reactions of [FeFe]-hydrogenase models containing an internal amine and a pendant phosphine.

Science.gov (United States)

Zheng, Dehua; Wang, Mei; Chen, Lin; Wang, Ning; Sun, Licheng

2014-02-03

A diiron dithiolate complex with a pendant phosphine coordinated to one of the iron centers, [(μ-SCH2)2N(CH2C6H4-o-PPh2){Fe2(CO)5}] (1), was prepared and structurally characterized. The pendant phosphine is dissociated together with a CO ligand in the presence of excess PMe3, to afford [(μ-SCH2)2N(CH2C6H4-o-PPh2){Fe(CO)2(PMe3)}2] (2). Redox reactions of 2 and related complexes were studied in detail by in situ IR spectroscopy. A series of new Fe(II)Fe(I) ([3](+) and [6](+)), Fe(II)Fe(II) ([4](2+)), and Fe(I)Fe(I) (5) complexes relevant to Hox, Hox(CO), and Hred states of the [FeFe]-hydrogenase active site were detected. Among these complexes, the molecular structures of the diferrous complex [4](2+) with the internal amine and the pendant phosphine co-coordinated to the same iron center and the triphosphine diiron complex 5 were determined by X-ray crystallography. To make a comparison, the redox reactions of an analogous complex, [(μ-SCH2)2N(CH2C6H5){Fe(CO)2(PMe3)}2] (7), were also investigated by in situ IR spectroscopy in the absence or presence of extrinsic PPh3, which has no influence on the oxidation reaction of 7. The pendant phosphine in the second coordination sphere makes the redox reaction of 2 different from that of its analogue 7.

Bell-inequality tests with macroscopic entangled states of light

Energy Technology Data Exchange (ETDEWEB)

Stobinska, M. [Max Planck Institute for the Science of Light, Erlangen (Germany); Institute for Theoretical Physics II, Erlangen-Nuernberg University, Erlangen (Germany); Sekatski, P.; Gisin, N. [Group of Applied Physics, University of Geneva, Geneva (Switzerland); Buraczewski, A. [Faculty of Electronics and Information Technology, Warsaw University of Technology, Warsaw (Poland); Leuchs, G. [Max Planck Institute for the Science of Light, Erlangen (Germany); Institute for Optics, Information and Photonics, Erlangen-Nuernberg University, Erlangen (Germany)

2011-09-15

Quantum correlations may violate the Bell inequalities. Most experimental schemes confirming this prediction have been realized in all-optical Bell tests suffering from the detection loophole. Experiments which simultaneously close this loophole and the locality loophole are highly desirable and remain challenging. An approach to loophole-free Bell tests is based on amplification of the entangled photons (i.e., on macroscopic entanglement), for which an optical signal should be easy to detect. However, the macroscopic states are partially indistinguishable by classical detectors. An interesting idea to overcome these limitations is to replace the postselection by an appropriate preselection immediately after the amplification. This is in the spirit of state preprocessing revealing hidden nonlocality. Here, we examine one of the possible preselections, but the presented tools can be used for analysis of other schemes. Filtering methods making the macroscopic entanglement useful for Bell tests and quantum protocols are the subject of an intensive study in the field nowadays.

XMCD study of the local magnetic and structural properties of microcrystalline NdFeB-based alloys

Science.gov (United States)

Menushenkov, A. P.; Ivanov, V. G.; Shchetinin, I. V.; Zhukov, D. G.; Menushenkov, V. P.; Rudnev, I. A.; Ivanov, A. A.; Wilhelm, F.; Rogalev, A.; Savchenko, A. G.

2017-01-01

X-ray Magnetic Circular Dichroism (XMCD) technique was used to investigate local magnetic properties of microcrystalline Nd10.4Zr4.0Fe79.2B6.4 samples, oriented along either easy or hard magnetization direction. The Nd L 2,3 and Fe K edge XMCD spectra were measured at room temperature under a magnetic field of T. A very strong dependence of XMCD spectra on the sample orientation has been observed at the Nd L 2,3-edges, whereas the Fe K-edge XMCD spectra are found to be practically isotropic. This result indicates that magnetic anisotropy of NdFeB-based alloys originates from the Nd sublattice. In addition, element selective magnetization curves have been recorded by measuring the intensity of XMCD signals as a function of an applied magnetic field up to T. To find a correlation between local and macroscopic magnetic properties of studied samples we compared these data with magnetization curves, measured by vibrating sample magnetometer up to T. Results are important for understanding the origin of high-coercivity state in NdFeB-based intermetallic compounds.

Macroscopic quantum electrodynamics of high-Q cavities

International Nuclear Information System (INIS)

Khanbekyan, Mikayel

2009-01-01

In this thesis macroscopic quantum electrodynamics in linear media was applied in order to develop an universally valid quantum theory for the description of the interaction of the electromagnetic field with atomic sources in high-Q cavities. In this theory a complete description of the characteristics of the emitted radiation is given. The theory allows to show the limits of the applicability of the usually applied theory. In order to establish an as possible generally valid theory first the atom-field interaction was studied in the framework of macroscopic quantum electrodynamics in dispersive and absorptive media. In order to describe the electromagnetic field from Maxwell's equations was started, whereby the noise-current densities, which are connected with the absorption of the medium, were included. The solution of these equations expresses the electromagnetic field variables by the noise-current densities by means of Green's tensor of the macroscopic Maxwell equations. The explicit quantization is performed by means of the noise-current densities, whereby a diagonal Hamiltonian is introduced, which then guarantees the time development according to Maxwell's equation and the fulfillment of the fundamental simultaneous commutation relations of the field variables. In the case of the interaction of the medium-supported field with atoms the Hamiltonian must be extended by atom-field interactions energies, whereby the canonical coupling schemes of the minimal or multipolar coupling can be used. The dieelectric properties of the material bodies as well as their shape are coded in the Green tensor of the macroscopic Maxwell equations. As preparing step first the Green tensor was specified in order to derive three-dimensional input-output relations for the electromagnetic field operators on a plane multilayer structure. Such a general dewscription of the electromagnetic field allows the inclusion both of dispersion and absorption of the media and the possible

Test of level density models from reactions of Li6 on Fe58 and Li7 on Fe57

Science.gov (United States)

Oginni, B. M.; Grimes, S. M.; Voinov, A. V.; Adekola, A. S.; Brune, C. R.; Carter, D. E.; Heinen, Z.; Jacobs, D.; Massey, T. N.; O'Donnell, J. E.; Schiller, A.

2009-09-01

The reactions of Li6 on Fe58 and Li7 on Fe57 have been studied at 15 MeV beam energy. These two reactions produce the same compound nucleus, Cu64. The charged particle spectra were measured at backward angles. The data obtained have been compared with Hauser-Feshbach model calculations. The level density parameters of Ni63 and Co60 have been obtained from the particle evaporation spectra. We also find contributions from the break up of the lithium projectiles to the low energy region of the α spectra.

Astronaut Bone Medical Standards Derived from Finite Element (FE) Models of QCT Scans from Population Studies

Science.gov (United States)

Sibonga, J. D.; Feiveson, A. H.

2014-01-01

This work was accomplished in support of the Finite Element [FE] Strength Task Group, NASA Johnson Space Center [JSC], Houston, TX. This group was charged with the task of developing rules for using finite-element [FE] bone-strength measures to construct operating bands for bone health that are relevant to astronauts following exposure to spaceflight. FE modeling is a computational tool used by engineers to estimate the failure loads of complex structures. Recently, some engineers have used this tool to characterize the failure loads of the hip in population studies that also monitored fracture outcomes. A Directed Research Task was authorized in July, 2012 to investigate FE data from these population studies to derive these proposed standards of bone health as a function of age and gender. The proposed standards make use of an FE-based index that integrates multiple contributors to bone strength, an expanded evaluation that is critical after an astronaut is exposed to spaceflight. The current index of bone health used by NASA is the measurement of areal BMD. There was a concern voiced by a research and clinical advisory panel that the sole use of areal BMD would be insufficient to fully evaluate the effects of spaceflight on the hip. Hence, NASA may not have a full understanding of fracture risk, both during and after a mission, and may be poorly estimating in-flight countermeasure efficacy. The FE Strength Task Group - composed of principal investigators of the aforementioned population studies and of FE modelers -donated some of its population QCT data to estimate of hip bone strength by FE modeling for this specific purpose. Consequently, Human Health Countermeasures [HHC] has compiled a dataset of FE hip strengths, generated by a single FE modeling approach, from human subjects (approx.1060) with ages covering the age range of the astronauts. The dataset has been analyzed to generate a set of FE strength cutoffs for the following scenarios: a) Qualify an

Observation of squeezed light and quantum description of the macroscopical body movement

International Nuclear Information System (INIS)

Bykov, V.P.

1992-01-01

The possibility of a nondemolition measurement (observation) of macroscopical objects in widely distributed quantum mechanical states arises from the fact of the squezzed light observation. Macroscopical bodies -bodies of classical mechanics - are usually in states with narrow wave packets. It is shown that the absence of macroscopical bodies in widely distributed states is due to the focusing influence of the body's gravity field on its wave packet. An evidence that the gravity is essential in the classic limit of quantum mechanics is given. (author). 14 refs, 7 figs

Macroscopic quantum waves in non local theories

International Nuclear Information System (INIS)

Ventura, I.

1979-01-01

By means of an expansion in the density, it is shown that Macroscopic Quantum Waves also appear in non local theories. This result reinforces the conjecture that these waves should exist in liquid 4 He [pt

In regard to the question of macroscopic differential diagnosis of alcoholic and dilated cardiomyopathy

Directory of Open Access Journals (Sweden)

O. V. Sokolova

2014-01-01

Full Text Available The differential diagnosis of alcoholic and dilated cardiomyopathy according to the macroscopic data is represented in the article. The identity of macroscopic changes of heart, related to alcoholic and dilated cardiomyopathy, cannot diagnose these diseases based on the macroscopic characteristics; especially if there are no other visceral manifestations typical for chronic alcoholism.

Cloud Macroscopic Organization: Order Emerging from Randomness

Science.gov (United States)

Yuan, Tianle

2011-01-01

Clouds play a central role in many aspects of the climate system and their forms and shapes are remarkably diverse. Appropriate representation of clouds in climate models is a major challenge because cloud processes span at least eight orders of magnitude in spatial scales. Here we show that there exists order in cloud size distribution of low-level clouds, and that it follows a power-law distribution with exponent gamma close to 2. gamma is insensitive to yearly variations in environmental conditions, but has regional variations and land-ocean contrasts. More importantly, we demonstrate this self-organizing behavior of clouds emerges naturally from a complex network model with simple, physical organizing principles: random clumping and merging. We also demonstrate symmetry between clear and cloudy skies in terms of macroscopic organization because of similar fundamental underlying organizing principles. The order in the apparently complex cloud-clear field thus has its root in random local interactions. Studying cloud organization with complex network models is an attractive new approach that has wide applications in climate science. We also propose a concept of cloud statistic mechanics approach. This approach is fully complementary to deterministic models, and the two approaches provide a powerful framework to meet the challenge of representing clouds in our climate models when working in tandem.

Micromagnetic simulation of anisotropic grain boundary diffusion for sintered Nd-Fe-B magnets

Science.gov (United States)

Li, W.; Zhou, Q.; Zhao, L. Z.; Wang, Q. X.; Zhong, X. C.; Liu, Z. W.

2018-04-01

A systematic investigation on the anisotropic grain boundary diffusion in sintered Nd-Fe-B magnets is carried out by micromagnetic simulation. The results indicate that the critical reason for the anisotropic diffusion effect is not the difference in the amount of Dy diffused along different directions but the macroscopic demagnetizing field. The diffusion parallel to the easy axis from both pole surfaces of the magnet can increase the nucleation fields in the two major regions with large macroscopic demagnetizing fields, where the reverse domains can nucleate easily. As a consequence, the grain boundary diffusion along the directions parallel to the easy axis from two pole surfaces is more effective to improve the coercivity of the magnets than that along other directions. It is also found that, to enhance the coercivity, only a limited diffusion depth is required. The present result is in good agreement with the recent experimental findings.

Macroscopic and radiographic examination of proximal root surface caries

International Nuclear Information System (INIS)

Nordenram, G.; Bergvist, A.; Johnson, G.; Henriksen, C.O.; Anneroth, G.

1988-01-01

The purpose of the study was to compare macroscopic and radiographic examination of proximal root surface caries of extracted teeth from patients aged 65-95 years. Although the study conditions for macroscopic and radiographic diagnosis favored more sensitive evaluations than routine clinical conditions, there was a 24% disagreement in diagnosis. This finding indicates that under routine clinical conditions it is difficult to register with certainty all superficial root carious lesions. Even in the absence of clinically detectable root surface caries, preventive measures should be considered for elderly people with exposed root surfaces

Macroscopic quantum waves in non local theories

International Nuclear Information System (INIS)

Ventura, I.

1979-01-01

By means of an expansion in the density, it is shown that Macroscopic Quantum Waves also apear in non local theories. This result reinforces the conjecture that these waves should exist in liquid 4 He. (Author) [pt

Detailed Simulation of Complex Hydraulic Problems with Macroscopic and Mesoscopic Mathematical Methods

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Chiara Biscarini

2013-01-01

Full Text Available The numerical simulation of fast-moving fronts originating from dam or levee breaches is a challenging task for small scale engineering projects. In this work, the use of fully three-dimensional Navier-Stokes (NS equations and lattice Boltzmann method (LBM is proposed for testing the validity of, respectively, macroscopic and mesoscopic mathematical models. Macroscopic simulations are performed employing an open-source computational fluid dynamics (CFD code that solves the NS combined with the volume of fluid (VOF multiphase method to represent free-surface flows. The mesoscopic model is a front-tracking experimental variant of the LBM. In the proposed LBM the air-gas interface is represented as a surface with zero thickness that handles the passage of the density field from the light to the dense phase and vice versa. A single set of LBM equations represents the liquid phase, while the free surface is characterized by an additional variable, the liquid volume fraction. Case studies show advantages and disadvantages of the proposed LBM and NS with specific regard to the computational efficiency and accuracy in dealing with the simulation of flows through complex geometries. In particular, the validation of the model application is developed by simulating the flow propagating through a synthetic urban setting and comparing results with analytical and experimental laboratory measurements.

Extended Macroscopic Study of Dilute Gas Flow within a Microcavity

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Mohamed Hssikou

2016-01-01

Full Text Available The behaviour of monatomic and dilute gas is studied in the slip and early transition regimes using the extended macroscopic theory. The gas is confined within a two-dimensional microcavity where the longitudinal sides are in the opposite motion with constant velocity ±Uw. The microcavity walls are kept at the uniform and reference temperature T0. Thus, the gas flow is transported only by the shear stress induced by the motion of upper and lower walls. From the macroscopic point of view, the regularized 13-moment equations of Grad, R13, are solved numerically. The macroscopic gas proprieties are studied for different values of the so-called Knudsen number (Kn, which gives the gas-rarefaction degree. The results are compared with those obtained using the classical continuum theory of Navier-Stokes and Fourier (NSF.

Hybrid methods for witnessing entanglement in a microscopic-macroscopic system

International Nuclear Information System (INIS)

Spagnolo, Nicolo; Vitelli, Chiara; Paternostro, Mauro; De Martini, Francesco; Sciarrino, Fabio

2011-01-01

We propose a hybrid approach to the experimental assessment of the genuine quantum features of a general system consisting of microscopic and macroscopic parts. We infer entanglement by combining dichotomic measurements on a bidimensional system and phase-space inference through the Wigner distribution associated with the macroscopic component of the state. As a benchmark, we investigate the feasibility of our proposal in a bipartite-entangled state composed of a single-photon and a multiphoton field. Our analysis shows that, under ideal conditions, maximal violation of a Clauser-Horne-Shimony-Holt-based inequality is achievable regardless of the number of photons in the macroscopic part of the state. The difficulty in observing entanglement when losses and detection inefficiency are included can be overcome by using a hybrid entanglement witness that allows efficient correction for losses in the few-photon regime.

Hybrid methods for witnessing entanglement in a microscopic-macroscopic system

Energy Technology Data Exchange (ETDEWEB)

Spagnolo, Nicolo [Dipartimento di Fisica, Sapienza Universita di Roma, Piazzale Aldo Moro 5, I-00185 Roma (Italy); Consorzio Nazionale Interuniversitario per le Scienze Fisiche della Materia, Piazzale Aldo Moro 5, I-00185 Roma (Italy); Vitelli, Chiara [Dipartimento di Fisica, Sapienza Universita di Roma, Piazzale Aldo Moro 5, I-00185 Roma (Italy); Paternostro, Mauro [School of Mathematics and Physics, Queen' s University, BT 7 1NN Belfast (United Kingdom); De Martini, Francesco [Dipartimento di Fisica, Sapienza Universita di Roma, Piazzale Aldo Moro 5, I-00185 Roma (Italy); Accademia Nazionale dei Lincei, via della Lungara 10, I-00165 Roma (Italy); Sciarrino, Fabio [Dipartimento di Fisica, Sapienza Universita di Roma, Piazzale Aldo Moro 5, I-00185 Roma (Italy); Istituto Nazionale di Ottica, Consiglio Nazionale delle Ricerche (INO-CNR), largo E. Fermi 6, I-50125 Firenze (Italy)

2011-09-15

We propose a hybrid approach to the experimental assessment of the genuine quantum features of a general system consisting of microscopic and macroscopic parts. We infer entanglement by combining dichotomic measurements on a bidimensional system and phase-space inference through the Wigner distribution associated with the macroscopic component of the state. As a benchmark, we investigate the feasibility of our proposal in a bipartite-entangled state composed of a single-photon and a multiphoton field. Our analysis shows that, under ideal conditions, maximal violation of a Clauser-Horne-Shimony-Holt-based inequality is achievable regardless of the number of photons in the macroscopic part of the state. The difficulty in observing entanglement when losses and detection inefficiency are included can be overcome by using a hybrid entanglement witness that allows efficient correction for losses in the few-photon regime.

The microstructure of neutron-irradiated Fe-Cr alloys: A small-angle neutron scattering study

International Nuclear Information System (INIS)

Heintze, C.; Bergner, F.; Ulbricht, A.; Eckerlebe, H.

2009-01-01

Ferritic-martensitic chromium steels are candidate materials for future applications in both Gen-IV fission and fusion technology. Experimental investigation of neutron-irradiated Fe-Cr model alloys is important in order to gain a better understanding of the interplay of chromium content and irradiation behaviour. Small-angle neutron scattering (SANS) is particularly well suited to unfold the size distribution of non-planar irradiation-induced nanoscale features such as defect-solute clusters, nanovoids and α'- particles. This size distribution represents a statistically reliable average over a macroscopic volume. Assumptions on the dominant type of features can be checked against the ratio of magnetic and nuclear scattering. The materials investigated in this work are commercial-purity Fe-Cr alloys of nominal compositions Fe-2.5Cr, Fe-5Cr, Fe- 9Cr and Fe-12.5Cr (at %). Neutron irradiation was performed in the reactor BR2 at Mol (Belgium) at a temperature of 300 deg. C and neutron flux of 9 x 10 13 cm -2 s -1 (E > 1 MeV) [Matijasevic, JNM 377 (2008) 147]. The neutron exposures expressed in units of displacements per atom correspond to 0.6 and 1.5 dpa. A wavelength of 0.58 nm and three detector-sample distances of 1, 4 and 16 m were used in the SANS experiments carried out at the SANS-2 facility of GKSS Geesthacht (Germany). The samples were placed in a saturation magnetic field in order to separate magnetic and nuclear contributions. The scattering curves obtained for the unirradiated conditions of the four Fe-Cr alloys were taken as reference. We have found that the volume fraction of scatterers slightly increases with neutron exposure (Fe-9Cr) or exhibits a saturation-like behaviour (Fe-2.5Cr, Fe-5Cr and Fe-12.5Cr) and that the volume fraction at 1.5 dpa is an increasing function of the chromium level with a slight increase up to 9 at%Cr and a steep increase between 9 and 12.5 at%Cr. The radii of irradiation-induced scatterers are essentially less than 8 nm and

Nd{sub 2}Fe{sub 14}B and Pr{sub 2}Fe{sub 14}B magnets characterisation and modelling for cryogenic permanent magnet undulator applications

Energy Technology Data Exchange (ETDEWEB)

Benabderrahmane, C., E-mail: chamseddine.benabderrahmane@synchrotron-soleil.fr [Synchrotron SOLEIL, St Aubin (France); Berteaud, P.; Valleau, M.; Kitegi, C.; Tavakoli, K.; Bechu, N.; Mary, A.; Filhol, J.M.; Couprie, M.E. [Synchrotron SOLEIL, St Aubin (France)

2012-03-21

Cryogenic permanent magnet undulators take benefit from improved magnetic properties of RE{sub 2}Fe{sub 14}B (Rare Earth based magnets) at cryogenic temperatures for achieving short period high magnetic field. In particular, using Praseodymium instead of Neodymium generally employed for insertion devices avoids limitation due to Spin Reorientation Transition phenomenon. Magnetic properties of magnet samples (Nd{sub 2}Fe{sub 14}B and Pr{sub 2}Fe{sub 14}B) versus temperature have been investigated and applied to a 20 mm period Nd{sub 2}Fe{sub 14}B (BH50) and to a 18 mm period Pr{sub 2}Fe{sub 14}B (CR53) systems. Four period undulators have been built, characterised and compared to the models.

Effect of Organic Fe-Ligands, Released by Emiliania huxleyi, on Fe(II Oxidation Rate in Seawater Under Simulated Ocean Acidification Conditions: A Modeling Approach

Directory of Open Access Journals (Sweden)

Guillermo Samperio-Ramos

2018-06-01

Full Text Available The potential effect of ocean acidification on the exudation of organic matter by phytoplankton and, consequently, on the iron redox chemistry is largely unknown. In this study, the coccolithophorid Emiliania huxleyi was exposed to different pCO2 conditions (225–900 μatm, in order to determine the role of natural organic ligands on the Fe(II oxidation rate. Oxidation kinetics of Fe(II were studied as a function of pH (7.75–8.25 and dissolved organic carbon levels produced (0–141.11 μmol C L−1 during the different growth stages. The Fe(II oxidation rate always decreased in the presence of exudates as compared to that in the exudates-free seawater. The organic ligands present in the coccolithophorid exudates were responsible for this decrease. The oxidation of Fe(II in artificial seawater was also investigated at nanomolar levels over a range of pH (7.75–8.25 at 25°C in the presence of different glucuronic acid concentrations. Dissolved uronic acids (DUA slightly increased the experimental rate compared to control artificial seawater (ASW which can be ascribed to the stabilization of the oxidized form by chelation. This behavior was a function of the Fe(II:DUA ratio and was a pH dependent process. A kinetic model in ASW, with a single organic ligand, was applied for computing the equilibrium constant (log KFeCHO+ = 3.68 ± 0.81 M−1 and the oxidation rate (log kFeCHO+ = 3.28 ± 0.41 M−1 min−1 for the Fe(II-DUA complex (FeCHO+, providing an excellent description of data obtained over a wide range of DUA concentrations and pH conditions. Considering the Marcus theory the Fe(III complexing constant with DUA was limited to between 1013 and 1016. For the seawater enriched with exudates of E. huxleyi a second kinetic modeling approach was carried out for fitting the Fe(II speciation, and the contribution of each Fe(II species to the overall oxidation rate as a function of the pH/pCO2 conditions. The influence of organic ligands in the

Macroscopic description of the limb muscles of Tupinambis merianae

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Juliana Barbosa Casals

2012-03-01

Full Text Available Tegu lizard (Tupinambis merianae belongs to the Teiidae family. It is distributed throughout the Americas, with many species, including Brazilian ones. They are from the Tupinambis genus, the largest representatives of the Teiidae family. For this study three animals (run over coming from donation were used. The dissected lizards were fixed in 10%, formaldehyde, and the macroscopic analysis was carried out in a detailed and photo documented way, keeping the selected structures “in situ”. This paper had as its main aim contributing to the macroscopic description of the chest myology, as well as the thoracic and pelvic limbs of the lizard T. merianae. The results obtained from this research were compared to authors who have studied animals from the same Reptilia class. Thus, we conclude that our macroscopic results are similar to those already described by the researchers Hildebrand (1995, Moro and Abdala (2004 and Abdala and Diogo (2010. We should highlight that the knowledge on anatomy has importance and applications to various areas within Biology, contributing in a substantial way to the areas of human health and technology.

Macroscopic phase-resetting curves for spiking neural networks

Science.gov (United States)

Dumont, Grégory; Ermentrout, G. Bard; Gutkin, Boris

2017-10-01

The study of brain rhythms is an open-ended, and challenging, subject of interest in neuroscience. One of the best tools for the understanding of oscillations at the single neuron level is the phase-resetting curve (PRC). Synchronization in networks of neurons, effects of noise on the rhythms, effects of transient stimuli on the ongoing rhythmic activity, and many other features can be understood by the PRC. However, most macroscopic brain rhythms are generated by large populations of neurons, and so far it has been unclear how the PRC formulation can be extended to these more common rhythms. In this paper, we describe a framework to determine a macroscopic PRC (mPRC) for a network of spiking excitatory and inhibitory neurons that generate a macroscopic rhythm. We take advantage of a thermodynamic approach combined with a reduction method to simplify the network description to a small number of ordinary differential equations. From this simplified but exact reduction, we can compute the mPRC via the standard adjoint method. Our theoretical findings are illustrated with and supported by numerical simulations of the full spiking network. Notably our mPRC framework allows us to predict the difference between effects of transient inputs to the excitatory versus the inhibitory neurons in the network.

Macroscopic phase-resetting curves for spiking neural networks.

Science.gov (United States)

Dumont, Grégory; Ermentrout, G Bard; Gutkin, Boris

2017-10-01

The study of brain rhythms is an open-ended, and challenging, subject of interest in neuroscience. One of the best tools for the understanding of oscillations at the single neuron level is the phase-resetting curve (PRC). Synchronization in networks of neurons, effects of noise on the rhythms, effects of transient stimuli on the ongoing rhythmic activity, and many other features can be understood by the PRC. However, most macroscopic brain rhythms are generated by large populations of neurons, and so far it has been unclear how the PRC formulation can be extended to these more common rhythms. In this paper, we describe a framework to determine a macroscopic PRC (mPRC) for a network of spiking excitatory and inhibitory neurons that generate a macroscopic rhythm. We take advantage of a thermodynamic approach combined with a reduction method to simplify the network description to a small number of ordinary differential equations. From this simplified but exact reduction, we can compute the mPRC via the standard adjoint method. Our theoretical findings are illustrated with and supported by numerical simulations of the full spiking network. Notably our mPRC framework allows us to predict the difference between effects of transient inputs to the excitatory versus the inhibitory neurons in the network.

Magnetic Properties and Microstructure of FeOx/Fe/FePt and FeOx/FePt Films

Directory of Open Access Journals (Sweden)

Jai-Lin Tsai

2013-01-01

Full Text Available The Fe(6 nm/FePt film with perpendicular magnetization was deposited on the glass substrate. To study the oxygen diffusion effect on the coupling of Fe/FePt bilayer, the plasma oxidation with 0.5~7% oxygen flow ratio was performed during sputtered part of Fe layer and formed the FeOx(3 nm/Fe(3 nm/FePt trilayer. Two-step magnetic hysteresis loops were found in trilayer with oxygen flow ratio above 1%. The magnetization in FeOx and Fe/FePt layers was decoupled. The moments in FeOx layer were first reversed and followed by coupled Fe/FePt bilayer. The trilayer was annealed again at 500°C and 800°C for 3 minutes. When the FeOx(3 nm/Fe(3 nm/FePt trilayer was annealed at 500°C, the layers structure was changed to FeOx(6 nm/FePt bilayer due to oxygen diffusion. The hard-magnetic FeOx(6 nm/FePt film was coupled with single switching field. The FeOx/(disordered FePt layer structure was observed with further annealing at 800°C and presented soft-magnetic loop. In summary, the coupling between soft-magnetic Fe, FeOx layer, and hard-magnetic L10 FePt layer can be controlled by the oxygen diffusion behavior, and the oxidation of Fe layer was tuned by the annealing temperature. The ordered L10 FePt layer was deteriorated by oxygen and became disordered FePt when the annealed temperature was up to 800°C.

Model many-body Stoner Hamiltonian for binary FeCr alloys

Science.gov (United States)

Nguyen-Manh, D.; Dudarev, S. L.

2009-09-01

We derive a model tight-binding many-body d -electron Stoner Hamiltonian for FeCr binary alloys and investigate the sensitivity of its mean-field solutions to the choice of hopping integrals and the Stoner exchange parameters. By applying the local charge-neutrality condition within a self-consistent treatment we show that the negative enthalpy-of-mixing anomaly characterizing the alloy in the low chromium concentration limit is due entirely to the presence of the on-site exchange Stoner terms and that the occurrence of this anomaly is not specifically related to the choice of hopping integrals describing conventional chemical bonding between atoms in the alloy. The Bain transformation pathway computed, using the proposed model Hamiltonian, for the Fe15Cr alloy configuration is in excellent agreement with ab initio total-energy calculations. Our investigation also shows how the parameters of a tight-binding many-body model Hamiltonian for a magnetic alloy can be derived from the comparison of its mean-field solutions with other, more accurate, mean-field approximations (e.g., density-functional calculations), hence stimulating the development of large-scale computational algorithms for modeling radiation damage effects in magnetic alloys and steels.

Nuclear Energy Advanced Modeling and Simulation (NEAMS) Accident Tolerant Fuels High Impact Problem: Coordinate Multiscale FeCrAl Modeling

Energy Technology Data Exchange (ETDEWEB)

Gamble, K. A. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Hales, J. D. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Zhang, Y. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Andersson, D. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Capolungo, L. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Wirth, B. D. [Univ. of Tennessee, Knoxville, TN (United States)

2017-07-26

Since the events at the Fukushima-Daiichi nuclear power plant in March 2011 significant research has unfolded at national laboratories, universities and other institutions into alternative materials that have potential enhanced ac- cident tolerance when compared to traditional UO2 fuel zircaloy clad fuel rods. One of the potential replacement claddings are iron-chromium-alunimum (FeCrAl) alloys due to their increased oxidation resistance [1–4] and higher strength [1, 2]. While the oxidation characteristics of FeCrAl are a benefit for accident tolerance, the thermal neu- tron absorption cross section of FeCrAl is about ten times that of Zircaloy. This neutronic penalty necessitates thinner cladding. This allows for slightly larger pellets to give the same cold gap width in the rod. However, the slight increase in pellet diameter is not sufficient to compensate for the neutronic penalty and enriching the fuel beyond the current 5% limit appears to be necessary [5]. Current estimates indicate that this neutronic penalty will impose an increase in fuel cost of 15-35% [1, 2]. In addition to the neutronic disadvantage, it is anticipated that tritium release to the coolant will be larger because the permeability of hydrogen in FeCrAl is about 100 times higher than in Zircaloy [6]. Also, radiation-induced hardening and embrittlement of FeCrAl need to be fully characterized experimentally [7]. Due to the aggressive development schedule for inserting some of the potential materials into lead test assemblies or rods by 2022 [8] multiscale multiphysics modeling approaches have been used to provide insight into these the use of FeCrAl as a cladding material. The purpose of this letter report is to highlight the multiscale modeling effort for iron-chromium-alunimum (FeCrAl) cladding alloys as part of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program through its Accident Tolerant Fuel (ATF) High Impact Problem (HIP). The approach taken throughout the HIP is to

The origins of macroscopic quantum coherence in high temperature superconductivity

International Nuclear Information System (INIS)

Turner, Philip; Nottale, Laurent

2015-01-01

Highlights: • We propose a new theoretical approach to superconductivity in p-type cuprates. • Electron pairing mechanisms in the superconducting and pseudogap phases are proposed. • A scale free network of dopants is key to macroscopic quantum coherence. - Abstract: A new, theoretical approach to macroscopic quantum coherence and superconductivity in the p-type (hole doped) cuprates is proposed. The theory includes mechanisms to account for e-pair coupling in the superconducting and pseudogap phases and their inter relations observed in these materials. Electron pair coupling in the superconducting phase is facilitated by local quantum potentials created by static dopants in a mechanism which explains experimentally observed optimal doping levels and the associated peak in critical temperature. By contrast, evidence suggests that electrons contributing to the pseudogap are predominantly coupled by fractal spin waves (fractons) induced by the fractal arrangement of dopants. On another level, the theory offers new insights into the emergence of a macroscopic quantum potential generated by a fractal distribution of dopants. This, in turn, leads to the emergence of coherent, macroscopic spin waves and a second associated macroscopic quantum potential, possibly supported by charge order. These quantum potentials play two key roles. The first involves the transition of an expected diffusive process (normally associated with Anderson localization) in fractal networks, into e-pair coherence. The second involves the facilitation of tunnelling between localized e-pairs. These combined effects lead to the merger of the super conducting and pseudo gap phases into a single coherent condensate at optimal doping. The underlying theory relating to the diffusion to quantum transition is supported by Coherent Random Lasing, which can be explained using an analogous approach. As a final step, an experimental program is outlined to validate the theory and suggests a new

Development of a FE Model for the Stress Analysis of HTGR TRISO-coated particle fuel

International Nuclear Information System (INIS)

Cho, Moon Sung; Lee, Y. W.; Jeong, K. C.; Kim, Y. K.; Oh, S. C.; Chang, J. H.

2005-12-01

Finite element modelling of the stresses in TRISO-coated fuel particle under normal operating conditions was carried out with use of the structural analysis computer code ABAQUS. The FE model took into account the irradiation induced swelling and the creep of the PyC layers, the internal fission gas pressure that builds up during irradiation and the constant external ambient pressure. All of the inputs such as particle dimensions, swelling rates and creep rates of PyC layers and other mechanical properties used in these calculations were adopted from Miller's publication published in 1993. The FE model was verified against Miller's solution. Results of this model were found to be in good agreement with Miller's results. With use of the FE model, the static behavior of the TRISO-coated fuel particle, such as load shares, stress contours, stress variations as a function of fluence and shape changes of the TRISO -coated layers were investigated

Theory of superfluidity macroscopic quantum waves

International Nuclear Information System (INIS)

Ventura, I.

1978-10-01

A new description of superfluidity is proposed, based upon the fact that Bogoliubov's theory of superfluidity exhibits some so far unsuspected macroscopic quantum waves (MQWs), which have a topological nature and travel within the fluid at subsonic velocities. To quantize the bounded quasi-particles the field theoretic version of the Bohr-Sommerfeld quantization rule, is employed and also resort to a variational computation. In an instantaneous configuration the MQWs cut the condensate into blocks of phase, providing, by analogy with ferromagnetism, a nice explanation of what could be the lambda-transition. A crude estimate of the critical temperature gives T sub(c) approximately equal to 2-4K. An attempt is made to understand Tisza's two-fluid model in terms of the MQWs, and we rise the conjecture that they play an important role in the motion of second. We present also a qualitative prediction concerning to the behavior of the 'phononroton' peak below 1.0K, and propose two experiments to look for MQWs [pt

A simple three-dimensional macroscopic root water uptake model based on the hydraulic architecture approach

Directory of Open Access Journals (Sweden)

V. Couvreur

2012-08-01

Full Text Available Many hydrological models including root water uptake (RWU do not consider the dimension of root system hydraulic architecture (HA because explicitly solving water flow in such a complex system is too time consuming. However, they might lack process understanding when basing RWU and plant water stress predictions on functions of variables such as the root length density distribution. On the basis of analytical solutions of water flow in a simple HA, we developed an "implicit" model of the root system HA for simulation of RWU distribution (sink term of Richards' equation and plant water stress in three-dimensional soil water flow models. The new model has three macroscopic parameters defined at the soil element scale, or at the plant scale, rather than for each segment of the root system architecture: the standard sink fraction distribution SSF, the root system equivalent conductance K_rs and the compensatory RWU conductance K_comp. It clearly decouples the process of water stress from compensatory RWU, and its structure is appropriate for hydraulic lift simulation. As compared to a model explicitly solving water flow in a realistic maize root system HA, the implicit model showed to be accurate for predicting RWU distribution and plant collar water potential, with one single set of parameters, in dissimilar water dynamics scenarios. For these scenarios, the computing time of the implicit model was a factor 28 to 214 shorter than that of the explicit one. We also provide a new expression for the effective soil water potential sensed by plants in soils with a heterogeneous water potential distribution, which emerged from the implicit model equations. With the proposed implicit model of the root system HA, new concepts are brought which open avenues towards simple and mechanistic RWU models and water stress functions operational for field scale water dynamics simulation.

Immobilization of uranium in the presence of Fe0(s): Model development and simulation of contrasting experimental conditions

International Nuclear Information System (INIS)

Wang Yong; Salvage, Karen

2005-01-01

A geochemical model is developed for the immobilization of U in the presence of metallic Fe. Zero-valent iron (ZVI) serves as a reducing agent inducing the reductive-precipitation of U, and ZVI corrosion products can serve as absorbing agents for U. The numerical model developed allows the complex interactions of U in solution in differing concentrations to be examined, under variable pH and redox conditions, with or without carbonate, in the presence of ZVI of different size and surface area. It incorporates Fe corrosion, Fe(II) and Fe(III) corrosion product formation, reductive-precipitation of U from the soluble U(VI) valence to the poorly soluble U(IV) valence, adsorption/de-sorption of U onto the Fe oxide corrosion products, and aqueous speciation. The processes of Fe corrosion and reductive precipitation of U are simulated as non-equilibrium, an improvement over other geochemical models. The reductive-precipitation process may use either ZVI or Fe(II) as the reducing agent. The model is calibrated using 3 separate sets of experimental data from published literature that cover a wide range of redox conditions. Sensitivity of the model predictions to variations in input parameters is examined. The simulation results show that the different published experimental results can be explained by different solution chemistries in the studies, specifically O 2 and CO 2 availability and pH, and the amount and surface area of the metallic Fe. With this numerical model the behavior of U in ZVI containing systems over a range of conditions realistic for groundwater can be investigated. By synthesizing observations across several experimental studies, it will lead to a broader understanding of the processes controlling U immobilization under varied geochemical conditions

Predictive modelling of Fe(III) precipitation in iron removal process for bioleaching circuits.

Science.gov (United States)

Nurmi, Pauliina; Ozkaya, Bestamin; Kaksonen, Anna H; Tuovinen, Olli H; Puhakka, Jaakko A

2010-05-01

In this study, the applicability of three modelling approaches was determined in an effort to describe complex relationships between process parameters and to predict the performance of an integrated process, which consisted of a fluidized bed bioreactor for Fe(3+) regeneration and a gravity settler for precipitative iron removal. Self-organizing maps were used to visually evaluate the associations between variables prior to the comparison of two different modelling methods, the multiple regression modelling and artificial neural network (ANN) modelling, for predicting Fe(III) precipitation. With the ANN model, an excellent match between the predicted and measured data was obtained (R (2) = 0.97). The best-fitting regression model also gave a good fit (R (2) = 0.87). This study demonstrates that ANNs and regression models are robust tools for predicting iron precipitation in the integrated process and can thus be used in the management of such systems.

Solvable Quantum Macroscopic Motions and Decoherence Mechanisms in Quantum Mechanics on Nonstandard Space

Science.gov (United States)

Kobayashi, Tsunehiro

1996-01-01

Quantum macroscopic motions are investigated in the scheme consisting of N-number of harmonic oscillators in terms of ultra-power representations of nonstandard analysis. Decoherence is derived from the large internal degrees of freedom of macroscopic matters.

PREPARATION,COMPLEX MECHANISM AND STRUCTURE MODEL OF METALLOPHTHALOC- YANINE-Fe3O4 NANOPARTICLES COMPOSITE

Institute of Scientific and Technical Information of China (English)

无

2000-01-01

MPc-Fe3O4-nanoparticles composite(M=Co, Cu, Ni, Mn) have been prepared and the factors that influence their mean size have been studied. The mean size of the nanoparticles composite increase with the increase of complex temperature. The interaction of MPc with Fe3O4 nanoparticles has been studied. There are M-O covalent bonding and ionic bonding between MPc and Fe3O4 nanoparticles. The intensities of M-O bonding and ionic bonding are in vestigated .The complex mechanism of MPc with Fe3O4 nanoparticles have been studied. First, there are complex between MPc and all Fe3O4 nanoparticles. Then, Fe3O4 nanoparticles accumulate together to form the accumulators, MPc have the function of cohering Fe3O4 nanoparticles. A considerable number of MPc combine with Fe3O4 nanoparticles on the surface of the accumulators to form MPc-Fe3O4 nanoparticles composite. All the above proesses take place spontaneously. The structure model of MPc-Fe3O4 nanoparticles composite has also been investigated. Inside the MPc-Fe3O4 nanoparticles composite, Fe3O4 nanoparticles accumulate together without order, on the surface of the composite, MPc form molecular dispersion layer. The threshold of molecular dispersion layer are also investigated.

Analysis of the Glass-Forming Ability of Fe-Er Alloys, Based on Thermodynamic Modeling

Science.gov (United States)

Arutyunyan, N. A.; Zaitsev, A. I.; Dunaev, S. F.; Kalmykov, K. B.; El'nyakov, D. D.; Shaposhnikov, N. G.

2018-05-01

The Fe-Er phase diagram and thermodynamic properties of all its phases are assessed by means of self-consistent analysis. To refine the data on phase equilibria in the Fe-Er system, an investigation is performed in the 10-40 at % range of Er concentrations. The temperature-concentration dependences of the thermodynamic properties of a melt are presented using the model of ideal associated solutions. Thermodynamic parameters of each phase are obtained, and the calculated results are in agreement with available experimental data. The correlation between the thermodynamic properties of liquid Fe-Er alloys and their tendency toward amorphization are studied. It is shown that compositions of amorphous alloys prepared by melt quenching coincide with the ranges of concentration with the predominance of Fe3Er and FeEr2 associative groups that have large negative entropies of formation.

Information and self-organization a macroscopic approach to complex systems

CERN Document Server

Haken, Hermann

1988-01-01

Complex systems are ubiquitous, and practically all branches of science ranging from physics through chemistry and biology to economics and sociology have to deal with them. In this book we wish to present concepts and methods for dealing with complex systems from a unifying point of view. Therefore it may be of inter­ est to graduate students, professors and research workers who are concerned with theoretical work in the above-mentioned fields. The basic idea for our unified ap­ proach sterns from that of synergetics. In order to find unifying principles we shall focus our attention on those situations where a complex system changes its macroscopic behavior qualitatively, or in other words, where it changes its macroscopic spatial, temporal or functional structure. Until now, the theory of synergetics has usually begun with a microscopic or mesoscopic description of a complex system. In this book we present an approach which starts out from macroscopic data. In particular we shall treat systems that acquir...

Interplay between magnetism and energetics in Fe-Cr alloys from a predictive noncollinear magnetic tight-binding model

DEFF Research Database (Denmark)

Soulairol, R.; Barreteau, Cyrille; Fu, Chu-Chun

2016-01-01

Magnetism is a key driving force controlling several thermodynamic and kinetic properties of Fe-Cr systems. We present a tight-binding model for Fe-Cr, where magnetism is treated beyond the usual collinear approximation. A major advantage of this model consists in a rather simple fitting procedur...

On quantum mechanics for macroscopic systems

International Nuclear Information System (INIS)

Primas, H.

1992-01-01

The parable of Schroedinger's cat may lead to several up-to date questions: how to treat open systems in quantum theory, how to treat thermodynamically irreversible processes in the quantum mechanics framework, how to explain, following the quantum theory, the existence, phenomenologically evident, of classical observables, what implies the predicted existence by the quantum theory of non localized macroscopic material object ?

Refinement of Modeled Aqueous-Phase Sulfate Production via the Fe- and Mn-Catalyzed Oxidation Pathway

Directory of Open Access Journals (Sweden)

Syuichi Itahashi

2018-04-01

Full Text Available We refined the aqueous-phase sulfate (SO42− production in the state-of-the-art Community Multiscale Air Quality (CMAQ model during the Japanese model inter-comparison project, known as Japan’s Study for Reference Air Quality Modeling (J-STREAM. In Japan, SO42− is the major component of PM2.5, and CMAQ reproduces the observed seasonal variation of SO42− with the summer maxima and winter minima. However, CMAQ underestimates the concentration during winter over Japan. Based on a review of the current modeling system, we identified a possible reason as being the inadequate aqueous-phase SO42− production by Fe- and Mn-catalyzed O2 oxidation. This is because these trace metals are not properly included in the Asian emission inventories. Fe and Mn observations over Japan showed that the model concentrations based on the latest Japanese emission inventory were substantially underestimated. Thus, we conducted sensitivity simulations where the modeled Fe and Mn concentrations were adjusted to the observed levels, the Fe and Mn solubilities were increased, and the oxidation rate constant was revised. Adjusting the concentration increased the SO42− concentration during winter, as did increasing the solubilities and revising the rate constant to consider pH dependencies. Statistical analysis showed that these sensitivity simulations improved model performance. The approach adopted in this study can partly improve model performance in terms of the underestimation of SO42− concentration during winter. From our findings, we demonstrated the importance of developing and evaluating trace metal emission inventories in Asia.

Macroscopic quantum mechanics: theory and experimental concepts of optomechanics

International Nuclear Information System (INIS)

Chen Yanbei

2013-01-01

Rapid experimental progress has recently allowed the use of light to prepare macroscopic mechanical objects into nearly pure quantum states. This research field of quantum optomechanics opens new doors towards testing quantum mechanics, and possibly other laws of physics, in new regimes. In the first part of this article, I will review a set of techniques of quantum measurement theory that are often used to analyse quantum optomechanical systems. Some of these techniques were originally designed to analyse how a classical driving force passes through a quantum system, and can eventually be detected with an optimal signal-to-noise ratio—while others focus more on the quantum-state evolution of a mechanical object under continuous monitoring. In the second part of this article, I will review a set of experimental concepts that will demonstrate quantum mechanical behaviour of macroscopic objects—quantum entanglement, quantum teleportation and the quantum Zeno effect. Taking the interplay between gravity and quantum mechanics as an example, I will review a set of speculations on how quantum mechanics can be modified for macroscopic objects, and how these speculations—and their generalizations—might be tested by optomechanics. (invited review)

Reactive Transport Modeling of Microbe-mediated Fe (II) Oxidation for Enhanced Oil Recovery

Science.gov (United States)

Surasani, V.; Li, L.

2011-12-01

Microbially Enhanced Oil Recovery (MEOR) aims to improve the recovery of entrapped heavy oil in depleted reservoirs using microbe-based technology. Reservoir ecosystems often contain diverse microbial communities those can interact with subsurface fluids and minerals through a network of nutrients and energy fluxes. Microbe-mediated reactions products include gases, biosurfactants, biopolymers those can alter the properties of oil and interfacial interactions between oil, brine, and rocks. In addition, the produced biomass and mineral precipitates can change the reservoir permeability profile and increase sweeping efficiency. Under subsurface conditions, the injection of nitrate and Fe (II) as the electron acceptor and donor allows bacteria to grow. The reaction products include minerals such as Fe(OH)3 and nitrogen containing gases. These reaction products can have large impact on oil and reservoir properties and can enhance the recovery of trapped oil. This work aims to understand the Fe(II) oxidation by nitrate under conditions relevant to MEOR. Reactive transport modeling is used to simulate the fluid flow, transport, and reactions involved in this process. Here we developed a complex reactive network for microbial mediated nitrate-dependent Fe (II) oxidation that involves both thermodynamic controlled aqueous reactions and kinetic controlled Fe (II) mineral reaction. Reactive transport modeling is used to understand and quantify the coupling between flow, transport, and reaction processes. Our results identify key parameter controls those are important for the alteration of permeability profile under field conditions.

Quantum laws of the microworld and the wealth of macroscopic structures

International Nuclear Information System (INIS)

Noga, M.

2000-01-01

The reasons are highlighted why classical physics was unable to explain the formation of any collective self-organized arrangement such as magnetism and how the wealth of macroscopic self-organized structures emerges spontaneously from quantum theory applied to the given physical system. This is demonstrated on the simplest multi-electron system, viz. the model of a metal as electron gas with Coulomb interaction with a background of homogeneously distributed positive charge possessing a constant density so as to ensure charge neutrality of the system

Plasmonic direct writing lithography with a macroscopical contact probe

Science.gov (United States)

Huang, Yuerong; Liu, Ling; Wang, Changtao; Chen, Weidong; Liu, Yunyue; Li, Ling

2018-05-01

In this work, we design a plasmonic direct writing lithography system with a macroscopical contact probe to achieve nanometer scale spots. The probe with bowtie-shaped aperture array adopts spring hinge and beam deflection method (BDM) to realize near-field lithography. Lithography results show that a macroscopical plasmonic contact probe can achieve a patterning resolution of around 75 nm at 365 nm wavelength, and demonstrate that the lithography system is promising for practical applications due to beyond the diffraction limit, low cost, and simplification of system configuration. CST calculations provide a guide for the design of recording structure and the arrangement of placing polarizer.

Fluctuations in macroscopically agitated plasma:quasiparticles and effective temperature

International Nuclear Information System (INIS)

Sosenko, P.P.; Gresillon, D.

1994-01-01

Fluctuations in the plasma, in which macroscopic fluid-like motion is agitated due to large-scale and low-frequency electro-magnetic fields, are studied. Such fields can be produced by external factors or internally, for example due to turbulence. Fluctuation spectral distributions are calculated with regard to the renormalization of the transition probability for a test-particle and of the test-particle shielding. If the correlation length for the random fluid-like motion is large as compared to the fluctuation scale lengths, then the fluctuation spectral distributions can be explained in terms of quasiparticles originating from macroscopic plasma agitation and of an effective temperature

Hydrogen Activation by Biomimetic [NiFe]-Hydrogenase Model Containing Protected Cyanide Cofactors

Science.gov (United States)

Manor, Brian C.; Rauchfuss, Thomas B.

2013-01-01

Described are experiments that allow incorporation of cyanide cofactors and hydride substrate into active site models [NiFe]-hydrogenases (H2ases). Complexes of the type (CO)2(CN)2Fe(pdt)Ni(dxpe), (dxpe = dppe, 1; dxpe = dcpe, 2) bind the Lewis acid B(C6F5)3 (BArF3) to give the adducts (CO)2(CNBArF3)2Fe(pdt)Ni(dxpe), (1(BArF3)2, 2(BArF3)2). Upon decarbonylation using amine oxides, these adducts react with H2 to give hydrido derivatives Et4N[(CO)(CNBArF3)2Fe(H)(pdt)Ni(dxpe)], (dxpe = dppe, Et4N[H3(BArF3)2]; dxpe = dcpe, Et4N[H4(BArF3)2]). Crystallographic analysis shows that Et4N[H3(BArF3)2] generally resembles the active site of the enzyme in the reduced, hydride-containing states (Ni-C/R). The Fe-H…Ni center is unsymmetrical with rFe-H = 1.51(3) and rNi-H = 1.71(3) Å. Both crystallographic and 19F NMR analysis show that the CNBArF3− ligands occupy basal and apical sites. Unlike cationic Ni-Fe hydrides, [H3(BArF3)2]− and [H4(BArF3)2]− oxidize at mild potentials, near the Fc+/0 couple. Electrochemical measurements indicate that in the presence of base, [H3(BArF3)2]− catalyzes the oxidation of H2. NMR evidence indicates dihydrogen bonding between these anionic hydrides and ammonium salts, which is relevant to the mechanism of hydrogenogenesis. In the case of Et4N[H3(BArF3)2], strong acids such as HCl induce H2 release to give the chloride Et4N[(CO)(CNBArF3)2Fe(pdt)(Cl)Ni(dppe)]. PMID:23899049

Applying DTI white matter orientations to finite element head models to examine diffuse TBI under high rotational accelerations.

LENUS (Irish Health Repository)

Colgan, Niall C

2010-12-01

The in-vivo mechanical response of neural tissue during impact loading of the head is simulated using geometrically accurate finite element (FE) head models. However, current FE models do not account for the anisotropic elastic material behaviour of brain tissue. In soft biological tissue, there is a correlation between internal microscopic structure and macroscopic mechanical properties. Therefore, constitutive equations are important for the numerical analysis of the soft biological tissues. By exploiting diffusion tensor techniques the anisotropic orientation of neural tissue is incorporated into a non-linear viscoelastic material model for brain tissue and implemented in an explicit FE analysis. The viscoelastic material parameters are derived from published data and the viscoelastic model is used to describe the mechanical response of brain tissue. The model is formulated in terms of a large strain viscoelastic framework and considers non-linear viscous deformations in combination with non-linear elastic behaviour. The constitutive model was applied in the University College Dublin brain trauma model (UCDBTM) (i.e. three-dimensional finite element head model) to predict the mechanical response of the intra-cranial contents due to rotational injury.

Modeling of chromium precipitation in Fe-Cr alloys

International Nuclear Information System (INIS)

Wallenius, J.; Olsson, P.; Lagerstedt, C.; Sandberg, N.; Chakarova, R.; Pontikis, V.

2004-01-01

We have implemented a set of Embedded Atom Method (EAM) potentials for simulation of Fe-Cr alloys. The functions for the pure elements were fitted to the respective elastic constants, vacancy formation energy, and thermal expansion coefficients. For Cr, properties of the paramagnetic state were applied, providing a positive Cauchy pressure and hence applicability of the EAM. By relaxing the requirement of reproducing the pressure-volume relation at short interaction distances, stability of the self-interstitial could be obtained. Our Fe-potential gives E lang110rang f -E lang111rang f =-0.23 eV. Mixed Fe-Cr pair potentials were fitted to the calculated mixing enthalpy of ferromagnetic Fe-Cr, which is negative for Cr concentrations below 6%. Simulation of thermal aging in Fe-Cr alloys using a potential fitted to the mixing enthalpy of Fe-20Cr exhibited pronounced Cr-precipitation for temperatures below 900 K, in agreement with the phase diagram. No such ordering was observed at any temperature using a potential fitted to the mixing enthalpy of Fe-5Cr. Applied to recoil cascade simulations the new potentials predict a smaller number of surviving defects than potentials found in the literature. We obtain a cascade efficiency of 0.135 NRT for damage energies in between 10 and 20 keV. An enhanced probability for Cr atoms to end up in defect structures is observed

Quantum mechanics versus macroscopic realism: Is the flux there when nobody looks

International Nuclear Information System (INIS)

Leggett, A.J.; Garg, A.

1985-01-01

It is shown that, in the contect of an idealized ''macroscopic quantum coherence'' experiment, the prediction of quantum mechanics are incompattible with the conjunction of two general assimptions which are designated ''macroscopic realism'' and ''noninvasive measurability at the macroscopiclevel.'' The conditions under which quantum mechanics can be tested against these assumptions in a realistic experiment are discussed

Macroscopic charge quantization in single-electron devices

NARCIS (Netherlands)

Burmistrov, I.S.; Pruisken, A.M.M.

2010-01-01

In a recent paper by the authors [I. S. Burmistrov and A. M. M. Pruisken, Phys. Rev. Lett. 101, 056801 (2008)] it was shown that single-electron devices (single-electron transistor or SET) display "macroscopic charge quantization" which is completely analogous to the quantum Hall effect observed on

Accurate Wavelength Measurements and Modeling of Fe XV to Fe XIX Spectra Recorded in High-Density Plasmas between 13.5 and 17 Å

Science.gov (United States)

May, M. J.; Beiersdorfer, P.; Dunn, J.; Jordan, N.; Hansen, S. B.; Osterheld, A. L.; Faenov, A. Ya.; Pikuz, T. A.; Skobelev, I. Yu.; Flora, F.; Bollanti, S.; Di Lazzaro, P.; Murra, D.; Reale, A.; Reale, L.; Tomassetti, G.; Ritucci, A.; Francucci, M.; Martellucci, S.; Petrocelli, G.

2005-06-01

Iron spectra have been recorded from plasmas created at three different laser plasma facilities: the Tor Vergata University laser in Rome (Italy), the Hercules laser at ENEA in Frascati (Italy), and the Compact Multipulse Terawatt (COMET) laser at LLNL in California (USA). The measurements provide a means of identifying dielectronic satellite lines from Fe XVI and Fe XV in the vicinity of the strong 2p-->3d transitions of Fe XVII. About 80 Δn>=1 lines of Fe XV (Mg-like) to Fe XIX (O-like) were recorded between 13.8 and 17.1 Å with a high spectral resolution (λ/Δλ~4000) about 30 of these lines are from Fe XVI and Fe XV. The laser-produced plasmas had electron temperatures between 100 and 500 eV and electron densities between 1020 and 1022 cm-3. The Hebrew University Lawrence Livermore Atomic Code (HULLAC) was used to calculate the atomic structure and atomic rates for Fe XV-XIX. HULLAC was used to calculate synthetic line intensities at Te=200 eV and ne=1021 cm-3 for three different conditions to illustrate the role of opacity: optically thin plasmas with no excitation-autoionization/dielectronic recombination (EA/DR) contributions to the line intensities, optically thin plasmas that included EA/DR contributions to the line intensities, and optically thick plasmas (optical depth ~200 μm) that included EA/DR contributions to the line intensities. The optically thick simulation best reproduced the recorded spectrum from the Hercules laser. However, some discrepancies between the modeling and the recorded spectra remain.

Nickel-centred proton reduction catalysis in a model of [NiFe] hydrogenase

Science.gov (United States)

Brazzolotto, Deborah; Gennari, Marcello; Queyriaux, Nicolas; Simmons, Trevor R.; Pécaut, Jacques; Demeshko, Serhiy; Meyer, Franc; Orio, Maylis; Artero, Vincent; Duboc, Carole

2016-11-01

Hydrogen production through water splitting is one of the most promising solutions for the storage of renewable energy. [NiFe] hydrogenases are organometallic enzymes containing nickel and iron centres that catalyse hydrogen evolution with performances that rival those of platinum. These enzymes provide inspiration for the design of new molecular catalysts that do not require precious metals. However, all heterodinuclear NiFe models reported so far do not reproduce the Ni-centred reactivity found at the active site of [NiFe] hydrogenases. Here, we report a structural and functional NiFe mimic that displays reactivity at the Ni site. This is shown by the detection of two catalytic intermediates that reproduce structural and electronic features of the Ni-L and Ni-R states of the enzyme during catalytic turnover. Under electrocatalytic conditions, this mimic displays high rates for H2 evolution (second-order rate constant of 2.5 × 104 M-1 s-1 turnover frequency of 250 s-1 at 10 mM H+ concentration) from mildly acidic solutions.

Final Report: Model interacting particle systems for simulation and macroscopic description of particulate suspensions

Energy Technology Data Exchange (ETDEWEB)

Peter J. Mucha

2007-08-30

Suspensions of solid particles in liquids appear in numerous applications, from environmental settings like river silt, to industrial systems of solids transport and water treatment, and biological flows such as blood flow. Despite their importance, much remains unexplained about these complicated systems. Mucha's research aims to improve understanding of basic properties of suspensions through a program of simulating model interacting particle systems with critical evaluation of proposed continuum equations, in close collaboration with experimentalists. Natural to this approach, the original proposal centered around collaboration with studies already conducted in various experimental groups. However, as was detailed in the 2004 progress report, following the first year of this award, a number of the questions from the original proposal were necessarily redirected towards other specific goals because of changes in the research programs of the proposed experimental collaborators. Nevertheless, the modified project goals and the results that followed from those goals maintain close alignment with the main themes of the original proposal, improving efficient simulation and macroscopic modeling of sedimenting and colloidal suspensions. In particular, the main investigations covered under this award have included: (1) Sedimentation instabilities, including the sedimentation analogue of the Rayleigh-Taylor instability (for heavy, particle-laden fluid over lighter, clear fluid). (2) Ageing dynamics of colloidal suspensions at concentrations above the glass transition, using simplified interactions. (3) Stochastic reconstruction of velocity-field dependence for particle image velocimetry (PIV). (4) Stochastic modeling of the near-wall bias in 'nano-PIV'. (5) Distributed Lagrange multiplier simulation of the 'internal splash' of a particle falling through a stable stratified interface. (6) Fundamental study of velocity fluctuations in sedimentation

Macroscopic Theory for Evolving Biological Systems Akin to Thermodynamics.

Science.gov (United States)

Kaneko, Kunihiko; Furusawa, Chikara

2018-05-20

We present a macroscopic theory to characterize the plasticity, robustness, and evolvability of biological responses and their fluctuations. First, linear approximation in intracellular reaction dynamics is used to demonstrate proportional changes in the expression of all cellular components in response to a given environmental stress, with the proportion coefficient determined by the change in growth rate as a consequence of the steady growth of cells. We further demonstrate that this relationship is supported through adaptation experiments of bacteria, perhaps too well as this proportionality is held even across cultures of different types of conditions. On the basis of simulations of cell models, we further show that this global proportionality is a consequence of evolution in which expression changes in response to environmental or genetic perturbations are constrained along a unique one-dimensional curve, which is a result of evolutionary robustness. It then follows that the expression changes induced by environmental changes are proportionally reduced across different components of a cell by evolution, which is akin to the Le Chatelier thermodynamics principle. Finally, with the aid of a fluctuation-response relationship, this proportionality is shown to hold between fluctuations caused by genetic changes and those caused by noise. Overall, these results and support from the theoretical and experimental literature suggest a formulation of cellular systems akin to thermodynamics, in which a macroscopic potential is given by the growth rate (or fitness) represented as a function of environmental and evolutionary changes.

Testing quantum mechanics against macroscopic realism using the output of χ(2) nonlinearity

International Nuclear Information System (INIS)

Podoshvedov, Sergey A.; Kim, Jaewan

2006-01-01

We suggest an all-optical scheme to generate entangled superposition of a single photon with macroscopic entangled states for testing macroscopic realism. The scheme consists of source of single photons, a Mach-Zehnder interferometer in routes of which a system of coupled-down converters with type-I phase matching is inserted, and a beam splitter for the other auxiliary modes of the scheme. We use quantization of the pumping modes, depletion of the coherent states passing through the system, and interference effect in the pumping modes in the process of erasing which-path information of the single-photon on exit from the Mach-Zehnder interferometer. We show the macroscopic fields of the output superposition are distinguishable states. This scheme generates macroscopic entangled state that violates Bell's inequality. Moreover, the detailed analysis concerning change of amplitudes of entangled superposition by means of repeating this process many times is accomplished. We show our scheme works without photon number resolving detection and it is robust to detector inefficiency

Measurement-Induced Macroscopic Superposition States in Cavity Optomechanics

DEFF Research Database (Denmark)

Hoff, Ulrich Busk; Kollath-Bönig, Johann; Neergaard-Nielsen, Jonas Schou

2016-01-01

A novel protocol for generating quantum superpositions of macroscopically distinct states of a bulk mechanical oscillator is proposed, compatible with existing optomechanical devices operating in the bad-cavity limit. By combining a pulsed optomechanical quantum nondemolition (QND) interaction...

Macroscopic sizes of field of superrelativistic charges

International Nuclear Information System (INIS)

Strel'tsov, V.N.

1995-01-01

Based on the equation of Lienard-Wiechert equipotentials, it is shown that the field of superrelativistic charges reaches macroscopic sizes (e.g., R || = 2 m at E e = 50 GeV). This phenomenon serves an initial cause of the known considerable growth of formation length at high energies. 3 refs., 1 tab

Ion irradiation effects on high purity bcc Fe and model FeCr alloys

International Nuclear Information System (INIS)

Bhattacharya, Arunodaya

2014-01-01

FeCr binary alloys are a simple representative of the reduced activation ferritic/martensitic (F-M) steels, which are currently the most promising candidates as structural materials for the sodium cooled fast reactors (SFR) and future fusion systems. However, the impact of Cr on the evolution of the irradiated microstructure in these materials is not well understood in these materials. Moreover, particularly for fusion applications, the radiation damage scenario is expected to be complicated further by the presence of large quantities of He produced by the nuclear transmutation (∼ 10 appm He/dpa). Within this context, an elaborate ion irradiation study was performed at 500 C on a wide variety of high purity FeCr alloys (with Cr content ranging from ∼ 3 wt.% to 14 wt.%) and a bcc Fe, to probe in detail the influence of Cr and He on the evolution of microstructure. The irradiations were performed using Fe self-ions, in single beam mode and in dual beam mode (damage by Fe ions and co-implantation of He), to separate ballistic damage effect from the impact of simultaneous He injection. Three different dose ranges were studied: high dose (157 dpa, 17 appm He/dpa for the dual beam case), intermediate dose (45 dpa, 57 appm He/dpa for dual beam case) and in-situ low dose (0.33 dpa, 3030 appm He/dpa for the dual beam case). The experiments were performed at the JANNuS triple beam facility and dual beam in situ irradiation facility at CEA-Saclay and CSNSM, Orsay respectively. The microstructure was principally characterized by conventional TEM, APT and EDS in STEM mode. The main results are as follows: 1) A comparison of the cavity microstructure in high dose irradiated Fe revealed strong swelling reduction by the addition of He. It was achieved by a drastic reduction in cavity sizes and an increased number density. This behaviour was observed all along the damage depth, up to the damage peak. 2) Cavity microstructure was also studied in the dual beam high dose

Nanocomposite Nd-Y-Fe-B-Mo bulk magnets prepared by injection casting technique

Energy Technology Data Exchange (ETDEWEB)

Tao, Shan [Magnetism Key Laboratory of Zhejiang Province, China Jiliang University, Hangzhou 310018 (China); Ahmad, Zubair [State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Zhang, Pengyue [Magnetism Key Laboratory of Zhejiang Province, China Jiliang University, Hangzhou 310018 (China); Yan, Mi, E-mail: mse_yanmi@zju.edu.cn [State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Zheng, Xiaomei [Magnetism Key Laboratory of Zhejiang Province, China Jiliang University, Hangzhou 310018 (China)

2017-09-01

Highlights: • Nanocomposite Nd{sub 7}Y{sub 6}Fe{sub 61}B{sub 22}Mo{sub 4} sheet magnets were synthesized by injection casting. • High coercivity of 1289 kA/m was obtained for the directly casted magnet. • Magnetic properties arise from magnetically exchange coupled soft and hard phases. - Abstract: The phase composition, magnetic and microstructural properties of Nd{sub 2}Fe{sub 14}B/(α-Fe, Fe{sub 3}B) nanocomposite magnets produced by injection casting technique have been studied. Magnetic hysteresis loop of the Nd{sub 7}Y{sub 6}Fe{sub 61}B{sub 22}Mo{sub 4} permanent magnet demonstrates the coercivity as high as 1289 kA/m. Electron microscopy elucidates a microstructure composed of magnetically soft α-Fe, Fe{sub 3}B and hard Nd{sub 2}Fe{sub 14}B/Y{sub 2}Fe{sub 14}B nanograins (20–50 nm) separated by ultra-thin grain boundary layer. The Henkel plot curve of the Nd{sub 7}Y{sub 6}Fe{sub 61}B{sub 22}Mo{sub 4} magnet yields the existence of exchange coupling interactions between soft and hard phases. Macroscopically large size sheet magnet is obtained due to high glass forming ability of the Nd{sub 7}Y{sub 6}Fe{sub 61}B{sub 22}Mo{sub 4} alloy derived from large atomic radius mismatch and negative enthalpy of alloy constituent elements. The high coercivity of the magnet is attributed to the magnetically hard phase increment, nucleation of reverse domains and the presence of thin grain boundary phase. Good magnetic properties such as remanence of 0.51 T, coercivity of 1289 kA/m and maximum energy product of 46.2 kJ/m{sup 3} are obtained in directly casted Nd{sub 7}Y{sub 6}Fe{sub 61}B{sub 22}Mo{sub 4} sheet magnets.

The microscopic model of BiFeO3

Science.gov (United States)

Fishman, R. S.

2018-05-01

Many years and great effort have been spent constructing the microscopic model for the room temperature multiferroic BiFeO3. However, earlier models implicitly assumed that the cycloidal wavevector q was confined to one of the three-fold symmetric axes in the hexagonal plane normal to the electric polarization. Because recent measurements indicate that q can be rotated by a magnetic field, it is essential to properly treat the anisotropy that confines q at low fields. We propose that the anisotropy energy -K3S6sin6 θ cos 6 ϕ confines the wavevectors q to the three-fold axis ϕ = 0 and ± 2 π / 3 within the hexagonal plane with θ = π / 2 .

Numerical Model and Analysis of Peak Temperature Reduction in LiFePO4 Battery Packs Using Phase Change Materials

DEFF Research Database (Denmark)

Coman, Paul Tiberiu; Veje, Christian

2013-01-01

Numerical model and analysis of peak temperature reduction in LiFePO4 battery packs using phase change materials......Numerical model and analysis of peak temperature reduction in LiFePO4 battery packs using phase change materials...

Emergence of an urban traffic macroscopic fundamental diagram

DEFF Research Database (Denmark)

Ranjan, Abhishek; Fosgerau, Mogens; Jenelius, Erik

2016-01-01

This paper examines mild conditions under which a macroscopic fundamental diagram (MFD) emerges, relating space-averaged speed to occupancy in some area. These conditions are validated against empirical data. We allow local speedoccupancy relationships and, in particular, require no equilibrating...

Macroscopic behavior of fast reactor fuel subjected to simulated thermal transients

International Nuclear Information System (INIS)

Fenske, G.R.; Emerson, J.E.; Savoie, F.E.

1983-06-01

High-speed cinematography has been used to characterize the macroscopic behavior of irradiated and unirradiated fuel subjected to thermal transients prototypical of fast reactor transients. The results demonstrate that as the cladding melts, the fuel can disperse via spallation if the fuel contains in excess of approx. 16 μmoles/gm of fission gas. Once the cladding has melted, the macroscopic behavior (time to failure and dispersive nature) was strongly influenced by the presence of volatile fission products and the heating rate

Macroscopic effects of the quantum trace anomaly

International Nuclear Information System (INIS)

Mottola, Emil; Vaulin, Ruslan

2006-01-01

The low energy effective action of gravity in any even dimension generally acquires nonlocal terms associated with the trace anomaly, generated by the quantum fluctuations of massless fields. The local auxiliary field description of this effective action in four dimensions requires two additional scalar fields, not contained in classical general relativity, which remain relevant at macroscopic distance scales. The auxiliary scalar fields depend upon boundary conditions for their complete specification, and therefore carry global information about the geometry and macroscopic quantum state of the gravitational field. The scalar potentials also provide coordinate invariant order parameters describing the conformal behavior and divergences of the stress tensor on event horizons. We compute the stress tensor due to the anomaly in terms of its auxiliary scalar potentials in a number of concrete examples, including the Rindler wedge, the Schwarzschild geometry, and de Sitter spacetime. In all of these cases, a small number of classical order parameters completely determine the divergent behaviors allowed on the horizon, and yield qualitatively correct global approximations to the renormalized expectation value of the quantum stress tensor

Kinetic Model of LiFePO4 Formation Using Non-Isothermal Thermogravimetric Analysis

Directory of Open Access Journals (Sweden)

Abdul Halim

2014-03-01

Full Text Available The formation reaction of LiFePO4 from decomposition of precursors LiOH, FeSO4.7H2O and (NH42HPO4 with mol ratio of Li:Fe:P=1:1:1 was investigated. The experiment was carried out by thermogravimetric differential thermal analysis (TG-DTA method using nitrogen as atmosfer at a constant heating rate to obtain kinetic constant parameters. Several heating rates were selected, there are 5, 7, 10, 15, 17.5, 22.5 and 25 °C/min. Activation energy, pre-exponential factor and reaction order were taken using Kissinger method and obtained respectively 56.086 kJ/mol, 6.95×108 min-1, and 1.058. Based on fitting result between reaction model and experiment were obtained that reaction obeyed the three dimension diffusion model. © 2014 BCREC UNDIP. All rights reservedReceived: 19th September 2013; Revised: 9th December 2013; Accepted: 23rd January 2014 [How to Cite: Halim, A., Widiyastuti, W., Setyawan, H., Winardi, S. (2014. Kinetic of LiFePO4 For-mation Using Non-isothermal Thermogravimetric Analysis. Bulletin of Chemical Reaction Engineering & Catalysis, 9 (1: 60-65. (doi:10.9767/bcrec.9.1.5508.60-65][Permalink/DOI: http://dx.doi.org/10.9767/bcrec.9.1.5508.60-65] 

Thermodynamic Modelling of Fe-Cr-Ni-Spinel Formation at the Light-Water Reactor Conditions

International Nuclear Information System (INIS)

Kurepin, V. A.; Kulik, D. A.; Hitpold, A.; Nicolet, M.

2002-03-01

In the light water reactors (LWR), the neutron activation and transport of corrosion products is of concern in the context of minimizing the radiation doses received by the personnel during maintenance works. A practically useful model for transport and deposition of the stainless steel corrosion products in LWR can only be based on an improved understanding of chemical processes, in particular, on the attainment of equilibrium in this hydrothermal system, which can be described by means of a thermodynamic solid-solution -aqueous-solution (SSAS) model. In this contribution, a new thermodynamic model for a Fe-Cr-Ni multi-component spinel solid solutions was developed that considers thermodynamic consequences of cation interactions in both spinel sub-Iattices. The obtained standard thermodynamic properties of two ferrite and two chromite end-members and their mixing parameters at 90 bar pressure and 290 *c temperature predict a large miscibility gap between (Fe,Ni) chromite and (Fe,Ni) ferrite phases. Together with the SUPCRT92-98 thermo- dynamic database for aqueous species, the 'spinel' thermodynamic dataset was applied to modeling oxidation of austenitic stainless steel in hydrothermal water at 290*C and 90 bar using the Gibbs energy minimization (GEM) algorithm, implemented in the GEMS-PSI code. Firstly, the equilibrium compositions of steel oxidation products were modelIed as function of oxygen fugacity .fO 2 by incremental additions of O 2 in H 2 O-free system Cr-Fe- Ni-O. Secondly, oxidation of corrosion products in the Fe-Cr-Ni-O-H aquatic system was modelIed at different initial solid/water ratios. It is demonstrated that in the transition region from hydrogen regime to oxygen regime, the most significant changes in composition of two spinel-oxide phases (chromite and ferrite) and hematite must take place. Under more reduced conditions, the Fe-rich ferrite (magnetite) and Ni-poor chromite phases co-exist at equilibrium with a metal Ni phase, maintaining

Thermodynamic Modelling of Fe-Cr-Ni-Spinel Formation at the Light-Water Reactor Conditions

Energy Technology Data Exchange (ETDEWEB)

Kurepin, V.A.; Kulik, D.A.; Hitpold, A.; Nicolet, M

2002-03-01

In the light water reactors (LWR), the neutron activation and transport of corrosion products is of concern in the context of minimizing the radiation doses received by the personnel during maintenance works. A practically useful model for transport and deposition of the stainless steel corrosion products in LWR can only be based on an improved understanding of chemical processes, in particular, on the attainment of equilibrium in this hydrothermal system, which can be described by means of a thermodynamic solid-solution -aqueous-solution (SSAS) model. In this contribution, a new thermodynamic model for a Fe-Cr-Ni multi-component spinel solid solutions was developed that considers thermodynamic consequences of cation interactions in both spinel sub-Iattices. The obtained standard thermodynamic properties of two ferrite and two chromite end-members and their mixing parameters at 90 bar pressure and 290 *c temperature predict a large miscibility gap between (Fe,Ni) chromite and (Fe,Ni) ferrite phases. Together with the SUPCRT92-98 thermo- dynamic database for aqueous species, the 'spinel' thermodynamic dataset was applied to modeling oxidation of austenitic stainless steel in hydrothermal water at 290*C and 90 bar using the Gibbs energy minimization (GEM) algorithm, implemented in the GEMS-PSI code. Firstly, the equilibrium compositions of steel oxidation products were modelIed as function of oxygen fugacity .fO{sub 2} by incremental additions of O{sub 2} in H{sub 2}O-free system Cr-Fe- Ni-O. Secondly, oxidation of corrosion products in the Fe-Cr-Ni-O-H aquatic system was modelIed at different initial solid/water ratios. It is demonstrated that in the transition region from hydrogen regime to oxygen regime, the most significant changes in composition of two spinel-oxide phases (chromite and ferrite) and hematite must take place. Under more reduced conditions, the Fe-rich ferrite (magnetite) and Ni-poor chromite phases co-exist at equilibrium with a metal Ni

Ordering phenomena in FeCo-films and Fe/Cr-multilayers: an X-ray and neutron scattering study

Energy Technology Data Exchange (ETDEWEB)

Nickel, B.

2001-07-01

The following topics are covered: critical phenomena in thin films, critical adsorption, finite size scaling, FeCo Ising model, kinematical scattering theory for thin films, FeCo thin films, growth and characterisation of single crystal FeCo thin films, X-ray study of ordering in FeCo films, antiferromagnetic coupling in Fe/Cr multilayers, neutron scattering on Fe/Cr multilayers (WL)

Mechanical Behaviour of Materials Volume 1 Micro- and Macroscopic Constitutive Behaviour

CERN Document Server

François, Dominique; Zaoui, André

2012-01-01

Advances in technology are demanding ever-increasing mastery over the materials being used: the challenge is to gain a better understanding of their behaviour, and more particularly of the relations between their microstructure and their macroscopic properties.   This work, of which this is the first volume, aims to provide the means by which this challenge may be met. Starting from the mechanics of deformation, it develops the laws governing macroscopic behaviour – expressed as the constitutive equations – always taking account of the physical phenomena which underlie rheological behaviour. The most recent developments are presented, in particular those concerning heterogeneous materials such as metallic alloys, polymers and composites. Each chapter is devoted to one of the major classes of material behaviour.   As the subtitles indicate, Volume 1 deals with micro- and macroscopic constitutive behaviour and Volume 2 with damage and fracture mechanics. A third volume will be devoted to exercises and the...

Experiments, constitutive modeling and FE simulations of the impact behavior of Molybdenum

Science.gov (United States)

Kleiser, Geremy; Revil-Baudard, Benoit

For polycrystalline high-purity molybdenum the feasibility of a Taylor test is questionable because the very large tensile stresses generated at impact would result in disintegration of the specimen. We report an experimental investigation and new model to account simultaneously for the experimentally observed anisotropy, tension-compression asymmetry and strain-rate sensitivity of this material. To ensure high-fidelity predictions, a fully-implicit algorithm was used for implementing the new model in the FE code ABAQUS. Based on model predictions, the impact velocity range was established for which specimens may be recovered. Taylor impact tests in this range (140-165 m/s) were successfully conducted for different specimen taken along the rolling direction (RD), the transverse direction and 45o to the RD. Comparison between the measured profiles of impact specimens and FE model predictions show excellent agreement. Furthermore, simulations were performed to gain understanding of the dynamic event: time evolution of the pressure, the extent of plastic deformation, distribution of plastic strain rates, and transition to quasi-stable deformation occurs.

Simulating Air-Entrapment in Low Permeability Mudrocks using a Macroscopic Invasion Percolation Model

Science.gov (United States)

Singh, A.; Holt, R. M.; Ramarao, B.; Clemo, T.

2011-12-01

Three radioactive waste disposal landfills at the Waste Control Specialists (WCS) facility in Andrews County, Texas are constructed below grade, within the low-permeability Dockum Group mudrocks (Cooper Canyon Formation) of Triassic age. Recent site investigations at the WCS disposal facilities indicate the presence of a trapped and compressed gas phase in the mudrocks. The Dockum is a low-permeability medium with vertical and horizontal effective hydraulic conductivities of 1.2E-9 cm/s and 2.9E-7 cm/s. The upper 300+ feet of the Dockum is in the unsaturated zone, with an average saturation of 0.87 and average capillary pressure of 2.8 MPa determined from core samples. Air entry pressures on core samples range from from 0.016 to 9.8 MPa, with a mean of 1.0 MPa. Heat dissipation sensors, thermocouple psychrometers, and advanced tensiometers installed in Dockum borehole arrays generally show capillary pressures one order of magnitude less than those measured on core samples. These differences with core data are attributed to the presence of a trapped and compressed gas phase within Dockum materials. In the vicinity of an instrumented borehole, the gas phase pressure equilibrates with atmospheric pressure, lowering the capillary pressure. We have developed a new macroscopic invasion percolation (MIP) model to illustrate the origin of the trapped gas phase in the Dockum rocks. An MIP model differs from invasion percolation (IP) through the definition of macro-scale capillarity. Individual pore throats and necks are not considered. Instead, a near pore-scale block is defined and characterized by a local threshold spanning pressure (a local block-scale breakthrough pressure) that represents the behavior of the subscale network. The model domain is discretized into an array of grid blocks with assigned spanning pressures. An invasion pressure for each block is then determined by the sum of spanning pressure, buoyance forces, and viscous forces. An IP algorithm sorts the

Macroscopic domain formation in the platelet plasma membrane

DEFF Research Database (Denmark)

Bali, Rachna; Savino, Laura; Ramirez, Diego A.

2009-01-01

There has been ample debate on whether cell membranes can present macroscopic lipid domains as predicted by three-component phase diagrams obtained by fluorescence microscopy. Several groups have argued that membrane proteins and interactions with the cytoskeleton inhibit the formation of large d...

Spectral distribution of Fe2+ photoionization cross section in InP:Fe

International Nuclear Information System (INIS)

Iikawa, F.

1985-01-01

Measurements of Fe 2+ ( 5 E) photoionization cross section in InP at 80 0 K, using constant current photoconductivity technique, were done. The spectrum presents a threshold energy of ∼ 0,65 eV due to the transition from Fe 2+ charge state, in the ground state, to Fe 3+ with an electron emission for the minimum conduction band. In the measurement of photoluminescence at ∼ 2 0 K, a wide emission of Fe complexe with the strong lattice interaction. In order to analyse the experimental data of Fe 2+ cross section in InP, a theoretical model was used. (M.C.K.) [pt

Gibbs energy modelling of the driving forces and calculation of the fcc/hcp martensitic transformation temperatures in Fe-Mn and Fe-Mn-Si alloys

International Nuclear Information System (INIS)

Cotes, S.; Fernandez Guillermet, A.; Sade, M.

1999-01-01

Very recent, accurate dilatometric measurements of the fcc hcp martensitic transformation (MT) temperatures are used to develop a new thermodynamic description of the fcc and hcp phases in the Fe-Mn-Si system, based on phenomenological models for the Gibbs energy function. The composition dependence of the driving forces for the fcc→hcp and the hcp→fcc MTs is established. Detailed calculations of the MT temperatures are reported, which are used to investigate the systematic effects of Si additions upon the MT temperatures of Fe-Mn alloys. A critical comparison with one of the most recent thermodynamic analyses of the Fe-Mn-Si system, which is due to Forsberg and Agren, is also presented. (orig.)

Berkeley Experiments on Superfluid Macroscopic Quantum Effects

International Nuclear Information System (INIS)

Packard, Richard

2006-01-01

This paper provides a brief history of the evolution of the Berkeley experiments on macroscopic quantum effects in superfluid helium. The narrative follows the evolution of the experiments proceeding from the detection of single vortex lines to vortex photography to quantized circulation in 3He to Josephson effects and superfluid gyroscopes in both 4He and 3He

Simulation of radiation damage in Fe and Fe-Cr

International Nuclear Information System (INIS)

Lagerstedt, Christina

2005-11-01

Steel is an important structural material in nuclear reactors used for example in pressure vessels and fast reactor cladding. In reactor environments it has been observed that ferritic steels are more resistant to swelling than the austenitic steels typically used. Much effort has been put into developing basic models of FeCr alloys which can serve as model alloys for describing ferritic steels. As a result, a number of interatomic potentials for Fe and FeCr alloys exist today. For the work in this thesis, basic material properties coming from experiments or ab initio calculations were used to fit interatomic potentials for Fe, Cr and FeCr implementing both the embedded atom method and the Finnis-Sinclair formalisms. The potentials were then validated by molecular dynamic calculations of material properties such as defect formation energies, migration energies and thermal expansion. Further studies of potential performance were carried out in simulations of radiation damage cascades and thermal aging. The influence of the interatomic potential on the primary defect state in materials under irradiation was analyzed in a study comparing results obtained using four different potentials. The objective of the study was to find correlations between potential properties and the primary damage state produced in simulations of displacement cascades. The defect evolution and clustering during different cascade stages were also investigated to try to gain a better understanding of these processes

The catalytic ozonization of model lignin compounds in the presence of Fe(III) ions

Science.gov (United States)

Ben'ko, E. M.; Mukovnya, A. V.; Lunin, V. V.

2007-05-01

The ozonization of several model lignin compounds (guaiacol, 2,6-dimethoxyphenol, phenol, and vanillin) was studied in acid media in the presence of iron(III) ions. It was found that Fe3+ did not influence the initial rate of the reactions between model phenols and ozone but accelerated the oxidation of intermediate ozonolysis products. The metal concentration dependences of the total ozone consumption and effective rate constants of catalytic reaction stages were determined. Data on reactions in the presence of oxalic acid as a competing chelate ligand showed that complex formation with Fe3+ was the principal factor that accelerated the ozonolysis of model phenols at the stage of the oxidation of carboxylic dibasic acids and C2 aldehydes formed as intermediate products.

Impact of lattice strain on the tunnel magnetoresistance in Fe/insulator/Fe and Fe/insulator/La0.67Sr0.33MnO3 magnetic tunnel junctions

KAUST Repository

Useinov, Arthur

2013-08-19

The objective of this work is to describe the tunnel electron current in single-barrier magnetic tunnel junctions within an approach that goes beyond the single-band transport model. We propose a ballistic multichannel electron transport model that can explain the influence of in-plane lattice strain on the tunnel magnetoresistance as well as the asymmetric voltage behavior. We consider as an example single-crystal magnetic Fe(110) electrodes for Fe/insulator/Fe and Fe/insulator/La0.67Sr0.33MnO3 tunnel junctions, where the electronic band structures of Fe and La0.67Sr0.33MnO3 are derived by ab initio calculations.

Impact of lattice strain on the tunnel magnetoresistance in Fe/insulator/Fe and Fe/insulator/La0.67Sr0.33MnO3 magnetic tunnel junctions

KAUST Repository

Useinov, Arthur; Saeed, Yasir; Schwingenschlö gl, Udo; Singh, Nirpendra; Useinov, N.

2013-01-01

The objective of this work is to describe the tunnel electron current in single-barrier magnetic tunnel junctions within an approach that goes beyond the single-band transport model. We propose a ballistic multichannel electron transport model that can explain the influence of in-plane lattice strain on the tunnel magnetoresistance as well as the asymmetric voltage behavior. We consider as an example single-crystal magnetic Fe(110) electrodes for Fe/insulator/Fe and Fe/insulator/La0.67Sr0.33MnO3 tunnel junctions, where the electronic band structures of Fe and La0.67Sr0.33MnO3 are derived by ab initio calculations.

Scaling from single molecule to macroscopic adhesion at polymer/metal interfaces.

Science.gov (United States)

Utzig, Thomas; Raman, Sangeetha; Valtiner, Markus

2015-03-10

Understanding the evolution of macroscopic adhesion based on fundamental molecular interactions is crucial to designing strong and smart polymer/metal interfaces that play an important role in many industrial and biomedical applications. Here we show how macroscopic adhesion can be predicted on the basis of single molecular interactions. In particular, we carry out dynamic single molecule-force spectroscopy (SM-AFM) in the framework of Bell-Evans' theory to gain information about the energy barrier between the bound and unbound states of an amine/gold junction. Furthermore, we use Jarzynski's equality to obtain the equilibrium ground-state energy difference of the amine/gold bond from these nonequilibrium force measurements. In addition, we perform surface forces apparatus (SFA) experiments to measure macroscopic adhesion forces at contacts where approximately 10(7) amine/gold bonds are formed simultaneously. The SFA approach provides an amine/gold interaction energy (normalized by the number of interacting molecules) of (36 ± 1)k(B)T, which is in excellent agreement with the interaction free energy of (35 ± 3)k(B)T calculated using Jarzynski's equality and single-molecule AFM experiments. Our results validate Jarzynski's equality for the field of polymer/metal interactions by measuring both sides of the equation. Furthermore, the comparison of SFA and AFM shows how macroscopic interaction energies can be predicted on the basis of single molecular interactions, providing a new strategy to potentially predict adhesive properties of novel glues or coatings as well as bio- and wet adhesion.

Modelling of radiation induced segregation in austenitic Fe alloys at the atomistic level

International Nuclear Information System (INIS)

Piochaud, Jean-Baptiste

2013-01-01

In pressurized water reactors, under irradiation internal structures are subject of irradiation assisted stress corrosion cracking which is influenced by radiation induced segregation (RIS). In this work RIS of 316 stainless steels is modelled considering a model ternary Fe-10Ni-20Cr alloy. For this purpose we have built an Fe-Ni-Cr pair interaction model to simulate RIS at the atomistic level using an atomistic kinetic Monte Carlo approach. The pair interactions have been deduced from density functional theory (DFT) data available in the pure fcc systems but also from DFT calculations we have performed in the Fe-10Ni-20Cr target alloy. Point defect formation energies were calculated and found to depend strongly on the local environment of the defect. As a consequence, a rather good estimation of these energies can be obtained from the knowledge of the number and respective positions of the Ni and Cr atoms in the vicinity of the defect. This work shows that a model based only on interaction parameters between elements positioned in perfect lattice sites (solute atoms and vacancy) cannot capture alone both the thermodynamic and the kinetic aspect of RIS. A more accurate of estimating the barriers encountered by the diffusing species is required than the one used in our model, which has to depend on the saddle point environment. This study therefore shows thus the need to estimate point defect migration energies using the DFT approach to calibrate a model that can be used in the framework of atomic kinetic Monte Carlo simulations. We also found that the reproduction by our pair interaction model of DFT data for the self-interstitial atoms was found to be incompatible with the modelling of RIS under electron irradiation. (author)

Departure of microscopic friction from macroscopic drag in molecular fluid dynamics

Energy Technology Data Exchange (ETDEWEB)

Hanasaki, Itsuo [Institute of Engineering, Tokyo University of Agriculture and Technology, Naka-cho 2-24-16, Koganei, Tokyo 184-8588 (Japan); Fujiwara, Daiki; Kawano, Satoyuki, E-mail: kawano@me.es.osaka-u.ac.jp [Graduate School of Engineering Science, Osaka University, Machikaneyama-cho 1-3, Toyonaka, Osaka 560-8531 (Japan)

2016-03-07

Friction coefficient of the Langevin equation and drag of spherical macroscopic objects in steady flow at low Reynolds numbers are usually regarded as equivalent. We show that the microscopic friction can be different from the macroscopic drag when the mass is taken into account for particles with comparable scale to the surrounding fluid molecules. We illustrate it numerically by molecular dynamics simulation of chloride ion in water. Friction variation by the atomistic mass effect beyond the Langevin regime can be of use in the drag reduction technology as well as the electro or thermophoresis.

Generating macroscopic chaos in a network of globally coupled phase oscillators

Science.gov (United States)

So, Paul; Barreto, Ernest

2011-01-01

We consider an infinite network of globally coupled phase oscillators in which the natural frequencies of the oscillators are drawn from a symmetric bimodal distribution. We demonstrate that macroscopic chaos can occur in this system when the coupling strength varies periodically in time. We identify period-doubling cascades to chaos, attractor crises, and horseshoe dynamics for the macroscopic mean field. Based on recent work that clarified the bifurcation structure of the static bimodal Kuramoto system, we qualitatively describe the mechanism for the generation of such complicated behavior in the time varying case. PMID:21974662

Biogeochemical speciation of Fe in ocean water

NARCIS (Netherlands)

Hiemstra, T.; Riemsdijk, van W.H.

2006-01-01

The biogeochemical speciation of Fe in seawater has been evaluated using the consistent Non-Ideal Competitive Adsorption model (NICA¿Donnan model). Two types of data sets were used, i.e. Fe-hydroxide solubility data and competitive ligand equilibration/cathodic stripping voltammetry (CLE/CSV) Fe

Simultaneous influence of gas mixture composition and process temperature on Fe2O3->FeO reduction kinetics: neural network modeling

Directory of Open Access Journals (Sweden)

K. Piotrowski

2005-09-01

Full Text Available The kinetics of Fe2O3->FeO reaction was investigated. The thermogravimetric (TGA data covered the reduction of hematite both by pure species (nitrogen diluted CO or H2 and by their mixture. The conventional analysis has indicated that initially the reduction of hematite is a complex, surface controlled process, however once a thin layer of lower oxidation state iron oxides (magnetite, wüstite is formed on the surface, it changes to diffusion control. Artificial Neural Network (ANN has proved to be a convenient tool for modeling of this complex, heterogeneous reaction runs within the both (kinetic and diffusion regions, correctly considering influence of temperature and gas composition effects and their complex interactions. ANN's model shows the capability to mimic some extreme (minimum of the reaction rate within the determined temperature window, while the Arrhenius dependency is of limited use.

Fe and Mn Transport and Settling Modelling in the Upper Course of the Lerma River

Directory of Open Access Journals (Sweden)

García-Aragón Juan Antonio

2013-06-01

Full Text Available A metal transport and deposition model together with concentration measurements of Fe and Mn was developed in the Upper Course of the Lerma River, Mexico State. The hydraulic sections of 27.9 km of the Lerma River were measured in the field in order to supply the numerical model. A general mass balance equation considering full mixing in selected reaches of the Lerma River was developed and solved using the finite-difference method. At the same time a sampling campaign of water and sediment allowed us to obtain Fe and Mn concentrations in each phase. Metal concentrations were obtained by Energy Dispersive X-Ray Fluorescence Method (EDXRF. Partition coefficients for water and suspended sediment and for water and deposited sediment were calculated. Well defined periods and areas of deposition of Fe and Mn were obtained by the transport model and the spatial variation of the partition coefficients agree with the pattern obtained in the simulation. It is concluded that the current practice of constant values of the partition coefficients could not be used in modelling transport and deposition of metals if we are dealing with hydrologic extreme events and river sediment deposition areas.

Magnetic response of FeNbCuBSi RQ ribbons to bi-axial strain

Energy Technology Data Exchange (ETDEWEB)

Butvin, P. E-mail: fyzipbut@nic.savba.sk; Butvinova, B.; Frait, Z.; Sitek, J.; Svec, P

2000-06-02

Nanocrystalline strip samples of the FeNbCuBSi class that are macroscopically heterogeneous due to surface /volume differences have been investigated. This heterogeneity is found to be a general property of the class. It represents a base for mutual force influence between the surface and the majority volume beneath. The bi-axial in-plane stress exerted by the ribbon surfaces on the volume is demonstrated first of all by a magnetoelastic anisotropy. The contribution of the creep-induced anisotropy, which can build up under the surface stress at post-treatment temperature, is also found possible.

Magnetic response of FeNbCuBSi RQ ribbons to bi-axial strain

International Nuclear Information System (INIS)

Butvin, P.; Butvinova, B.; Frait, Z.; Sitek, J.; Svec, P.

2000-01-01

Nanocrystalline strip samples of the FeNbCuBSi class that are macroscopically heterogeneous due to surface /volume differences have been investigated. This heterogeneity is found to be a general property of the class. It represents a base for mutual force influence between the surface and the majority volume beneath. The bi-axial in-plane stress exerted by the ribbon surfaces on the volume is demonstrated first of all by a magnetoelastic anisotropy. The contribution of the creep-induced anisotropy, which can build up under the surface stress at post-treatment temperature, is also found possible

Precision Glass Molding: Validation of an FE Model for Thermo-Mechanical Simulation

DEFF Research Database (Denmark)

Sarhadi, Ali; Hattel, Jesper Henri; Hansen, Hans Nørgaard

2014-01-01

glass molding process including heating, pressing, and cooling stages. Temperature- dependent viscoelastic and structural relaxation behavior of the glass material are implemented through a FORTRAN material subroutine (UMAT) into the commercial FEM program ABAQUS, and the FE model is validated...

Macroscopic-microscopic energy of rotating nuclei in the fusion-like deformation valley

International Nuclear Information System (INIS)

Gherghescu, R.A.; Royer, Guy

2000-01-01

The energy of rotating nuclei in the fusion-like deformation valley has been determined within a liquid drop model including the proximity energy, the two-center shell model and the Strutinsky method. The potential barriers of the 84 Zr, 132 Ce, 152 Dy and 192 Hg nuclei have been determined. A first minimum having a microscopic origin and lodging the normally deformed states disappears with increasing angular momenta. The microscopic and macroscopic energies contribute to generate a second minimum where superdeformed states may survive. It becomes progressively the lowest one at intermediate spins. At higher angular momenta, the minimum moves towards the foot of the external fission barrier leading to hyperdeformed quasi-molecular states. (author)

Macroscopic numerical simulation model of multi-constituent fluid flows in porous medium; Modele macroscopique de simulation numerique d'ecoulements de fluides multiconstituants en milieu poreux

Energy Technology Data Exchange (ETDEWEB)

Wilbois, B.

2003-07-01

In this work, a new model is built which allows to take into consideration the overall mass transfer phenomena (in particular convection) taking place inside a mixture of n{sub c} constituents in a porous medium. This model should allow to foresee the quantitative composition of fluids in oil fields and also to improve the knowledge of the flow of different species inside mixtures. The overall physical phenomena taking place at oil fields is explained in the first chapter. Chapter 2 recalls some thermodynamical notions at the equilibrium and outside equilibrium. These notions, necessary to understand the forecasting methods used by petroleum geologists, are described in chapter 3. This chapter includes also a bibliographic study about the methods of simulation of mass and heat transfers in porous media. In chapter 4, using the thermodynamical relations of irreversible processes described in chapter 2, a new type of macroscopic model allowing to describe the overall phenomena analyzed is developed. The numerical method used to solve this new system of equations is precised. Finally, chapter 5 proposes a set of cases for the validation of the uncoupled phenomena and some qualitative examples of modeling of coupled phenomena. (J.S.)

Modeling the SEI-formation on graphite electrodes in liFePO4 batteries

NARCIS (Netherlands)

Li, D.; Danilov, D.L.; Zhang, Zhongru; Chen, H.; Yang, Y.; Notten, P.H.L.

2015-01-01

An advanced model is proposed, describing the capacity losses of C6/LiFePO4 batteries under storage and cycling conditions. These capacity losses are attributed to the growth of a Solid Electrolyte Interface (SEI) at the surface of graphite particles in the negative electrode. The model assumes the

Domain wall magnetoresistance in BiFeO3 thin films measured by scanning probe microscopy.

Science.gov (United States)

Domingo, N; Farokhipoor, S; Santiso, J; Noheda, B; Catalan, G

2017-08-23

We measure the magnetotransport properties of individual 71° domain walls in multiferroic BiFeO 3 by means of conductive-atomic force microscopy (C-AFM) in the presence of magnetic fields up to one Tesla. The results suggest anisotropic magnetoresistance at room temperature, with the sign of the magnetoresistance depending on the relative orientation between the magnetic field and the domain wall plane. A consequence of this finding is that macroscopically averaged magnetoresistance measurements for domain wall bunches are likely to underestimate the magnetoresistance of each individual domain wall.

Experimental observation of the quantum behavior of a macroscopic degree of freedom

International Nuclear Information System (INIS)

Devoret, M.H.; Martinis, J.M.; Esteve, D.

1986-08-01

At Berkeley a series of experiments have been performed, that demonstrates the quantum behavior of one macroscopic degree of freedom, namely the phase difference across a current biased Josephson junction. Here we will focus on the praticalities involved in such a demonstration. The emphasis is put on the particular procedures used to solve the two problems of noise shielding and parameter determination. To begin, a short description of the macroscopic system investigated, the current biased Josephson junction is given

Thermodynamical properties and thermoelastic coupling of complex macroscopic structure

International Nuclear Information System (INIS)

Fabbri, M.; Sacripanti, A.

1996-11-01

Gross qualitative/quantitative analysis about thermodynamical properties and thermoelastic coupling (or elastocaloric effect) of complex macroscopic structure (running shoes) is performed by infrared camera. The experimental results showed the achievability of a n industrial research project

CuFeO2 formation using fused deposition modeling 3D printing and sintering technique

Science.gov (United States)

Salea, A.; Dasaesamoh, A.; Prathumwan, R.; Kongkaew, T.; Subannajui, K.

2017-09-01

CuFeO2 is a metal oxide mineral material which is called delafossite. It can potentially be used as a chemical catalyst, and gas sensing material. There are methods to fabricate CuFeO2 such as chemical synthesis, sintering, sputtering, and chemical vapor deposition. In our work, CuFeO2 is prepared by Fused Deposition Modeling (FDM) 3D printing. The composite filament which composed of Cu and Fe elements is printed in three dimensions, and then sintered and annealed at high temperature to obtain CuFeO2. Suitable polymer blend and maximum percent volume of metal powder are studied. When percent volume of metal powder is increased, melt flow rate of polymer blend is also increased. The most suitable printing condition is reported and the properties of CuFeO2 are observed by Scanning Electron Microscopy, and Dynamic Scanning Calorimeter, X-ray diffraction. As a new method to produce semiconductor, this technique has a potential to allow any scientist or students to design and print a catalyst or sensing material by the most conventional 3D printing machine which is commonly used around the world.

Multiscale modeling of the influence of Fe content in a Al-Si-Cu alloy on the size distribution of intermetallic phases and micropores

International Nuclear Information System (INIS)

Wang Junsheng; Lee, Peter D.; Li Mei; Allison, John

2010-01-01

A multiscale model was developed to simulate the formation of Fe-rich intermetallics and pores in quaternary Al-Si-Cu-Fe alloys. At the microscale, the multicomponent diffusion equations were solved for multiphase (liquid-solid-gas) materials via a finite difference framework to predict microstructure formation. A fast and robust decentered plate algorithm was developed to simulate the strong anisotropy of the solid/liquid interfacial energy for the Fe-rich intermetallic phase. The growth of porosity was controlled by local pressure drop due to solidification and interactions with surrounding solid phases, in addition to hydrogen diffusion. The microscale model was implemented as a subroutine in a commercial finite element package, producing a coupled multiscale model. This allows the influence of varying casting conditions on the Fe-rich intermetallics, the pores, and their interactions to be predicted. Synchrotron x-ray tomography experiments were performed to validate the model by comparing the three-dimensional morphology and size distribution of Fe-rich intermetallics as a function of Fe content. Large platelike Fe-rich β intermetallics were successfully simulated by the multiscale model and their influence on pore size distribution in shape castings was predicted as a function of casting conditions.

Can We Advance Macroscopic Quantum Systems Outside the Framework of Complex Decoherence Theory?

Science.gov (United States)

Brezinski, Mark E; Rupnick, Maria

2016-01-01

Macroscopic quantum systems (MQS) are macroscopic systems driven by quantum rather than classical mechanics, a long studied area with minimal success till recently. Harnessing the benefits of quantum mechanics on a macroscopic level would revolutionize fields ranging from telecommunication to biology, the latter focused on here for reasons discussed. Contrary to misconceptions, there are no known physical laws that prevent the development of MQS. Instead, they are generally believed universally lost in complex systems from environmental entanglements (decoherence). But we argue success is achievable MQS with decoherence compensation developed, naturally or artificially, from top-down rather current reductionist approaches. This paper advances the MQS field by a complex systems approach to decoherence. First, why complex system decoherence approaches (top-down) are needed is discussed. Specifically, complex adaptive systems (CAS) are not amenable to reductionist models (and their master equations) because of emergent behaviour, approximation failures, not accounting for quantum compensatory mechanisms, ignoring path integrals, and the subentity problem. In addition, since MQS must exist within the context of the classical world, where rapid decoherence and prolonged coherence are both needed. Nature has already demonstrated this for quantum subsystems such as photosynthesis and magnetoreception. Second, we perform a preliminary study that illustrates a top-down approach to potential MQS. In summary, reductionist arguments against MQS are not justifiable. It is more likely they are not easily detectable in large intact classical systems or have been destroyed by reductionist experimental set-ups. This complex systems decoherence approach, using top down investigations, is critical to paradigm shifts in MQS research both in biological and non-biological systems. PMID:29200743

Ab initio and Atomic kinetic Monte Carlo modelling of segregation in concentrated FeCrNi alloys

Science.gov (United States)

Piochaud, J. B.; Becquart, C. S.; Domain, C.

2014-06-01

Internal structure of pressurised water reactors are made of austenitic materials. Under irradiation, the microstructure of these concentrated alloys evolves and solute segregation on grain boundaries or irradiation defects such as dislocation loops are observed to take place. In order to model and predict the microstructure evolution, a multiscale modelling approach needs to be developed, which starts at the atomic scale. Atomic Kinetic Monte Carlo (AKMC) modelling is the method we chose to provide an insight on defect mediated diffusion under irradiation. In that approach, we model the concentrated commercial steel as a FeCrNi alloy (γ-Fe70Cr20Ni10). As no reliable empirical potential exists at the moment to reproduce faithfully the phase diagram and the interactions of the elements and point defects, we have adjusted a pair interaction model on large amount of DFT calculations. The point defect properties in the Fe70Cr20Ni10, and more precisely, how their formation energy depends on the local environment will be presented and some AKMC results on thermal non equilibrium segregation and radiation induce segregation will be presented. The effect of Si on the segregation will also be discussed.

Macroscopic phase separation in high-temperature superconductors

Science.gov (United States)

Wen, Hai-Hu

2000-01-01

High-temperature superconductivity is recovered by introducing extra holes to the Cu-O planes, which initially are insulating with antiferromagnetism. In this paper I present data to show the macroscopic electronic phase separation that is caused by either mobile doping or electronic instability in the overdoped region. My results clearly demonstrate that the electronic inhomogeneity is probably a general feature of high-temperature superconductors. PMID:11027323

Magnetic behavior of NixFe(100-x) (65=

International Nuclear Information System (INIS)

Navas, D.; Asenjo, A.; Jaafar, M.; Pirota, K.R.; Hernandez-Velez, M.; Sanz, R.; Lee, W.; Nielsch, K.; Batallan, F.; Vazquez, M.

2005-01-01

Arrays of magnetic nanowires with composition Ni x Fe (100-x) (65= 2 and 105nm lattice parameter of hexagonal symmetry, is achieved by self-ordering process, and characterized by SEM and AFM. Magnetic behavior of the arrays has been determined by VSM. Maximum coercivity of around 1.23kOe and reduced remanence (about 0.8 saturation magnetization) is observed for x=77, while minimum values are observed for x=100. Detailed AFM and MFM studies allow us to gain additional information of the filling degree of pores which can result in a distributed nanowires length that finally correlates with a deterioration of macroscopic magnetic behavior of the array

Stereodynamics: From elementary processes to macroscopic chemical reactions

Energy Technology Data Exchange (ETDEWEB)

Kasai, Toshio [Department of Chemistry, National Taiwan University, Taipei 106, Taiwan (China); Graduate School of Science, Department of Chemistry, Osaka University, Toyonaka, 560-0043 Osaka (Japan); Che, Dock-Chil [Graduate School of Science, Department of Chemistry, Osaka University, Toyonaka, 560-0043 Osaka (Japan); Tsai, Po-Yu [Department of Chemistry, National Taiwan University, Taipei 106, Taiwan (China); Department of Chemistry, National Chung Hsing University, Taichung 402, Taiwan (China); Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 106, Taiwan (China); Lin, King-Chuen [Department of Chemistry, National Taiwan University, Taipei 106, Taiwan (China); Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 106, Taiwan (China); Palazzetti, Federico [Scuola Normale Superiore, Pisa (Italy); Dipartimento di Chimica Biologia e Biotecnologie, Università di Perugia, 06123 Perugia (Italy); Aquilanti, Vincenzo [Dipartimento di Chimica Biologia e Biotecnologie, Università di Perugia, 06123 Perugia (Italy); Istituto di Struttura della Materia, Consiglio Nazionale delle Ricerche, Roma (Italy); Instituto de Fisica, Universidade Federal da Bahia, Salvador (Brazil)

2015-12-31

This paper aims at discussing new facets on stereodynamical behaviors in chemical reactions, i.e. the effects of molecular orientation and alignment on reactive processes. Further topics on macroscopic processes involving deviations from Arrhenius behavior in the temperature dependence of chemical reactions and chirality effects in collisions are also discussed.

Microcracking and macroscopic failure in intermetallic titanium aluminides; Mikrorissbildung und makroskopisches Versagen in intermetallischen Titanaluminiden

Energy Technology Data Exchange (ETDEWEB)

Wiesand-Valk, B. [GKSS-Forschungszentrum Geesthacht GmbH (Germany). Inst. fuer Werkstofforschung

2000-07-01

This paper deals with the correlations between microstructural disorder, that means statistical distribution of phases and local material properties, and macroscopic failure of disordered multiphase materials. On a microscopic level the microstructural disorder leads to randomly distributed local damage before failure (in brittle materials to microcracks) and eventually to localisation of damage. On a macroscopic level the value and scatter of fracture strength and its dependence on specimen size are essentially determined by the microstructural disorder. The failure behaviour is treated by using the discrete chain-of-bundles-model, which treats the details of the microstructure not explicitly but as locally distributed fluctuations of characteristical material parameters. The model has been verified by comparing with experimental results for four intermetallic titanium aluminides and its validity has been demonstrated. (orig.) [German] Die Arbeit behandelt die Zusammenhaenge zwischen der Stochastizitaet des Gefueges, das heisst, einer statistischen Verteilung von Phasen und lokalen Materialeigenschaften und dem makroskopischen Versagen von ungeordneten mehrphasigen Werkstoffen. Auf mikroskopischer Ebene fuehrt die Stochastizitaet des Gefueges vor dem Versagen zu lokalen Schaedigungen (in sproeden Werkstoffen zu Mikrorissen) und schliesslich (abhaengig vom Grad der Unordnung) zur Lokalisierung des Bruchgeschehens. Makroskopisch werden die Groesse und Streuung von Bruchfestigkeitswerten und ihre Probengroessenabhaengigkeit durch die mikrostrukturelle Unordnung wesentlich bestimmt. Dieses Versagensverhalten wird in dem diskreten Chain-of-Bundles-Modell beschrieben, das die Details der Mikrostruktur nicht explizit sondern als lokale statistische Schwankungen von charakteristischen Werkstoffparametern erfasst. Am Beispiel von vier ausgewaehlten Titan-Aluminiden wird das Modell validiert und verifiziert. (orig.)

Macroscopic electrical field distribution and field-induced surface stresses of needle-shaped field emitters

Energy Technology Data Exchange (ETDEWEB)

Moy, Charles K.S., E-mail: charles.moy@sydney.edu.au [Australian Centre for Microscopy and Microanalysis, The University of Sydney, Sydney, NSW 2006 (Australia); ARC Centre of Excellence for Design in Light Metals, The University of Sydney, Sydney, NSW 2006 (Australia); School of Civil Engineering, The University of Sydney, Sydney, NSW 2006 (Australia); Ranzi, Gianluca [ARC Centre of Excellence for Design in Light Metals, The University of Sydney, Sydney, NSW 2006 (Australia); School of Civil Engineering, The University of Sydney, Sydney, NSW 2006 (Australia); Petersen, Timothy C. [Australian Centre for Microscopy and Microanalysis, The University of Sydney, Sydney, NSW 2006 (Australia); Ringer, Simon P. [Australian Centre for Microscopy and Microanalysis, The University of Sydney, Sydney, NSW 2006 (Australia); ARC Centre of Excellence for Design in Light Metals, The University of Sydney, Sydney, NSW 2006 (Australia)

2011-05-15

One major concern since the development of the field ion microscope is the mechanical strength of the specimens. The macroscopic shape of the imaging tip greatly influences field-induced stresses and there is merit in further study of this phenomenon from a classical perspective. Understanding the geometrical, as opposed to localized electronic, factors that affect the stress might improve the quality and success rate of atom probe experiments. This study uses macroscopic electrostatic principles and finite element modelling to investigate field-induced stresses in relation to the shape of the tip. Three two-dimensional idealized models are considered, namely hyperbolic, parabolic and sphere-on-orthogonal-cone; the shapes of which are compared to experimental tips prepared by electro-polishing. Three dimensional morphologies of both a nano-porous and single-crystal aluminium tip are measured using electron tomography to quantitatively test the assumption of cylindrical symmetry for electro-polished tips. The porous tip was prepared and studied to demonstrate a fragile specimen for which such finite element studies could determine potential mechanical failure, prior to any exhaustive atom probe investigation. -- Research highlights: {yields} We use electrostatic principles and finite element to model field-induced stresses. {yields} We study two-dimensional idealized needle-shaped field emitters. {yields} Stress distribution of hyperbolic, parabolic and sphere-on-orthogonal-cone tips mapped. {yields} Electron tomography to obtain the morphology of three-dimensional aluminium tips. {yields} Studies of the morphology of the porous tip demonstrate a fragile specimen.

Probing Fe (III)/Fe (II) redox potential in a clayey material

International Nuclear Information System (INIS)

Tournassat, Christophe; Chainet, Fabien; Betelu, Stephanie; Hadi, Jebril; Gaucher, Eric C.; Ignatiadis, Ioannis; Greneche, Jean-Marc; Charlet, Laurent

2010-01-01

Document available in extended abstract form only. Redox is one of the main factors affecting the migration of redox-sensitive radionuclides. As a consequence reducing conditions are considered of strategic importance for the confinement properties of a clayey formation towards nuclear waste. A representative redox potential of clay formation such as Callovian- Oxfordian (COx) can be derived from thermodynamic calculations considering equilibrium between observed redox phases such as pyrite and siderite. However, there is little information on the reactivity of the different reservoirs of redox constituents in this type of complex material. The present study aims at investigating the reactivity of the Fe(III)/Fe(II) redox couple in the structure of clay minerals using different investigation methods: electrochemistry and O 2 reduction kinetic experiments. Clay modified electrodes were specifically designed to probe Fe(III)/Fe(II) redox potential in the structure of clay minerals. The clay fraction of a Callovian-Oxfordian argillite sample originating from the same level than ANDRA underground research laboratory was used after pre-treatment to remove organic matter and accessory minerals such as pyrite that could influence redox potential measurements. These electrodes were used to verify the validity of the model of Favre et al. (2006) that links the redox potential (E clay ) to the the Fe(II)/Fe tot ratio in the structure (m rel ), the pH and the sodium concentration in solution: equation 1. The good agreement between direct potential measurements and model prediction provides a strong evidence of the relevance of this model in our experimental conditions although the clay composition and its too low Fe content do not a priori fulfil the conditions set by Drits and Manceau (2000) for the calculation of K 0 parameter. Following the verification of the model, we tried to apply it to the specific case of a Callovian-Oxfordian sample that had been very well preserved

On the mechanism of twin formation in Fe-Mn-C TWIP steels

International Nuclear Information System (INIS)

Idrissi, H.; Renard, K.; Ryelandt, L.; Schryvers, D.; Jacques, P.J.

2010-01-01

Although it is well known that Fe-Mn-C TWIP steels exhibit high work-hardening rates, the elementary twinning mechanisms controlling the plastic deformation of these steels have still not been characterized. The aim of the present study is to analyse the extended defects related to the twinning occurrence using transmission electron microscopy. Based on these observations, the very early stage of twin nucleation can be attributed to the pole mechanism with deviation proposed by Cohen and Weertman or to the model of Miura, Takamura and Narita, while the twin growth is controlled by the pole mechanism proposed by Venables. High densities of sessile Frank dislocations are observed within the twins at the early stage of deformation, which can affect the growth and the stability of the twins, but also the strength of these twins and their interactions with the gliding dislocations present in the matrix. This experimental evidence is discussed and compared to recent results in order to relate the defects analysis to the macroscopic behaviour of this category of material.

Microstructure and Mechanical Properties of n-irradiated Fe-Cr Model Alloys

International Nuclear Information System (INIS)

Matijasevic, Milena; Al Mazouzi, Abderrahim

2008-01-01

High chromium ( 9-12 wt %) ferritic/martensitic steels are candidate structural materials for future fusion reactors and other advanced systems such as accelerator driven systems (ADS). Their use for these applications requires a careful assessment of their mechanical stability under high energy neutron irradiation and in aggressive environments. In particular, the Cr concentration has been shown to be a key parameter to be optimized in order to guarantee the best corrosion and swelling resistance, together with the least embrittlement. In this work, the characterization of the neutron irradiated Fe-Cr model alloys with different Cr % with respect to microstructure and mechanical tests will be presented. The behavior of Fe-Cr alloys have been studied using tensile tests at different temperature range ( from -160 deg. C to 300 deg. C). Irradiation-induced microstructure changes have been studied by TEM for two different irradiation doses at 300 deg. C. The density and the size distribution of the defects induced have been determined. The tensile test results indicate that Cr content affects the hardening behavior of Fe-Cr binary alloys. Hardening mechanisms are discussed in terms of Orowan type of approach by correlating TEM data to the measured irradiation hardening. (authors)

A strict experimental test of macroscopic realism in a superconducting flux qubit.

Science.gov (United States)

Knee, George C; Kakuyanagi, Kosuke; Yeh, Mao-Chuang; Matsuzaki, Yuichiro; Toida, Hiraku; Yamaguchi, Hiroshi; Saito, Shiro; Leggett, Anthony J; Munro, William J

2016-11-04

Macroscopic realism is the name for a class of modifications to quantum theory that allow macroscopic objects to be described in a measurement-independent manner, while largely preserving a fully quantum mechanical description of the microscopic world. Objective collapse theories are examples which aim to solve the quantum measurement problem through modified dynamical laws. Whether such theories describe nature, however, is not known. Here we describe and implement an experimental protocol capable of constraining theories of this class, that is more noise tolerant and conceptually transparent than the original Leggett-Garg test. We implement the protocol in a superconducting flux qubit, and rule out (by ∼84 s.d.) those theories which would deny coherent superpositions of 170 nA currents over a ∼10 ns timescale. Further, we address the 'clumsiness loophole' by determining classical disturbance with control experiments. Our results constitute strong evidence for the superposition of states of nontrivial macroscopic distinctness.

Dipolar-induced interplay between inter-level physics and macroscopic phase transitions in triple-well potentials

International Nuclear Information System (INIS)

Zhang Aixia; Xue Jukui

2012-01-01

We propose a scheme to reveal the interplay between dipole–dipole interaction (DDI), inter-level coupling and macroscopic phase transitions in dipolar condensates. By considering a macroscopic sample of dipolar bosons in triple-well potentials, DDI-induced coupling between the inter-level physics and the macroscopic phase transitions is presented. When the DDI exceeds certain thresholds, the degeneracy of the two lowest energy levels and the excitation of new eigenstates occur, respectively. Interestingly, these thresholds give the boundaries of various quantum phase transitions. That is, the quantum phase transitions are the consequence of the levels' degeneracy and the new eigenstates' excitation. Furthermore, DDI-induced long-range macroscopic Josephson oscillations are observed and long-range coherent quantum transportation is achieved. Our results give clear proof of the interplay between the multi-level physics and quantum phase transitions, and also provide a way for designing the long-range coherent quantum transportation. (paper)

Thermodynamical Properties of 56Fe

International Nuclear Information System (INIS)

Tavukcu, E.; Becker, J.A.; Bernstein, L.A.; Garrett, P.E.; Guttormsen, M.; Mitchell, G.E.; Rekstad, J.; Schiller, A.; Siem, S.; Voinov, A.; Younes, W.

2002-01-01

Average nuclear level densities close to the nuclear binding energy in 56 Fe and 57 Fe are extracted from primary γ-ray spectra. Thermal properties of 56 Fe are studied within the statistical canonical ensemble. The experimental heat capacity is compared with the theoretical heat capacity calculated within the shell model Monte Carlo approach

Inverse Bayesian inference as a key of consciousness featuring a macroscopic quantum logical structure.

Science.gov (United States)

Gunji, Yukio-Pegio; Shinohara, Shuji; Haruna, Taichi; Basios, Vasileios

2017-02-01

To overcome the dualism between mind and matter and to implement consciousness in science, a physical entity has to be embedded with a measurement process. Although quantum mechanics have been regarded as a candidate for implementing consciousness, nature at its macroscopic level is inconsistent with quantum mechanics. We propose a measurement-oriented inference system comprising Bayesian and inverse Bayesian inferences. While Bayesian inference contracts probability space, the newly defined inverse one relaxes the space. These two inferences allow an agent to make a decision corresponding to an immediate change in their environment. They generate a particular pattern of joint probability for data and hypotheses, comprising multiple diagonal and noisy matrices. This is expressed as a nondistributive orthomodular lattice equivalent to quantum logic. We also show that an orthomodular lattice can reveal information generated by inverse syllogism as well as the solutions to the frame and symbol-grounding problems. Our model is the first to connect macroscopic cognitive processes with the mathematical structure of quantum mechanics with no additional assumptions. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Macroscopic effects in electromagnetically-induced transparency in a Doppler-broadened system

International Nuclear Information System (INIS)

Pei Li-Ya; Qu Yi-Zhi; Niu Jin-Yan; Wang Ru-Quan; Wu Ling-An; Fu Pan-Ming; Zuo Zhan-Chun

2015-01-01

We study the electromagnetically-induced transparency (EIT) in a Doppler-broadened cascaded three-level system. We decompose the susceptibility responsible for the EIT resonance into a linear and a nonlinear part, and the EIT resonance reflects mainly the characteristics of the nonlinear susceptibility. It is found that the macroscopic polarization interference effect plays a crucial role in determining the EIT resonance spectrum. To obtain a Doppler-free spectrum there must be polarization interference between atoms of different velocities. A dressed-state model, which analyzes the velocities at which the atoms are in resonance with the dressed states through Doppler frequency shifting, is employed to explain the results. (paper)

Macroscopic properties of model disordered materials

International Nuclear Information System (INIS)

Knackstedt, M.A.; Roberts, A.P.

1996-01-01

Disordered materials are ubiquitous in nature and in industry. Soils, sedimentary rocks, wood, bone, polymer composites, foams, catalysts, gels, concretes and ceramics have properties that depend on material structure. Present techniques for predicting properties are limited by the theoretical and computational difficulty of incorporating a realistic description of material structure. A general model for microstructure was recently proposed by Berk [Berk, Phys.Rev.A, 44 5069 (1991)]. The model is based on level cuts of a Gaussian random field with arbitrary spectral density. The freedom in specifying the parameters of the model allows the modeling of physical materials with diverse morphological characteristics. We have shown that the model qualitatively accounts for the principal features of a wider variety of disordered materials including geologic media, membranes, polymer blends, ceramics and foams. Correlation functions are derived for the model microstructure. From this characterisation we derive mechanical and conductive properties of the materials. Excellent agreement with experimentally measured properties of disordered solids is obtained. The agreement provides a strong hint that it is now possible to correlate effective physical properties of porous solids to microstructure. Simple extensions to modelling properties of non-porous multicomponent blends; metal alloys, ceramics, metal/matrix and polymer composites are also discussed

Magnetic properties of the CrMnFeCoNi high-entropy alloy

International Nuclear Information System (INIS)

Schneeweiss, Oldřich; Friák, Martin; Masaryk University, Brno; Dudová, Marie; Holec, David

2017-01-01

In this paper, we present experimental data showing that the equiatomic CrMnFeCoNi high-entropy alloy undergoes two magnetic transformations at temperatures below 100 K while maintaining its fcc structure down to 3 K. The first transition, paramagnetic to spin glass, was detected at 93 K and the second transition of the ferromagnetic type occurred at 38 K. Field-assisted cooling below 38 K resulted in a systematic vertical shift of the hysteresis curves. Strength and direction of the associated magnetization bias was proportional to the strength and direction of the cooling field and shows a linear dependence with a slope of 0.006 ± 0.001 emu T. The local magnetic moments of individual atoms in the CrMnFeCoNi quinary fcc random solid solution were investigated by ab initio (electronic density functional theory) calculations. Results of the numerical analysis suggest that, irrespective of the initial configuration of local magnetic moments, the magnetic moments associated with Cr atoms align antiferromagnetically with respect to a cumulative magnetic moment of their first coordination shell. The ab initio calculations further showed that the magnetic moments of Fe and Mn atoms remain strong (between 1.5 and 2 μ B ), while the local moments of Ni atoms effectively vanish. Finally, these results indicate that interactions of Mn- and/or Fe-located moments with the surrounding magnetic structure account for the observed macroscopic magnetization bias.

Modelling phase separation in Fe-Cr system using different atomistic kinetic Monte Carlo techniques

International Nuclear Information System (INIS)

Castin, N.; Bonny, G.; Terentyev, D.; Lavrentiev, M.Yu.; Nguyen-Manh, D.

2011-01-01

Atomistic kinetic Monte Carlo (AKMC) simulations were performed to study α-α' phase separation in Fe-Cr alloys. Two different energy models and two approaches to estimate the local vacancy migration barriers were used. The energy models considered are a two-band model Fe-Cr potential and a cluster expansion, both fitted to ab initio data. The classical Kang-Weinberg decomposition, based on the total energy change of the system, and an Artificial Neural Network (ANN), employed as a regression tool were used to predict the local vacancy migration barriers 'on the fly'. The results are compared with experimental thermal annealing data and differences between the applied AKMC approaches are discussed. The ability of the ANN regression method to accurately predict migration barriers not present in the training list is also addressed by performing cross-check calculations using the nudged elastic band method.

Magnetic properties of Fe/NiO/Fe(001) trilayers

International Nuclear Information System (INIS)

Biagioni, P.; Brambilla, A.; Portalupi, M.; Rougemaille, N.; Schmid, A.K.; Lanzara, A.; Vavassori, P.; Zani, M.; Finazzi, M.; Duo, L.; Ciccacci, F.

2005-01-01

We have investigated the magnetic properties of epitaxially grown Fe/NiO/Fe(001) trilayers, for different thicknesses of the NiO spacer. Magneto Optical Kerr Effect has been exploited to study the in-plane magnetization reversal processes in the iron layers. We found that the NiO thickness t AFM has a critical value t C for the magnetic coupling between the Fe layers: for t AFM C the magnetization directions align perpendicularly, with zero applied field, while the alignment is collinear for thicker spacers. A phenomenological model has been developed to reproduce and discuss the results. Complementary information has been obtained by means of spin polarized low energy electron microscopy

Magnetic properties of Fe/NiO/Fe(001) trilayers

Energy Technology Data Exchange (ETDEWEB)

Biagioni, P [INFM - Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milan (Italy); Brambilla, A [INFM - Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milan (Italy); Portalupi, M [INFM - Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milan (Italy); Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Rougemaille, N [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Schmid, A K [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Lanzara, A [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Department of Physics, University of California at Berkeley, Berkeley, CA 94720 (United States); Vavassori, P [INFM - Dipartimento di Fisica, Universita di Ferrara, Via Paradiso 12, 44100 Ferrara (Italy); Zani, M [INFM - Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milan (Italy); Finazzi, M [INFM - Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milan (Italy); Duo, L [INFM - Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milan (Italy); Ciccacci, F [INFM - Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milan (Italy)

2005-04-15

We have investigated the magnetic properties of epitaxially grown Fe/NiO/Fe(001) trilayers, for different thicknesses of the NiO spacer. Magneto Optical Kerr Effect has been exploited to study the in-plane magnetization reversal processes in the iron layers. We found that the NiO thickness t{sub AFM} has a critical value t{sub C} for the magnetic coupling between the Fe layers: for t{sub AFM}model has been developed to reproduce and discuss the results. Complementary information has been obtained by means of spin polarized low energy electron microscopy.

Thermodynamical properties of 56Fe

International Nuclear Information System (INIS)

Tavukcu, E.; Becker, J. A.; Bernstein, L. A.; Garrett, P. E.; Younes, W.; Guttormsen, M.; Rekstad, J.; Siem, S.; Mitchell, G. E.; Schiller, A.; Voinov, A.

2003-01-01

Average nuclear level densities close to the nuclear binding energy in 56Fe and 57Fe are extracted from primary γ-ray spectra. A step structure is observed in the level density for both isotopes, and is interpreted as breaking of Cooper pairs. Thermal properties of 56Fe are studied within the statistical canonical ensemble. The experimental heat capacity in 56Fe is compared with the theoretical heat capacity calculated within the shell model Monte Carlo approach

Modeling the degradation mechanisms of C6/LiFePO4 batteries

NARCIS (Netherlands)

Li, D.; Danilov, D.L.; Zwikirsch, B.; Fichtner, M.; Yang, Y.; Eichel, R.A.; Notten, P.H.L.

2018-01-01

A fundamental electrochemical model is developed, describing the capacity fade of C6/LiFePO4 batteries as a function of calendar time and cycling conditions. At moderate temperatures the capacity losses are mainly attributed to Li immobilization in Solid-Electrolyte-Interface (SEI) layers at the

Special relativity - the foundation of macroscopic physics

International Nuclear Information System (INIS)

Dixon, W.G.

1978-01-01

This book aims to show that an understanding of the basic laws of macroscopic systems can be gained more easily within relativistic physics than within Newtonian physics. The unity of dynamics, thermodynamics and electromagnetism under the umbrella of special relativity is examined under chapter headings entitled: the physics of space and time, affine spaces in mathematics and physics, foundations of dynamics, relativistic simple fluids, and, electrodynamics of polarizable fluids. (U.K.)

Micromechanical study of macroscopic friction and dissipation in idealised granular materials: the effect of interparticle friction

NARCIS (Netherlands)

Kruyt, Nicolaas P.; Gutkowski, Witold; Rothenburg, L.; Kowalewski, Tomasz A.

2004-01-01

Using Discrete Element Method (DEM) simulations with varying interparticle friction coefficient, the relation between interparticle friction coefficient and macroscopic continuum friction and dissipation is investigated. As expected, macroscopic friction and dilatancy increase with interparticle

Study of the reaction of astrophysical interest 60Fe(n,γ)61Fe via (d,pγ) transfer reaction

International Nuclear Information System (INIS)

Giron, S.

2011-12-01

60 Fe is of special interest in nuclear astrophysics. Indeed the recent observations of 60 Fe characteristic gamma-ray lines by the RHESSI and INTEGRAL spacecrafts allowed to measure the total flux of 60 Fe over the Galaxy. Moreover the observation in presolar grains of an excess of the daughter-nuclei of 60 Fe, 60 Ni, gives constraints on the conditions of formation of the early solar system. However, the cross-sections of some reactions involved in 60 Fe nucleosynthesis and included to stellar models are still uncertain. The destruction reaction of 60 Fe, 60 Fe(n, γ) 61 Fe, is one of them. The total cross-section can be separate into two contributions: the direct one, involving states below the neutron separation threshold of 61 Fe, and the resonant one.We improved 61 Fe spectroscopy in order to evaluate the direct capture part of the 60 Fe(n, γ) 61 Fe reaction cross-section. 60 Fe(n, γ) 61 Fe was thus studied via d( 60 Fe, pγ) 61 Fe transfer reaction with the CATS/MUST2/EXOGAM setup at LISE-GANIL. DWBA analysis of experimental proton differential cross-sections allowed to extract orbital angular momentum and spectroscopic factors of different populated states identified below the neutron threshold. A comparison of experimental results for 61 Fe with experimental results for similar nuclei and with shell-model calculations was also performed. (author) [fr

Structure of AlmFe

International Nuclear Information System (INIS)

Skjerpe, P.

1988-01-01

The metastable phase Al m Fe (m=4.9-4.4, bodycentred tetragonal, a=8.84, c=21.6 A) has been examined by transmission electron microscopy and high-resolution electron microscopy (HREM). Crystals, 1-10 μm in size, were extracted from a cast Al-0.25 wt%Fe-0.13wt%Si alloy of commercial purity. By the use of electron diffraction patterns, a possible structure model for Al m Fe was set up, assuming space group I4/mmm. The model was in qualitative agreement with diffraction patterns as well as HREM micrographs, recorded in and . Streaks along hhO in the diffraction patterns were ascribed to faults on (110). (orig.)

Thermodynamic assessment of the La-Fe-O system

DEFF Research Database (Denmark)

Povoden-Karadeniz, E.; Grundy, A.N.; Chen, Ming

2009-01-01

The La-Fe and the La-Fe-O systems are assessed using the Calphad approach, and the Gibbs energy functions of ternary oxides are presented. Oxygen and mutual La and Fe solubilities in body-centered cubic (bcc) and face-centered cubic (fcc) structured metallic phases are considered in the modeling......-sublattice model for ionic liquids. The calculated La-Fe phase diagram, LaO1.5-FeO x phase diagrams at different oxygen partial pressures, and phase equilibria of the La-Fe-O system at 873, 1073, and 1273 K as a function of oxygen partial pressures are presented....

Dimeric Fe (II, III) complex of quinoneoxime as functional model of PAP enzyme: Mössbauer, magneto-structural and DNA cleavage studies

Science.gov (United States)

Salunke-Gawali, Sunita; Ahmed, Khursheed; Varret, François; Linares, Jorge; Zaware, Santosh; Date, Sadgopal; Rane, Sandhya

2008-07-01

Purple acid phosphatase, ( PAP), is known to contain dinuclear Fe2 + 2, + 3 site with characteristic Fe + 3 ← Tyr ligand to metal charge transfer in coordination. Phthiocoloxime (3-methyl-2-hydroxy-1,4-naphthoquinone-1-oxime) ligand L, mimics (His/Tyr) ligation with controlled and unique charge transfers resulting in valence tautomeric coordination with mixed valent diiron site in model compound Fe-1: [μ-OH-Fe2 + 2, + 3 ( o-NQCH3ox) ( o-NSQCH3ox)2 (CAT) H2O]. Fe-2: [Fe + 3( o-NQCH3ox) ( p-NQCH3ox)2]2 a molecularly associated dimer of phthiocoloxime synthesized for comparison of charge transfer. 57Fe Mössbauer studies was used to quantitize unusual valences due to ligand in dimeric Fe-1 and Fe-2 complexes which are supported by EPR and SQUID studies. 57Fe Mössbauer spectra for Fe-1 at 300 K indicates the presence of two quadrupole split asymmetric doublets due to the differences in local coordination geometries of [Fe + 3]A and [Fe + 2]B sites. The hyperfine interaction parameters are δ A = 0.152, (Δ E Q)A = 0.598 mm/s with overlapping doublet at δ B = 0.410 and (Δ E Q)B = 0.468 mm/s. Due to molecular association tendency of ligand, dimer Fe-2 possesses 100% Fe + 3(h.s.) hexacoordinated configuration with isomer shift δ = 0.408 mm/s. Slightly distorted octahedral symmetry created by NQCH3ox ligand surrounding Fe + 3(h.s.) state generates small field gradient indicated by quadrupole split Δ E Q = 0.213 mm/s. Decrease of isomer shifts together with variation of quadrupole splits with temperature in Fe-1 dimer compared to Fe-2 is result of charge transfers in [Fe2 + 2, + 3 SQ] complexes. EPR spectrum of Fe-1 shows two strong signals at g 1 = 4.17 and g 2 = 2.01 indicative of S = 3/2 spin state with an intermediate spin of Fe + 3(h.s.) configuration. SQUID data of χ _m^{corr} .T were best fitted by using HDVV spin pair model S = 2, 3/2 resulting in antiferromagnetic exchange ( J = -13.5 cm - 1 with an agreement factor of R = 1.89 × 10 - 5). The lower J

A Physically-Based Equivalent Circuit Model for the Impedance of a LiFePO₄/Graphite 26650 Cylindrical Cell

DEFF Research Database (Denmark)

Scipioni, Roberto; Jørgensen, Peter Stanley; Graves, Christopher R.

2017-01-01

In this work an Equivalent Circuit Model (ECM) is developed and used to model impedance spectra measured on a commercial 26650 LiFePO4/Graphite cylindrical cell. The ECM is based on measurements and modeling of impedance spectra recorded separately on cathode (LiFePO4) and anode (Graphite) samples...

Parametric equations for calculation of macroscopic cross sections

International Nuclear Information System (INIS)

Botelho, Mario Hugo; Carvalho, Fernando

2015-01-01

Neutronic calculations of the core of a nuclear reactor is one thing necessary and important for the design and management of a nuclear reactor in order to prevent accidents and control the reactor efficiently as possible. To perform these calculations a library of nuclear data, including cross sections is required. Currently, to obtain a cross section computer codes are used, which require a large amount of processing time and computer memory. This paper proposes the calculation of macroscopic cross section through the development of parametric equations. The paper illustrates the proposal for the case of macroscopic cross sections of absorption (Σa), which was chosen due to its greater complexity among other cross sections. Parametric equations created enable, quick and dynamic way, the determination of absorption cross sections, enabling the use of them in calculations of reactors. The results show efficient when compared with the absorption cross sections obtained by the ALPHA 8.8.1 code. The differences between the cross sections are less than 2% for group 2 and less than 0.60% for group 1. (author)

A Model Study on the Possible Effects of an External Electrical Field on Enzymes Having Dinuclear Iron Cluster [2Fe-2S

Directory of Open Access Journals (Sweden)

Lemi Türker

2012-01-01

Full Text Available Hydrogenases which catalyze the H2 ↔ 2H+ + 2e− reaction are metalloenzymes that can be divided into two classes, the NiFe and Fe enzymes, on the basis of their metal content. Iron-sulfur clusters [2Fe-2S] and [4Fe-4S] are common in ironhydrogenases. In the present model study, [2Fe-2S] cluster has been considered to visualize the effect of external electric field on various quantum chemical properties of it. In the model, all the cysteinyl residues are in the amide form. The PM3 type semiempirical calculations have been performed for the geometry optimization of the model structure in the absence and presence of the external field. Then, single point DFT calculations (B3LYP/6-31+G(d have been carried out. Depending on the direction of the field, the chemical reactivity of the model enzyme varies which suggests that an external electric field could, under proper conditions, improve the enzymatic hydrogen production.

Kerr microscopy study of exchange-coupled FePt/Fe exchange spring magnets

Energy Technology Data Exchange (ETDEWEB)

Hussain, Zaineb; Kumar, Dileep [UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452001 (India); Reddy, V. Raghavendra, E-mail: varimalla@yahoo.com [UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452001 (India); Gupta, Ajay [Amity Center for Spintronic Materials, Amity University, Noida 201303 (India)

2017-05-15

Magnetization reversal and magnetic microstructure of top soft magnetic layer (Fe) in exchange spring coupled L1{sub 0} FePt/Fe is studied using high resolution Kerr microscopy. With remnant state of the hard magnetic layer (L1{sub 0} FePt) as initial condition, magnetization loops along with magnetic domains are recorded for the top soft magnetic layer (Fe) using Kerr microscopy. Considerable shifting of Fe layer hysteresis loop from center which is similar to exchange bias phenomena is observed. It is also observed that one can tune the magnitude of hysteresis shift by reaching the remanent state from different saturating fields (H{sub SAT}) and also by varying the angle between measuring field and H{sub SAT}. The hysteresis loops and magnetic domains of top soft Fe layer demonstrate unambiguously that soft magnetic layer at remanent state in such exchange coupled system is having unidirectional anisotropy. An analogy is drawn and the observations are explained in terms of established model of exchange bias phenomena framed for field-cooled ferromagnetic - antiferromagnetic bilayer systems. - Highlights: • Kerr microscopy of top soft magnetic Fe layer in exchange spring coupled L1{sub 0} FePt (30 nm)/Fe (22 nm) is reported. • Considerable shifting of Fe layer hysteresis loop from center which is similar to exchange bias phenomena is observed. • Tuneable nature of magnitude of hysteresis shift is shown. • It is unambiguously shown that the top soft Fe magnetic layer at remanent state is having unidirectional anisotropy.

Application of UV-irradiated Fe(III)-nitrilotriacetic acid (UV-Fe(III)NTA) and UV-NTA-Fenton systems to degrade model and natural occurring naphthenic acids.

Science.gov (United States)

Zhang, Ying; Chelme-Ayala, Pamela; Klamerth, Nikolaus; Gamal El-Din, Mohamed

2017-07-01

Naphthenic acids (NAs) are a highly complex mixture of organic compounds naturally present in bitumen and identified as the primary toxic constituent of oil sands process-affected water (OSPW). This work investigated the degradation of cyclohexanoic acid (CHA), a model NA compound, and natural occurring NAs during the UV photolysis of Fe(III)-nitrilotriacetic acid (UV-Fe(III)NTA) and UV-NTA-Fenton processes. The results indicated that in the UV-Fe(III)NTA process at pH 8, the CHA removal increased with increasing NTA dose (0.18, 0.36 and 0.72 mM), while it was independent of the Fe(III) dose (0.09, 0.18 and 0.36 mM). Moreover, the three Fe concentrations had no influence on the photolysis of the Fe(III)NTA complex. The main responsible species for the CHA degradation was hydroxyl radical (OH), and the role of dissolved O 2 in the OH generation was found to be negligible. Real OSPW was treated with the UV-Fe(III)NTA and UV-NTA-Fenton advanced oxidation processes (AOPs). The removals of classical NAs (O 2 -NAs), oxidized NAs with one additional oxygen atom (O 3 -NAs) and with two additional oxygen atoms (O 4 -NAs) were 44.5%, 21.3%, and 25.2% in the UV-Fe(III)NTA process, respectively, and 98.4%, 86.0%, and 81.0% in the UV-NTA-Fenton process, respectively. There was no influence of O 2 on the NA removal in these two processes. The results also confirmed the high reactivity of the O 2 -NA species with more carbons and increasing number of rings or double bond equivalents. This work opens a new window for the possible treatment of OSPW at natural pH using these AOPs. Copyright © 2017 Elsevier Ltd. All rights reserved.

NifI inhibits nitrogenase by competing with Fe protein for binding to the MoFe protein

International Nuclear Information System (INIS)

Dodsworth, Jeremy A.; Leigh, John A.

2007-01-01

Reduction of substrate by nitrogenase requires direct electron transfer from the Fe protein to the MoFe protein. Inhibition of nitrogenase activity in Methanococcus maripaludis occurs when the regulatory protein NifI 1,2 binds the MoFe protein. This inhibition is relieved by 2-oxoglutarate. Here we present evidence that NifI 1,2 binding prevents association of the two nitrogenase components. Increasing amounts of Fe protein competed with NifI 1,2 , decreasing its inhibitory effect. NifI 1,2 prevented the co-purification of MoFe protein with a mutant form of the Fe protein that forms a stable complex with the MoFe protein, and NifI 1,2 was unable to bind to an AlF 4 - -stabilized Fe protein:MoFe protein complex. NifI 1,2 inhibited ATP- and MoFe protein-dependent oxidation of the Fe protein, and 2OG relieved this inhibition. These results support a model where NifI 1,2 competes with the Fe protein for binding to MoFe protein and prevents electron transfer

Compressor Has No Moving Macroscopic Parts

Science.gov (United States)

Gasser, Max

1995-01-01

Compressor containing no moving macroscopic parts functions by alternating piston and valve actions of successive beds of magnetic particles. Fabricated easily because no need for precisely fitting parts rotating or sliding on each other. Also no need for lubricant fluid contaminating fluid to be compressed. Compressor operates continuously, eliminating troublesome on/off cycling of other compressors, and decreasing consumption of energy. Phased cells push fluid from bottom to top, adding increments of pressure. Each cell contains magnetic powder particles loose when electromagnet coil deenergized, but tightly packed when coil energized.

Ab initio and atomic kinetic Monte Carlo modelling of segregation in concentrated FeCrNi alloys

International Nuclear Information System (INIS)

Piochaud, J.B.; Becquart, C.S.; Domain, C.

2013-01-01

Internal structure of pressurised water reactors are made of austenitic materials. Under irradiation, the microstructure of these concentrated alloys evolves and solute segregation on grain boundaries or irradiation defects such as dislocation loops are observed to take place. In order to model and predict the microstructure evolution, a multi-scale modelling approach needs to be developed, which starts at the atomic scale. Atomic Kinetic Monte Carlo (AKMC) modelling is the method we chose to provide an insight on defect mediated diffusion under irradiation. In that approach, we model the concentrated commercial steel as a FeCrNi alloy (γ-Fe 70 Cr 20 Ni 10 ). As no reliable empirical potential exists at the moment to reproduce faithfully the phase diagram and the interactions of the elements and point defects, we have adjusted a pair interaction model on large amount of DFT (Density Functional Theory) calculations. The point defect properties in the Fe 70 Cr 20 Ni 10 , and more precisely, how their formation energy depends on the local environment will be presented and some AKMC results on thermal non equilibrium segregation (TNES) and radiation induce segregation will be presented. The effect of Si on the segregation will also be discussed. Preliminary results show that it is the solute- grain boundaries interactions which drive TNES

Macroscopic Fundamental Diagram for pedestrian networks : Theory and applications

NARCIS (Netherlands)

Hoogendoorn, S.P.; Daamen, W.; Knoop, V.L.; Steenbakkers, Jeroen; Sarvi, Majid

2017-01-01

The Macroscopic Fundamental diagram (MFD) has proven to be a powerful concept in understanding and managing vehicular network dynamics, both from a theoretical angle and from a more application-oriented perspective. In this contribution, we explore the existence and the characteristics of the

Constructing reservoir-scale 3D geomechanical FE-models. A refined workflow for model generation and calculation

Energy Technology Data Exchange (ETDEWEB)

Fischer, K.; Henk, A. [Technische Univ. Darmstadt (Germany). Inst. fuer Angewandte Geowissenschaften

2013-08-01

The tectonic stress field strongly affects the optimal exploitation of conventional and unconventional hydrocarbon reservoirs. Amongst others, wellbore stability, orientation of hydraulically induced fractures and - particularly in fractured reservoirs - permeability anisotropies depend on the magnitudes and orientations of the recent stresses. Geomechanical reservoir models can provide unique insights into the tectonic stress field revealing the local perturbations resulting from faults and lithological changes. In order to provide robust predictions, such numerical models are based on the finite element (FE) method and account for the complexities of real reservoirs with respect to subsurface geometry, inhomogeneous material distribution and nonlinear rock mechanical behavior. We present a refined workflow for geomechanical reservoir modeling which allows for an easier set-up of the model geometry, high resolution submodels and faster calculation times due to element savings in the load frame. Transferring the reservoir geometry from the geological subsurface model, e.g., a Petrel {sup registered} project, to the FE model represents a special challenge as the faults are discontinuities in the numerical model and no direct interface exists between the two software packages used. Point clouds displaying faults and lithostratigraphic horizons can be used for geometry transfer but this labor-intensive approach is not feasible for complex field-scale models with numerous faults. Instead, so-called Coon's patches based on horizon lines, i.e. the intersection lines between horizons and faults, are well suited to re-generate the various surfaces in the FE software while maintaining their topology. High-resolution submodels of individual fault blocks can be incorporated into the field-scale model. This allows to consider both a locally refined mechanical stratigraphy and the impact of the large-scale fault pattern. A pressure load on top of the model represents the

Intratumoral Macroscopic Fat and Hemorrhage Combination Useful in the Differentiation of Benign and Malignant Solid Renal Masses.

Science.gov (United States)

Sun, Jun; Xing, Zhaoyu; Xing, Wei; Zheng, Linfeng; Chen, Jie; Fan, Min; Chen, Tongbing; Zhang, Zhuoli

2016-03-01

To evaluate the value of combining the detection of intratumoral macroscopic fat and hemorrhage in the differentiation of the benign from malignant solid renal masses.Conventional magnetic resonance imaging (MRI), chemical shift (CS)-MRI, and susceptibility-weighted imaging were performed in 152 patients with 152 solid renal masses, including 48 benign and 104 malignant masses all pathologically confirmed. The presence of macroscopic fat detected by CS-MRI and hemorrhage detected by susceptibility-weighted imaging were evaluated in all masses. The rates of macroscopic fat and hemorrhage observed between benign and malignant masses were compared by a χ test. All masses found to contain macroscopic fat with or without hemorrhage were considered to be benign. The remaining masses (without macroscopic fat) found not to contain hemorrhage were considered to be benign. Only those found to contain hemorrhage alone were considered to be malignant. The evaluation indexes for differentiating and forecasting the benign and malignant masses were calculated.Significant differences in the rate of macroscopic fat (observed in 85.42% of benign masses vs. 0% of malignant masses) and hemorrhage (observed in 4.17% of benign masses vs. 95.19% of malignant masses) were measured in the benign and malignant groups (P benign and malignant masses were 96.05%, 95.19%, and 97.92%, respectively, and the accuracy and error rate of forecasting the benign and malignant masses were 95.39% and 4.61%, respectively.Combining the detection intratumoral macroscopic fat and hemorrhage can be used to differentiate the benign from malignant solid renal masses.

Evaluation of human thorax FE model in various impact scenarios

Directory of Open Access Journals (Sweden)

Jansová M.

2015-06-01

Full Text Available The study focused on the validation of the 50th percentile male model — a detailed FE model of the thoracic segment of the human body developed within project Development of a Finite Element Model of the Human Thorax and Upper Extremities (THOMO co-funded by the European Commission (7th Framework Programme. The model response was tested in three impact scenarios: frontal, lateral and oblique. The resulting impactor contact force vs. time and chest deflection vs. time responses were compared with experimental results. The strain profile of the 5th rib was checked with lateral and oblique strain profiles from post-mortem human subject (PMHS experiments. The influence of heart and lungs on the mechanical response of the model was assessed and the material data configuration, giving the most biofidelic thorax behaviour, was identified.

Analysis of the width correlation in 54Fe(nγ)55Fe reaction

International Nuclear Information System (INIS)

Knat'ko, V.A.; Shimanovich, E.A.

1982-01-01

To find out structural effects manifesting themselves in the form of correlation between widths of different channels of γ decay of levels and violation of Porter-Thomas distribution, calculated are partial widths of levels for 20 high-energy γ transitions in the 54 Fe(nγ) 55 Fe reaction. Calculations are carried out for widths in relation to γ transitions on 8 low p levels of 55 Fe, for 100 sets of partial γ widths (20 widths in a set). Results of analysis of theoretical values of partial γ widths of s resonances are presented in the form of the table. Results, obtained, show that consideration of contributions into γ decay of one-particle-vibrational configurations improve the accordance with experimental data, in comparison with calculations according to the model of valent capture. It is concluded that properties of γ widths of 55 Fe resonances, calculated in studied model, agree satisfactorily with properties of experimental γ widths [ru

A model of Fe speciation and biogeochemistry at the Tropical Eastern North Atlantic Time-Series Observatory site

Science.gov (United States)

Ye, Y.; Völker, C.; Wolf-Gladrow, D. A.

2009-10-01

A one-dimensional model of Fe speciation and biogeochemistry, coupled with the General Ocean Turbulence Model (GOTM) and a NPZD-type ecosystem model, is applied for the Tropical Eastern North Atlantic Time-Series Observatory (TENATSO) site. Among diverse processes affecting Fe speciation, this study is focusing on investigating the role of dust particles in removing dissolved iron (DFe) by a more complex description of particle aggregation and sinking, and explaining the abundance of organic Fe-binding ligands by modelling their origin and fate. The vertical distribution of different particle classes in the model shows high sensitivity to changing aggregation rates. Using the aggregation rates from the sensitivity study in this work, modelled particle fluxes are close to observations, with dust particles dominating near the surface and aggregates deeper in the water column. POC export at 1000 m is a little higher than regional sediment trap measurements, suggesting further improvement of modelling particle aggregation, sinking or remineralisation. Modelled strong ligands have a high abundance near the surface and decline rapidly below the deep chlorophyll maximum, showing qualitative similarity to observations. Without production of strong ligands, phytoplankton concentration falls to 0 within the first 2 years in the model integration, caused by strong Fe-limitation. A nudging of total weak ligands towards a constant value is required for reproducing the observed nutrient-like profiles, assuming a decay time of 7 years for weak ligands. This indicates that weak ligands have a longer decay time and therefore cannot be modelled adequately in a one-dimensional model. The modelled DFe profile is strongly influenced by particle concentration and vertical distribution, because the most important removal of DFe in deeper waters is colloid formation and aggregation. Redissolution of particulate iron is required to reproduce an observed DFe profile at TENATSO site

A model of Fe speciation and biogeochemistry at the Tropical Eastern North Atlantic Time-Series Observatory site

Directory of Open Access Journals (Sweden)

Y. Ye

2009-10-01

Full Text Available A one-dimensional model of Fe speciation and biogeochemistry, coupled with the General Ocean Turbulence Model (GOTM and a NPZD-type ecosystem model, is applied for the Tropical Eastern North Atlantic Time-Series Observatory (TENATSO site. Among diverse processes affecting Fe speciation, this study is focusing on investigating the role of dust particles in removing dissolved iron (DFe by a more complex description of particle aggregation and sinking, and explaining the abundance of organic Fe-binding ligands by modelling their origin and fate.

The vertical distribution of different particle classes in the model shows high sensitivity to changing aggregation rates. Using the aggregation rates from the sensitivity study in this work, modelled particle fluxes are close to observations, with dust particles dominating near the surface and aggregates deeper in the water column. POC export at 1000 m is a little higher than regional sediment trap measurements, suggesting further improvement of modelling particle aggregation, sinking or remineralisation.

Modelled strong ligands have a high abundance near the surface and decline rapidly below the deep chlorophyll maximum, showing qualitative similarity to observations. Without production of strong ligands, phytoplankton concentration falls to 0 within the first 2 years in the model integration, caused by strong Fe-limitation. A nudging of total weak ligands towards a constant value is required for reproducing the observed nutrient-like profiles, assuming a decay time of 7 years for weak ligands. This indicates that weak ligands have a longer decay time and therefore cannot be modelled adequately in a one-dimensional model.

The modelled DFe profile is strongly influenced by particle concentration and vertical distribution, because the most important removal of DFe in deeper waters is colloid formation and aggregation. Redissolution of particulate iron is required to reproduce an

Analysis of macroscopic and microscopic rotating motions in rotating jets: A direct numerical simulation

Directory of Open Access Journals (Sweden)

Xingtuan Yang

2015-05-01

Full Text Available A direct numerical simulation study of the characteristics of macroscopic and microscopic rotating motions in swirling jets confined in a rectangular flow domain is carried out. The different structures of vortex cores for different swirl levels are illustrated. It is found that the vortex cores of low swirl flows are of regular cylindrical-helix patterns, whereas those of the high swirl flows are characterized by the formation of the bubble-type vortex breakdown followed by the radiant processing vortex cores. The results of mean velocity fields show the general procedures of vortex origination. Moreover, the effects of macroscopic and microscopic rotating motions with respect to the mean and fluctuation fields of the swirling flows are evaluated. The microscopic rotating effects, especially the effects with respect to the turbulent fluctuation motion, are increasingly intermittent with the increase in the swirl levels. In contrast, the maximum value of the probability density functions with respect to the macroscopic rotating effects of the fluctuation motion occurs at moderate swirl levels since the macroscopic rotating effects are attenuated by the formation of the bubble vortex breakdown with a region of stagnant fluids at supercritical swirl levels.

Coherent tunneling of Bose-Einstein condensates: Exact solutions for Josephson effects and macroscopic quantum self-trapping

International Nuclear Information System (INIS)

Raghavan, S.; Fantoni, S.; Shenoy, S.R.; Smerzi, A.

1997-07-01

We consider coherent atomic tunneling between two weakly coupled Bose-Einstein condensates (BEC) at T = 0 in (possibly asymmetric) double-well trap. The condensate dynamics of the macroscopic amplitudes in the two wells is modeled by two Gross-Pitaevskii equations (GPE) coupled by a tunneling matrix element. The evolution of the inter-well fractional population imbalance (related to the condensate phase difference) is obtained in terms of elliptic functions, generalizing well-known Josephson effects such as the 'ac' effect, the 'plasma oscillations', and the resonant Shapiro effect, to the nonsiusoidal regimes. We also present exact solutions for a novel 'macroscopic quantum self-trapping' effect arising from nonlinear atomic self-interaction in the GPE. The coherent BEC tunneling signatures are obtained in terms of the oscillations periods and the Fourier spectrum of the imbalance oscillations, as a function of the initial values of GPE parameters. Experimental procedures are suggested to make contact with theoretical predictions. (author). 44 refs, 8 figs

Nematicity and Magnetism in FeSe and Other Families of Fe-Based Superconductors

Directory of Open Access Journals (Sweden)

Youichi Yamakawa

2016-06-01

Full Text Available Nematicity and magnetism are two key features in Fe-based superconductors, and their interplay is one of the most important unsolved problems. In FeSe, the magnetic order is absent below the structural transition temperature T_{str}=90  K, in stark contrast to the fact that the magnetism emerges slightly below T_{str} in other families. To understand such amazing material dependence, we investigate the spin-fluctuation-mediated orbital order (n_{xz}≠n_{yz} by focusing on the orbital-spin interplay driven by the strong-coupling effect, called the vertex correction. This orbital-spin interplay is very strong in FeSe because of the small ratio between the Hund’s and Coulomb interactions (J[over ¯]/U[over ¯] and large d_{xz}, d_{yz}-orbital weight at the Fermi level. For this reason, in the FeSe model, the orbital order is established irrespective of the fact that the spin fluctuations are very weak, so the magnetism is absent below T_{str}. In contrast, in the LaFeAsO model, the magnetic order appears just below T_{str} both experimentally and theoretically. Thus, the orbital-spin interplay due to the vertex correction is the key ingredient in understanding the rich phase diagram with nematicity and magnetism in Fe-based superconductors in a unified way.

First principles calculations of the magnetic and hyperfine properties of Fe/N/Fe and Fe/O/Fe multilayers in the ground state of cohesive energy

Science.gov (United States)

dos Santos, A. V.; Samudio Pérez, C. A.; Muenchen, D.; Anibele, T. P.

2015-01-01

The ground state properties of Fe/N/Fe and Fe/O/Fe multilayers were investigated using the first principles calculations. The calculations were performed using the Linearized Augmented Plane Wave (LAPW) method implemented in the Wien2k code. A supercell consisting of one layer of nitride (or oxide) between two layers of Fe in the bcc structure was used to model the structure of the multilayer. The research in new materials also stimulated theoretical and experimental studies of iron-based nitrides due to their variety of structural and magnetic properties for the potential applications as in high strength steels and for high corrosion resistance. It is obvious from many reports that magnetic iron nitrides such as γ-Fe4N and α-Fe16N2 have interesting magnetic properties, among these a high magnetisation saturation and a high density crimp. However, although Fe-N films and multilayers have many potential applications, they can be produced in many ways and are being extensively studied from the theoretical point of view there is no detailed knowledge of their electronic structure. Clearly, efforts to understand the influence of the nitrogen atoms on the entire electronic structure are needed as to correctly interpret the observed changes in the magnetic properties when going from Fe-N bulk compounds to multilayer structures. Nevertheless, the N atoms are not solely responsible for electronics alterations in solid compounds. Theoretical results showed that Fe4X bulk compounds, where X is a variable atom with increasing atomic number (Z), the nature of bonding between X and adjacent Fe atoms changes from more covalent to more ionic and the magnetic moments of Fe also increase for Z=7, i.e. N. This is an indicative that atoms with a Z number higher than 7, i.e., O, can produce several new alterations in the entire magnetic properties of Fe multilayers. This paper presents the first results of an ab-initio electronic structure calculations, performed for Fe-N and Fe

Physical conditions in CaFe interstellar clouds

OpenAIRE

Gnacinski, P.; Krogulec, M.

2007-01-01

Interstellar clouds that exhibit strong Ca I and Fe I lines were called CaFe clouds. The ionisation equilibrium equations were used to model the column densities of Ca II, Ca I, K I, Na I, Fe I and Ti II in CaFe clouds. The chemical composition of CaFe clouds is that of the Solar System and no depletion of elements onto dust grains is seen. The CaFe clouds have high electron densities n=1 cm^-3 that leads to high column densities of neutral Ca and Fe.

Problems related to macroscopic electric fields in the magnetosphere

International Nuclear Information System (INIS)

Faelthammar, C.

1977-01-01

The macroscopic electric fields in the magnetosphere originate from internal as well as external sources. The fields are intimately coupled with the dynamics of magnetospheric plasma convection. They also depend on the complicated electrical properties of the hot collisionless plasma. Macroscopic electric fields are responsible for some important kinds of energization of charged particles that take place in the magnetosphere and affect not only particles of auroral energy but also, by multistep processes, trapped high-energy particles. A particularly interesting feature of magnetospheric electric fields is that they can have substantial components along the geomagnetic field, as has recently been confirmed by observations. Several physical mechanisms have been identified by which such electric fields can be supported even when collisions between particles are negligible. Comments are made on the magnetic mirror effect, anomalous resistivity, the collisionless thermoelectric effect, and electric double layers, emphasizing key features and differences and their significance in the light of recent observational data

Searching for the nanoscopic–macroscopic boundary

Energy Technology Data Exchange (ETDEWEB)

Velásquez, E.A. [GICM and GES Groups, Instituto de Física-FCEN, Universidad de Antioquia UdeA, Calle 70 No. 52-21 Medellín (Colombia); Grupo de Investigación en Modelamiento y Simulación Computacional, Universidad de San Buenaventura Sec. Medellín, A.A. 5222, Medellín (Colombia); Altbir, D. [Departamento de Física, Universidad de Santiago de Chile (USACH), CEDENNA, Santiago (Chile); Mazo-Zuluaga, J. [GICM and GES Groups, Instituto de Física-FCEN, Universidad de Antioquia UdeA, Calle 70 No. 52-21 Medellín (Colombia); Duque, L.F. [GICM and GES Groups, Instituto de Física-FCEN, Universidad de Antioquia UdeA, Calle 70 No. 52-21 Medellín (Colombia); Grupo de Física Teórica, Aplicada y Didáctica, Facultad de Ciencias Exactas y Aplicadas Instituto Tecnológico Metropolitano, Medellín (Colombia); Mejía-López, J., E-mail: jmejia@puc.cl [Facultad de Física, Pontificia Universidad Católica de Chile, CEDENNA, Santiago (Chile)

2013-12-15

Several studies have focused on the size-dependent properties of elements, looking for a unique definition of the nanoscopic–macroscopic boundary. By using a novel approach consisting of an energy variational method combined with a quantum Heisenberg model, here we address the size at which the ordering temperature of a magnetic nanoparticle reaches its bulk value. We consider samples with sizes in the range 1–500 nm, as well as several geometries and crystalline lattices and observe that, contrarily to what is commonly argued, the nanoscopic-microscopic boundary depends on both factors: shape and crystalline structure. This suggests that the surface-to-volume ratio is not the unique parameter that defines the behavior of a nanometric sample whenever its size increases reaching the bulk dimension. Comparisons reveal very good agreement with experimental evidence with differences less than 2%. Our results have broad implications for practical issues in measurements on systems at the nanometric scale. - Highlights: • A novel quantum-Heisenberg variational energy method is implemented. • The asymptotic behavior toward the thermodynamic limit is explored. • An important dependence of the nano-bulk boundary on the geometry is found. • And also an important dependence on the crystalline lattice. • We obtain a very good agreement with experimental evidence with differences <2%.

Spin response in LiFeAs and NaFeAs iron-pnictides superconductors

Energy Technology Data Exchange (ETDEWEB)

Lochner, Felix; Ahn, Felix; Eremin, Ilya [Ruhr-Universitaet Bochum, Bochum (Germany)

2016-07-01

We analyze the spin susceptibility in LiFeAs and NaFeAs by using the ten-orbital tight-binding model that we fitted to the electronic band structure measured by recent ARPES experiments. We identify an effective five-band model for a weak k{sub z}-dependence. Besides we present the bare and RPA-susceptibility and its q{sub z} dependencies to study the magnetic instabilities and estimate the strength of intra-orbital and inter-orbital nesting.

Preparation of rock samples for measurement of the thermal neutron macroscopic absorption cross-section

International Nuclear Information System (INIS)

Czubek, J.A.; Burda, J.; Drozdowicz, K.; Igielski, A.; Kowalik, W.; Krynicka-Drozdowicz, E.; Woznicka, U.

1986-03-01

Preparation of rock samples for the measurement of the thermal neutron macroscopic absorption cross-section in small cylindrical two-region systems by a pulsed technique is presented. Requirements which should be fulfilled during the preparation of the samples due to physical assumptions of the method are given. A cylindrical vessel is filled with crushed rock and saturated with a medium strongly absorbing thermal neutrons. Water solutions of boric acid of well-known macroscopic absorption cross-section are used. Mass contributions of the components in the sample are specified. This is necessary for the calculation of the thermal neutron macroscopic absorption cross-section of the rock matrix. The conditions necessary for assuring the required accuracy of the measurement are given and the detailed procedure of preparation of the rock sample is described. (author)

Fe-oxide Nanoparticles: a natural playground for testing the ISP model

International Nuclear Information System (INIS)

Allia, P

2014-01-01

Magnetic dipolar interaction plays a major role in systems of ferrimagnetic Fe-oxide nanoparticles. Dipolar interaction plays a role over a wide range of temperatures above blocking temperature and results in the onset of the Interacting Superparamagnetic (ISP) regime. In this paper, distinctive aspects and basic issues of the ISP model are discussed by exploiting the experimental data obtained in well-characterized magnetite nanoparticles

Macroscopic behaviour of a charged Boltzmann gas

International Nuclear Information System (INIS)

Banyai, L.; Gartner, P.; Protopopescu, V.

1980-08-01

We consider a classical charged gas (with self-consistent Coulomb interaction) described by a solvable linearized Boltzman equation with thermaljzation on unifopmly distributed scatterers. It is shown that jf one scales the time t, the reciprocal space coordinate k vector and the Debye length l as lambda 2 t, k vector/lambda, lambda l respectively, in the lambda→infinity limit the charge density is equal to the solution of the corresponding diffusion-conduction (macroscopic) equation. (author)

Grasping the Second Law of Thermodynamics at University: The Consistency of Macroscopic and Microscopic Explanations

Science.gov (United States)

Leinonen, Risto; Asikainen, Mervi A.; Hirvonen, Pekka E.

2015-01-01

This study concentrates on evaluating the consistency of upper-division students' use of the second law of thermodynamics at macroscopic and microscopic levels. Data were collected by means of a paper and pencil test (N = 48) focusing on the macroscopic and microscopic features of the second law concerned with heat transfer processes. The data…

Structural Investigation of Fe-Ni-S and Fe-Ni-Si Melts by High-temperature Fluorescence XAFS Measurements

International Nuclear Information System (INIS)

Manghnani, Murli H.; Balogh, John; Hong Xinguo; Newville, Matthew; Amulele, G.

2007-01-01

Iron-nickel (Fe-Ni) alloy is regarded as the most abundant constituent of Earth's core, with an amount of 5.5 wt% Ni in the core based on geochemical and cosmochemical models. The structural role of nickel in liquid Fe-Ni alloys with light elements such as S or Si is poorly understood, largely because of the experimental difficulties of high-temperature melts. Recently, we have succeeded in acquiring Ni K-edge fluorescence x-ray absorption fine structure (XAFS) spectra of Fe-Ni-S and Fe-Ni-Si melts and alloys. Different structural environment of Ni atoms in Fe-Ni-S and Fe-Ni-Si melts is observed, supporting the effect of light elements in Fe-Ni melts

Multi-scale modeling of composites

DEFF Research Database (Denmark)

Azizi, Reza

A general method to obtain the homogenized response of metal-matrix composites is developed. It is assumed that the microscopic scale is sufficiently small compared to the macroscopic scale such that the macro response does not affect the micromechanical model. Therefore, the microscopic scale......-Mandel’s energy principle is used to find macroscopic operators based on micro-mechanical analyses using the finite element method under generalized plane strain condition. A phenomenologically macroscopic model for metal matrix composites is developed based on constitutive operators describing the elastic...... to plastic deformation. The macroscopic operators found, can be used to model metal matrix composites on the macroscopic scale using a hierarchical multi-scale approach. Finally, decohesion under tension and shear loading is studied using a cohesive law for the interface between matrix and fiber....

A Macroscopic Multifractal Analysis of Parabolic Stochastic PDEs

Science.gov (United States)

Khoshnevisan, Davar; Kim, Kunwoo; Xiao, Yimin

2018-05-01

It is generally argued that the solution to a stochastic PDE with multiplicative noise—such as \\dot{u}= 1/2 u''+uξ, where {ξ} denotes space-time white noise—routinely produces exceptionally-large peaks that are "macroscopically multifractal." See, for example, Gibbon and Doering (Arch Ration Mech Anal 177:115-150, 2005), Gibbon and Titi (Proc R Soc A 461:3089-3097, 2005), and Zimmermann et al. (Phys Rev Lett 85(17):3612-3615, 2000). A few years ago, we proved that the spatial peaks of the solution to the mentioned stochastic PDE indeed form a random multifractal in the macroscopic sense of Barlow and Taylor (J Phys A 22(13):2621-2626, 1989; Proc Lond Math Soc (3) 64:125-152, 1992). The main result of the present paper is a proof of a rigorous formulation of the assertion that the spatio-temporal peaks of the solution form infinitely-many different multifractals on infinitely-many different scales, which we sometimes refer to as "stretch factors." A simpler, though still complex, such structure is shown to also exist for the constant-coefficient version of the said stochastic PDE.

Reversible optical control of macroscopic polarization in ferroelectrics

Science.gov (United States)

Rubio-Marcos, Fernando; Ochoa, Diego A.; Del Campo, Adolfo; García, Miguel A.; Castro, Germán R.; Fernández, José F.; García, José E.

2018-01-01

The optical control of ferroic properties is a subject of fascination for the scientific community, because it involves the establishment of new paradigms for technology1-9. Domains and domain walls are known to have a great impact on the properties of ferroic materials1-24. Progress is currently being made in understanding the behaviour of the ferroelectric domain wall, especially regarding its dynamic control10-12,17,19. New research is being conducted to find effective methodologies capable of modulating ferroelectric domain motion for future electronics. However, the practical use of ferroelectric domain wall motion should be both stable and reversible (rewritable) and, in particular, be able to produce a macroscopic response that can be monitored easily12,17. Here, we show that it is possible to achieve a reversible optical change of ferroelectric domains configuration. This effect leads to the tuning of macroscopic polarization and its related properties by means of polarized light, a non-contact external control. Although this is only the first step, it nevertheless constitutes the most crucial one in the long and complex process of developing the next generation of photo-stimulated ferroelectric devices.

A Macroscopic Multifractal Analysis of Parabolic Stochastic PDEs

Science.gov (United States)

Khoshnevisan, Davar; Kim, Kunwoo; Xiao, Yimin

2018-04-01

It is generally argued that the solution to a stochastic PDE with multiplicative noise—such as \\dot{u}= 1/2 u''+uξ, where {ξ} denotes space-time white noise—routinely produces exceptionally-large peaks that are "macroscopically multifractal." See, for example, Gibbon and Doering (Arch Ration Mech Anal 177:115-150, 2005), Gibbon and Titi (Proc R Soc A 461:3089-3097, 2005), and Zimmermann et al. (Phys Rev Lett 85(17):3612-3615, 2000). A few years ago, we proved that the spatial peaks of the solution to the mentioned stochastic PDE indeed form a random multifractal in the macroscopic sense of Barlow and Taylor (J Phys A 22(13):2621-2626, 1989; Proc Lond Math Soc (3) 64:125-152, 1992). The main result of the present paper is a proof of a rigorous formulation of the assertion that the spatio-temporal peaks of the solution form infinitely-many different multifractals on infinitely-many different scales, which we sometimes refer to as "stretch factors." A simpler, though still complex, such structure is shown to also exist for the constant-coefficient version of the said stochastic PDE.

Behaviour of Fe4O5-Mg2Fe2O5 solid solutions and their relation to coexisting Mg-Fe silicates and oxide phases

Science.gov (United States)

Uenver-Thiele, Laura; Woodland, Alan B.; Miyajima, Nobuyoshi; Ballaran, Tiziana Boffa; Frost, Daniel J.

2018-03-01

Experiments at high pressures and temperatures were carried out (1) to investigate the crystal-chemical behaviour of Fe4O5-Mg2Fe2O5 solid solutions and (2) to explore the phase relations involving (Mg,Fe)2Fe2O5 (denoted as O5-phase) and Mg-Fe silicates. Multi-anvil experiments were performed at 11-20 GPa and 1100-1600 °C using different starting compositions including two that were Si-bearing. In Si-free experiments the O5-phase coexists with Fe2O3, hp-(Mg,Fe)Fe2O4, (Mg,Fe)3Fe4O9 or an unquenchable phase of different stoichiometry. Si-bearing experiments yielded phase assemblages consisting of the O5-phase together with olivine, wadsleyite or ringwoodite, majoritic garnet or Fe3+-bearing phase B. However, (Mg,Fe)2Fe2O5 does not incorporate Si. Electron microprobe analyses revealed that phase B incorporates significant amounts of Fe2+ and Fe3+ (at least 1.0 cations Fe per formula unit). Fe-L2,3-edge energy-loss near-edge structure spectra confirm the presence of ferric iron [Fe3+/Fetot = 0.41(4)] and indicate substitution according to the following charge-balanced exchange: [4]Si4+ + [6]Mg2+ = 2Fe3+. The ability to accommodate Fe2+ and Fe3+ makes this potential "water-storing" mineral interesting since such substitutions should enlarge its stability field. The thermodynamic properties of Mg2Fe2O5 have been refined, yielding H°1bar,298 = - 1981.5 kJ mol- 1. Solid solution is complete across the Fe4O5-Mg2Fe2O5 binary. Molar volume decreases essentially linearly with increasing Mg content, consistent with ideal mixing behaviour. The partitioning of Mg and Fe2+ with silicates indicates that (Mg,Fe)2Fe2O5 has a strong preference for Fe2+. Modelling of partitioning with olivine is consistent with the O5-phase exhibiting ideal mixing behaviour. Mg-Fe2+ partitioning between (Mg,Fe)2Fe2O5 and ringwoodite or wadsleyite is influenced by the presence of Fe3+ and OH incorporation in the silicate phases.

Multi-scale modelling of radiation damage in Fe-Cr based on ab initio electronic structure calculations

International Nuclear Information System (INIS)

Olsson, Paer

2004-04-01

The efficiency of fast neutron reactors, such as for fusion, breeding and transmutation, depend strongly on the neutron radiation resistance of the materials used in the reactors. The binary Fe-Cr alloy, which has many attractive properties in this regard, is the base for the best steels of today which are, however, still not up to the required standards. Therefore, substantial effort has been devoted to finding new materials that can cope with the demands better. Experimental studies must be complemented with extensive theoretical modelling in order to understand the effects that different alloying elements has on the resistance properties of materials. To this end, the first steps of multi-scale modelling has been taken, starting out with ab initio calculations of the electronic structure of the complete concentration range range of the disordered binary Fe-C alloy. The mixing enthalpy of Fe-Cr has been quantitatively predicted and has, together with data from literature, been used in order to fit two sets of interatomic potentials for the purpose of simulating defect evolution with molecular dynamics and kinetic Monte-Carlo codes. These dedicated Fe-Cr alloy potentials are new and represent important additions to the pure element potentials that can be found in literature

Multi-scale modelling of radiation damage in Fe-Cr based on ab initio electronic structure calculations

Energy Technology Data Exchange (ETDEWEB)

Olsson, Paer

2004-04-01

The efficiency of fast neutron reactors, such as for fusion, breeding and transmutation, depend strongly on the neutron radiation resistance of the materials used in the reactors. The binary Fe-Cr alloy, which has many attractive properties in this regard, is the base for the best steels of today which are, however, still not up to the required standards. Therefore, substantial effort has been devoted to finding new materials that can cope with the demands better. Experimental studies must be complemented with extensive theoretical modelling in order to understand the effects that different alloying elements has on the resistance properties of materials. To this end, the first steps of multi-scale modelling has been taken, starting out with ab initio calculations of the electronic structure of the complete concentration range range of the disordered binary Fe-C alloy. The mixing enthalpy of Fe-Cr has been quantitatively predicted and has, together with data from literature, been used in order to fit two sets of interatomic potentials for the purpose of simulating defect evolution with molecular dynamics and kinetic Monte-Carlo codes. These dedicated Fe-Cr alloy potentials are new and represent important additions to the pure element potentials that can be found in literature.

A subsurface Fe-silicate weathering microbiome

Science.gov (United States)

Napieralski, S. A.; Buss, H. L.; Roden, E. E.

2017-12-01

Traditional models of microbially mediated weathering of primary Fe-bearing minerals often invoke organic ligands (e.g. siderophores) used for nutrient acquisition. However, it is well known that the oxidation of Fe(II) governs the overall rate of Fe-silicate mineral dissolution. Recent work has demonstrated the ability of lithtrophic iron oxidizing bacteria (FeOB) to grow via the oxidation of structural Fe(II) in biotite as a source of metabolic energy with evidence suggesting a direct enzymatic attack on the mineral surface. This process necessitates the involvement of dedicated outer membrane proteins that interact with insoluble mineral phases in a process known as extracellular electron transfer (EET). To investigate the potential role FeOB in a terrestrial subsurface weathering system, samples were obtained from the bedrock-saprolite interface (785 cm depth) within the Rio Icacos Watershed of the Luquillo Mountains in Puerto Rico. Prior geochemical evidence suggests the flux of Fe(II) from the weathering bedrock supports a robust lithotrophic microbial community at depth. Current work confirms the activity of microorganism in situ, with a marked increase in ATP near the bedrock-saprolite interface. Regolith recovered from the interface was used as inoculum to establish enrichment cultures with powderized Fe(II)-bearing minerals serving as the sole energy source. Monitoring of the Fe(II)/Fe(total) ratio and ATP generation suggests growth of microorganisms coupled to the oxidation of mineral bound Fe(II). Analysis of 16S rRNA gene and shotgun metagenomic libraries from in situ and enrichment culture samples lends further support to FeOB involvement in the weathering process. Multiple metagenomic bins related to known FeOB, including Betaproteobacteria genera, contain homologs to model EET systems, including Cyc2 and MtoAB. Our approach combining geochemistry and metagenomics with ongoing microbiological and genomic characterization of novel isolates obtained

Surface complexation modeling of zinc sorption onto ferrihydrite.

Science.gov (United States)

Dyer, James A; Trivedi, Paras; Scrivner, Noel C; Sparks, Donald L

2004-02-01

A previous study involving lead(II) [Pb(II)] sorption onto ferrihydrite over a wide range of conditions highlighted the advantages of combining molecular- and macroscopic-scale investigations with surface complexation modeling to predict Pb(II) speciation and partitioning in aqueous systems. In this work, an extensive collection of new macroscopic and spectroscopic data was used to assess the ability of the modified triple-layer model (TLM) to predict single-solute zinc(II) [Zn(II)] sorption onto 2-line ferrihydrite in NaNO(3) solutions as a function of pH, ionic strength, and concentration. Regression of constant-pH isotherm data, together with potentiometric titration and pH edge data, was a much more rigorous test of the modified TLM than fitting pH edge data alone. When coupled with valuable input from spectroscopic analyses, good fits of the isotherm data were obtained with a one-species, one-Zn-sorption-site model using the bidentate-mononuclear surface complex, (triple bond FeO)(2)Zn; however, surprisingly, both the density of Zn(II) sorption sites and the value of the best-fit equilibrium "constant" for the bidentate-mononuclear complex had to be adjusted with pH to adequately fit the isotherm data. Although spectroscopy provided some evidence for multinuclear surface complex formation at surface loadings approaching site saturation at pH >/=6.5, the assumption of a bidentate-mononuclear surface complex provided acceptable fits of the sorption data over the entire range of conditions studied. Regressing edge data in the absence of isotherm and spectroscopic data resulted in a fair number of surface-species/site-type combinations that provided acceptable fits of the edge data, but unacceptable fits of the isotherm data. A linear relationship between logK((triple bond FeO)2Zn) and pH was found, given by logK((triple bond FeO)2Znat1g/l)=2.058 (pH)-6.131. In addition, a surface activity coefficient term was introduced to the model to reduce the ionic strength

The Partial Molar Volume and Compressibility of the FeO Component in Model Basalts (Mixed CaAl2Si2O8-CaMgSi2O6-CaFeSi2O6 Liquids) at 0 GPa: evidence of Fe2+ in 6-fold coordination

Science.gov (United States)

Guo, X.; Lange, R. A.; Ai, Y.

2010-12-01

FeO is an important component in magmatic liquids and yet its partial molar volume at one bar is not as well known as that for Fe2O3 because of the difficulty of performing double-bob density measurements under reducing conditions. Moreover, there is growing evidence from spectroscopic studies that Fe2+ occurs in 4, 5, and 6-fold coordination in silicate melts, and it is expected that the partial molar volume and compressibility of the FeO component will vary accordingly. We have conducted both density and relaxed sound speed measurements on four liquids in the An-Di-Hd (CaAl2Si2O8-CaMgSi2O6-CaFeSi2O6) system: (1) Di-Hd (50:50), (2) An-Hd (50:50), (3) An-Di-Hd (33:33:33) and (4) Hd (100). Densities were measured between 1573 and 1838 K at one bar with the double-bob Archimedean method using molybdenum bobs and crucibles in a reducing gas (1%CO-99%Ar) environment. The sound speeds were measured under similar conditions with a frequency-sweep acoustic interferometer, and used to calculate isothermal compressibility. All the density data for the three multi-component (model basalt) liquids were combined with density data on SiO2-Al2O3-CaO-MgO-K2O-Na2O liquids (Lange, 1997) in a fit to a linear volume equation; the results lead to a partial molar volume (±1σ) for FeO =11.7 ± 0.3(±1σ) cm3/mol at 1723 K. This value is similar to that for crystalline FeO at 298 K (halite structure; 12.06 cm3/mol), which suggests an average Fe2+ coordination of ~6 in these model basalt compositions. In contrast, the fitted partial molar volume of FeO in pure hedenbergite liquid is 14.6 ± 0.3 at 1723 K, which is consistent with an average Fe2+ coordination of 4.3 derived from EXAFS spectroscopy (Rossano, 2000). Similarly, all the compressibility data for the three multi-component liquids were combined with compressibility data on SiO2-Al2O3-CaO-MgO liquids (Ai and Lange, 2008) in a fit to an ideal mixing model for melt compressibility; the results lead to a partial molar

The use of multi representative learning materials: definitive, macroscopic, microscopic, symbolic, and practice in analyzing students’ concept understanding

Science.gov (United States)

Susilaningsih, E.; Wulandari, C.; Supartono; Kasmui; Alighiri, D.

2018-03-01

This research aims to compose learning material which contains definitive macroscopic, microscopic and symbolic to analyze students’ conceptual understanding in acid-base learning materials. This research was conducted in eleven grade, natural science class, senior high school 1 (SMAN 1) Karangtengah, Demak province, Indonesia as the low level of students’ conceptual understanding and the high level of students’ misconception. The data collecting technique is by test to assess the cognitive aspect, questionnaire to assess students’ responses to multi representative learning materials (definitive, macroscopic, microscopic, symbolic), and observation to assess students’ macroscopic aspects. Three validators validate the multi-representative learning materials (definitive, macroscopic, microscopic, symbolic). The results of the research show that the multi-representative learning materials (definitive, macroscopic, microscopes, symbolic) being used is valid in the average score 62 of 75. The data is analyzed using the descriptive qualitative method. The results of the research show that 72.934 % students understand, 7.977 % less understand, 8.831 % do not understand, and 10.256 % misconception. In comparison, the second experiment class shows 54.970 % students understand, 5.263% less understand, 11.988 % do not understand, 27.777 % misconception. In conclusion, the application of multi representative learning materials (definitive, macroscopic, microscopic, symbolic) can be used to analyze the students’ understanding of acid-base materials.

Macroscopic modelization of the cloud elasticity*

Directory of Open Access Journals (Sweden)

Etancelin J.-M.

2013-12-01

Full Text Available In order to achieve its promise of providing information technologies (IT on demand, cloud computing needs to rely on a mathematical model capable of directing IT on and off according to a demand pattern to provide a true elasticity. This article provides a first method to reach this goal using a “fluid type” partial differential equations model. On the one hand it examines the question of service time optimization for the simultaneous satisfaction of the cloud consumer and provider. On the other hand it tries to model a way to deliver resources according to the real time capacity of the cloud that depends on parameters such as burst requests and application timeouts. All these questions are illustrated via an implicit finite volume scheme.

Plastic anomaly of the B2 ordered Fe-40Al alloy; Anomalie plastique de l'alliage Fe-40Al ordonne B2

Energy Technology Data Exchange (ETDEWEB)

Calonne, O

2002-05-01

The plastic behaviour of Fe-40Al (B2-ordered) alloys was studied. This material has the particularly of exhibiting a yield stress that increases in a given temperature range ('yield stress anomaly'). This anomaly is usually associated with a zero strain rate sensitivity in the very same temperature range. These two peculiarities can be explained as a whole by a thermally activated exhaustion of the mobile dislocations. In this work, the macroscopic mechanical behaviour of the FeAl alloys was first characterised. Then, slip geometry was studied in a large temperature range using oriented single crystals. Finally, the elementary deformation processes were studied through an analysis of dislocation structures in deformed materials using TEM post-mortem and in-situ techniques. Our results show that the yield stress anomaly stems from superdislocations exhaustion through the formation of antiphase boundary tubes, due to vacancy absorption. The number of antiphase boundary tubes produced during dislocation motion depends on vacancy concentration, that in turn increases with temperature. This is believed to be the main reason for thermally activated exhaustion. In addition, the anomaly peak and the related stress fall-off at higher temperatures can be ascribed to superdislocation decomposition, which provides the material with ordinary dislocations that cannot generate antiphase boundary tubes. Superdislocations exhaustion seems to be the catalyzing factor for decomposition. We have proposed a basis for an exhaustion/multiplication model. Considering a classical Frank-Read type multiplication mechanism, we express the yield stress as a function of temperature and we show that this results in an anomaly. Moreover, supposing that boron modifies vacancy migration energy, we suggest that the influence of boron on the stress anomaly stems from an increase of vacancy capture radius by mobile superdislocations. (authors)

Macroscopic transport equations in many-body systems from microscopic exclusion processes in disordered media: a review

Directory of Open Access Journals (Sweden)

Marta Galanti

2016-08-01

Full Text Available Describing particle transport at the macroscopic or mesoscopic level in non-ideal environments poses fundamental theoretical challenges in domains ranging from inter and intra-cellular transport in biology to diffusion in porous media. Yet, often the nature of the constraints coming from many-body interactions or reflecting a complex and confining environment are better understood and modeled at the microscopic level.In this paper we review the subtle link between microscopic exclusion processes and the mean-field equations that ensue from them in the continuum limit. We show that in an inhomogeneous medium, i.e. when jumps are controlled by site-dependent hopping rates, one can obtain three different nonlinear advection-diffusion equations in the continuum limit, suitable for describing transport in the presence of quenched disorder and external fields, depending on the particular rule embodying site inequivalence at the microscopic level. In a situation that might be termed point-like scenario, when particles are treated as point-like objects, the effect of crowding as imposed at the microscopic level manifests in the mean-field equations only if some degree of inhomogeneity is enforced into the model. Conversely, when interacting agents are assigned a finite size, under the more realistic extended crowding framework, exclusion constraints persist in the unbiased macroscopic representation.

Testing quantum behaviour at the macroscopic level

International Nuclear Information System (INIS)

Ghirardi, G.C.

1994-07-01

We reconsider recent proposals to test macro realism versus quantum mechanics in experiments involving noninvasive measurement processes on a Squid. In spite of the fact that we are able to prove that the proposed experiments do not represent a test of macro realism but simply of macroscopic quantum coherence we call attention to their extreme conceptual relevance. We also discuss some recent criticisms which have been raised against the considered proposal and we show that they are not relevant. (author). 12 refs

Pseudo-Goldstone bosons and new macroscopic forces

International Nuclear Information System (INIS)

Hill, C.T.; Ross, G.G.

1988-01-01

Pseudoscalar Goldstone bosons may readily be associated with weakly, explicitly broken symmetries giving them mixed CP quantum numbers. In general this leads to scalar couplings to nucleons and leptons, which produces coherent long range forces. This can naturally accommodate detectable long range macroscopic forces mediated by bosons completely consistent with conventional cosmological limits, e.g., new interactions with the range of present 'fifth force' searches which probe a scale of new physics of f ≅ 10 14 GeV. (orig.)

Moessbauer spectrometry analysis of Fe78Si9B13 metallic glass prepared with different quenching wheel speed

International Nuclear Information System (INIS)

Narges Amini; Bu-Ali Sina University, Hamedan; Safdar Habibi; Dekan, Julius; Pavuk, Milan; Novak, Patrik; Miglierini, Marcel; Czech Technical University in Prague, Prague

2017-01-01

Impact of the wheel speed upon microstructure and hyperfine interactions of amorphous Fe 78 Si 9 B 13 ribbons was studied. Moessbauer spectrometry, differential scanning calorimetry, X-ray diffraction, scanning electron microscopy, atomic force microscopy, and magnetic measurements were applied. Though minor effects of wheel speed upon macroscopic magnetic properties was found, notable changes in repositioning of magnetic moments of the resonant atoms caused by modifications in the topological short-range order (SRO) were unveiled. No deviations were observed in the chemical SRO. The observed effects were enhanced after annealing at moderate temperatures. (author)

Linearized Flux Evolution (LiFE): A technique for rapidly adapting fluxes from full-physics radiative transfer models

Science.gov (United States)

Robinson, Tyler D.; Crisp, David

2018-05-01

Solar and thermal radiation are critical aspects of planetary climate, with gradients in radiative energy fluxes driving heating and cooling. Climate models require that radiative transfer tools be versatile, computationally efficient, and accurate. Here, we describe a technique that uses an accurate full-physics radiative transfer model to generate a set of atmospheric radiative quantities which can be used to linearly adapt radiative flux profiles to changes in the atmospheric and surface state-the Linearized Flux Evolution (LiFE) approach. These radiative quantities describe how each model layer in a plane-parallel atmosphere reflects and transmits light, as well as how the layer generates diffuse radiation by thermal emission and by scattering light from the direct solar beam. By computing derivatives of these layer radiative properties with respect to dynamic elements of the atmospheric state, we can then efficiently adapt the flux profiles computed by the full-physics model to new atmospheric states. We validate the LiFE approach, and then apply this approach to Mars, Earth, and Venus, demonstrating the information contained in the layer radiative properties and their derivatives, as well as how the LiFE approach can be used to determine the thermal structure of radiative and radiative-convective equilibrium states in one-dimensional atmospheric models.

Feedback Gating Control for Network Based on Macroscopic Fundamental Diagram

Directory of Open Access Journals (Sweden)

YangBeibei Ji

2016-01-01

Full Text Available Empirical data from Yokohama, Japan, showed that a macroscopic fundamental diagram (MFD of urban traffic provides for different network regions a unimodal low-scatter relationship between network vehicle density and network space-mean flow. This provides new tools for network congestion control. Based on MFD, this paper proposed a feedback gating control policy which can be used to mitigate network congestion by adjusting signal timings of gating intersections. The objective of the feedback gating control model is to maximize the outflow and distribute the allowed inflows properly according to external demand and capacity of each gating intersection. An example network is used to test the performance of proposed feedback gating control model. Two types of background signalization types for the intersections within the test network, fixed-time and actuated control, are considered. The results of extensive simulation validate that the proposed feedback gating control model can get a Pareto improvement since the performance of both gating intersections and the whole network can be improved significantly especially under heavy demand situations. The inflows and outflows can be improved to a higher level, and the delay and queue length at all gating intersections are decreased dramatically.

State of art in FE-based fuel performance codes

International Nuclear Information System (INIS)

Kim, Hyo Chan; Yang, Yong Sik; Kim, Dae Ho; Bang, Je Geon; Kim, Sun Ki; Koo, Yang Hyun

2013-01-01

Fuel performance codes approximate this complex behavior using an axisymmetric, axially-stacked, one-dimensional radial representation to save computation cost. However, the need for improved modeling of PCMI and, particularly, the importance of multidimensional capability for accurate fuel performance simulation has been identified as safety margin decreases. Finite element (FE) method that is reliable and proven solution in mechanical field has been introduced into fuel performance codes for multidimensional analysis. The present state of the art in numerical simulation of FE-based fuel performance predominantly involves 2-D axisymmetric model and 3-D volumetric model. The FRAPCON and FRAPTRAN own 1.5-D and 2-D FE model to simulate PCMI and cladding ballooning. In 2-D simulation, the FALCON code, developed by EPRI, is a 2-D (R-Z and R-θ) fully thermal-mechanically coupled steady-state and transient FE-based fuel behavior code. The French codes TOUTATIS and ALCYONE which are 3-D, and typically used to investigate localized behavior. In 2008, the Idaho National Laboratory (INL) has been developing multidimensional (2-D and 3-D) nuclear fuel performance code called BISON. In this paper, the current state of FE-based fuel performance code and their models are presented. Based on investigation into the codes, requirements and direction of development for new FE-based fuel performance code can be discussed. Based on comparison of models in FE-based fuel performance code, status of art in the codes can be discussed. A new FE-based fuel performance code should include typical pellet and cladding models which all codes own. In particular, specified pellet and cladding model such as gaseous swelling and high burnup structure (HBS) model should be developed to improve accuracy of code as well as consider AC condition. To reduce computation cost, the approximated gap and the optimized contact model should be also developed

Analysis of lithium deinsertion/insertion in Li{sub y}FePO{sub 4} with a simple mathematical model

Energy Technology Data Exchange (ETDEWEB)

Delacourt, C., E-mail: charles.delacourt@u-picardie.fr [Laboratoire de Reactivite et de Chimie des Solides, CNRS UMR 6007, Universite de Picardie Jules Verne (France); Safari, M. [Laboratoire de Reactivite et de Chimie des Solides, CNRS UMR 6007, Universite de Picardie Jules Verne (France)

2011-05-30

Highlights: > An analysis of the onsets of charge/discharge curves of Li{sub y}FePO{sub 4} is performed by means of a mathematical model. > It reveals a dependence of the apparent 'particle radius' on the current density. > The mosaic model, introduced some years ago for lithium insertion/deinsertion in Li{sub y}FePO{sub 4}, is invoked to account for this unusual dependence. - Abstract: The onset of experimental galvanostatic charge/discharge data of Li{sub y}FePO{sub 4} at low current density and at room temperature is analyzed using a single-particle mathematical model. The model contains only two adjustable parameters, namely one related to solid-state diffusion in the active particle and another one related to the surface resistance of the particle. The analysis reveals that these two parameters depend on the current density in a similar manner, meaning that there exists a correlation between them. An immediate consequence is that the onset of the experimental charge/discharge curves is properly modeled with the particle radius as a unique parameter depending on the current density. Hypotheses are made to shed light on this unusual dependence.

Accumulation of Fe oxyhydroxides in the Peruvian oxygen deficient zone implies non-oxygen dependent Fe oxidation

Science.gov (United States)

Heller, Maija I.; Lam, Phoebe J.; Moffett, James W.; Till, Claire P.; Lee, Jong-Mi; Toner, Brandy M.; Marcus, Matthew A.

2017-08-01

Oxygen minimum zones (OMZs) have been proposed to be an important source of dissolved iron (Fe) into the interior ocean. However, previous studies in OMZs have shown a sharp decrease in total dissolved Fe (dFe) and/or dissolved Fe(II) (dFe(II)) concentrations at the shelf-break, despite constant temperature, salinity and continued lack of oxygen across the shelf-break. The loss of both total dFe and dFe(II) suggests a conversion of the dFe to particulate form, but studies that have coupled the reduction-oxidation (redox) speciation of both dissolved and particulate phases have not previously been done. Here we have measured the redox speciation and concentrations of both dissolved and particulate forms of Fe in samples collected during the U.S. GEOTRACES Eastern tropical Pacific Zonal Transect (EPZT) cruise in 2013 (GP16). This complete data set allows us to assess possible mechanisms for loss of dFe. We observed an offshore loss of dFe(II) within the oxygen deficient zone (ODZ), where dissolved oxygen is undetectable, accompanied by an increase in total particulate Fe (pFe). Total pFe concentrations were highest in the upper ODZ. X-ray absorption spectroscopy revealed that the pFe maximum was primarily in the Fe(III) form as Fe(III) oxyhydroxides. The remarkable similarity in the distributions of total particulate iron and nitrite suggests a role for nitrite in the oxidation of dFe(II) to pFe(III). We present a conceptual model for the rapid redox cycling of Fe that occurs in ODZs, despite the absence of oxygen.

Controls of Ca/Mg/Fe activity ratios in pore water chemistry models of the Callovian-Oxfordian clay formation

International Nuclear Information System (INIS)

Lerouge, C.; Grangeon, S.; Wille, G.; Flehoc, C.; Gailhanou, H.; Gaucher, E.C.; Tournassat, C.; Vinsot, A.; Made, B.; Altmann, S.

2013-01-01

In the pore water chemistry model of the Callovian-Oxfordian clay formation, the divalent cations Ca, Mg, and Fe are controlled by equilibrium reactions with pure carbonates: calcite for Ca, dolomite for Mg, and siderite for Fe. Results of a petrological study and computing of the Ca/Mg and Ca/Fe activity ratios based on natural pore water chemistry provide evidence that equilibrium with pure calcite and pure dolomite is a reasonable assumption for undisturbed pore waters; on the other hand, siderite cannot be considered at equilibrium with pore waters at the formation scale. (authors)

Controls of Ca/Mg/Fe activity ratios in pore water chemistry models of the Callovian-Oxfordian clay formation

Energy Technology Data Exchange (ETDEWEB)

Lerouge, C.; Grangeon, S.; Wille, G.; Flehoc, C.; Gailhanou, H.; Gaucher, E.C.; Tournassat, C. [BRGM av. Claude Guillemin BP6009 45060 Orleans cedex 2 (France); Vinsot, A. [ANDRA Meuse/Haute-Marne Underground research Laboratory (URL), RD 960, 55290 Bure (France); Made, B.; Altmann, S. [ANDRA - Parc de la Croix Blanche, 1-7 rue Jean Monnet, 92298 Chatenay-Malabry Cedex (France)

2013-07-01

In the pore water chemistry model of the Callovian-Oxfordian clay formation, the divalent cations Ca, Mg, and Fe are controlled by equilibrium reactions with pure carbonates: calcite for Ca, dolomite for Mg, and siderite for Fe. Results of a petrological study and computing of the Ca/Mg and Ca/Fe activity ratios based on natural pore water chemistry provide evidence that equilibrium with pure calcite and pure dolomite is a reasonable assumption for undisturbed pore waters; on the other hand, siderite cannot be considered at equilibrium with pore waters at the formation scale. (authors)

Inhomogeneities and superconductivity in poly-phase Fe-Se-Te systems

Science.gov (United States)

Hartwig, S.; Schäfer, N.; Schulze, M.; Landsgesell, S.; Abou-Ras, D.; Blum, Ch. G. F.; Wurmehl, S.; Sokolowski, A.; Büchner, B.; Prokeš, K.

2018-02-01

The impact of synthesis conditions, post-preparation heating procedure, aging and influence of pressure on the superconducting properties of FeSe0.4Te0.6 crystals is reported. Two FeSe0.4Te0.6 single crystals were used in the study, prepared from stoichiometric melt but cooled down with very different cooling rates, and investigated using magnetic bulk and electrical-resistivity methods. The fast-cooled crystal contains large inclusions of Fe3Se2.1Te1.8 and exhibits bulk superconductivity in its as-prepared state, while the other is homogeneous and shows only traces of superconductivity. AC susceptibility measurements under hydrostatic pressure show that the superconducting transition temperature of the inhomogeneous crystal increases from 12.3 K at ambient pressure to Tsc = 17.9 K at 9 kbar. On the other hand, neither pressure nor mechanically-induced stress is sufficient to induce superconductivity in the homogeneous crystal. However, an additional heat treatment at 673 K followed by fast cooling down and/or long-term aging at ambient conditions leads to the appearance of bulk superconductivity also in the latter sample. This sample remains homogeneous on a scale down to few μm but shows an additional magnetic phase transition around 130 K suggesting that it must be inhomogeneous. For comparison also Fe3Se2.1Te1.8 polycrystals have been prepared and their magnetic properties have been studied. It appears that this phase is not superconducting by itself. It is concluded that nano-scale inhomogeneities that appear in the FeSexTe1-x system due to a spinodal decomposition in the solid state are necessary for bulk superconductivity, possibly due to minor changes in the crystal structure and microstructure. Macroscopic inclusions quenched by fast cooling from high temperatures lead obviously to strain and hence variations in the lattice constants, an effect that is further supported by application of pressure/stress.

Photoinduced macroscopic chiral structures in a series of azobenzene copolyesters

DEFF Research Database (Denmark)

Nedelchev, L.; Nikolova, L.; Matharu, A.

2002-01-01

A study of the propagation of elliptically polarized light and the resulting formation of macroscopic chiral structures in a series of azobenzene side-chain copolyesters, in which the morphology is varied from liquid crystalline to amorphous, is reported. Real-time measurements are presented...

Modification of the Charlesby law. Pt. 2. Macroscopic sensitivity

International Nuclear Information System (INIS)

Schiltz, A.; Weil, A.; Paniez, P.

1984-01-01

In part II, results are presented showing that for doses below macroscopic sensitivity, Qsub(sm), degradation due to fluence of the particles seems to be non-uniform over the entire area. In the light of this, a modification of the Charlesby's law is proposed providing a solution to the problems considered in part I [fr

The macroscopic harmonic oscillator and quantum measurements

International Nuclear Information System (INIS)

Hayward, R.W.

1982-01-01

A quantum mechanical description of a one-dimensional macroscopic harmonic oscillator interacting with its environment is given. Quasi-coherent states are introduced to serve as convenient basis states for application of a density matrix formalism to characterize the system. Attention is given to the pertinent quantum limits to the precision of measurement of physical observables that may provide some information on the nature of a weak classical force interacting with the oscillator. A number of ''quantum nondemolition'' schemes proposed by various authors are discussed. (Auth.)

Sialic acid-triggered macroscopic properties switching on a smart polymer surface

Science.gov (United States)

Xiong, Yuting; Li, Minmin; Wang, Hongxi; Qing, Guangyan; Sun, Taolei

2018-01-01

Constructing smart surfaces with responsive polymers capable of dynamically and reversibly changing their chemical and physical properties by responding to the recognition of biomolecules remains a challenging task. And, the key to achieving this purpose relies on the design of polymers to precisely interact with the target molecule and successfully transform the interaction signal into tunable macroscopic properties, further achieve special bio-functions. Herein, inspired by carbohydrate-carbohydrate interaction (CCI) in life system, we developed a three-component copolymer poly(NIPAAm-co-PT-co-Glc) bearing a binding unit glucose (Glc) capable of recognizing sialic acid, a type of important molecular targets for cancer diagnosis and therapy, and reported the sialic acid triggered macroscopic properties switching on this smart polymer surface. Detailed mechanism studies indicated that multiple hydrogen bonding interactions between Glc unit and Neu5Ac destroyed the initial hydrogen bond network of the copolymer, leading to a reversible "contraction-to-swelling" conformational transition of the copolymer chains, accompanied with distinct macroscopic property switching (i.e., surface wettability, morphology, stiffness) of the copolymer film. And these features enabled this copolymer to selectively capture sialic acid-containing glycopeptides from complex protein samples. This work provides an inspiration for the design of novel smart polymeric materials with sensitive responsiveness to sialic acid, which would promote the development of sialic acid-specific bio-devices and drug delivery systems.

Towards a measurement of the half-life of {sup 60}Fe for stellar and early Solar System models

Energy Technology Data Exchange (ETDEWEB)

Ostdiek, K.; Anderson, T. [University of Notre Dame, Notre Dame, IN 46556 (United States); Bauder, W. [University of Notre Dame, Notre Dame, IN 46556 (United States); Argonne National Laboratory, 9700 South Cass Avenue, Lemont, IL 60439 (United States); Bowers, M.; Collon, P. [University of Notre Dame, Notre Dame, IN 46556 (United States); Dressler, R. [Paul Scherrer Institute – Laboratory for Radiochemistry and Environmental Chemistry, 5232 Villigen (Switzerland); Greene, J. [Argonne National Laboratory, 9700 South Cass Avenue, Lemont, IL 60439 (United States); Kutschera, W. [Vienna Environmental Research Accelerator Laboratory, Waehringer Strasse 17, 1090 Vienna (Austria); Lu, W. [University of Notre Dame, Notre Dame, IN 46556 (United States); Paul, M. [Racah Institute of Physics, Hebrew University, Jerusalem 91904 (Israel); Robertson, D. [University of Notre Dame, Notre Dame, IN 46556 (United States); Schumann, D. [Paul Scherrer Institute – Laboratory for Radiochemistry and Environmental Chemistry, 5232 Villigen (Switzerland); Skulski, M. [University of Notre Dame, Notre Dame, IN 46556 (United States); Wallner, A. [The Australian National University, Canberra, ACT 0200 (Australia)

2015-10-15

Radioisotopes, produced in stars and ejected into the Interstellar Medium, are important for constraining stellar and early Solar System (ESS) models. In particular, the half-life of the radioisotope, {sup 60}Fe, can have an impact on calculations for the timing for ESS events, the distance to nearby Supernovae, and the brightness of individual, non-steady-state {sup 60}Fe gamma ray sources in the Galaxy. A half-life measurement has been undertaken at the University of Notre Dame and measurements of the {sup 60}Fe/{sup 56}Fe concentration of our samples using Accelerator Mass Spectrometry has begun. This result will be coupled with an activity measurement of the isomeric decay in {sup 60}Co, which is the decay product of {sup 60}Fe. Preliminary half-life estimates of (2.53 ± 0.24) × 10{sup 6} years seem to confirm the recent measurement by Rugel et al. (2009).

Clinical significance of macroscopic completeness of mesorectal resection in rectal cancer.

Science.gov (United States)

Leite, J S; Martins, S C; Oliveira, J; Cunha, M F; Castro-Sousa, F

2011-04-01

Local recurrence after resection of rectal cancer is usually regarded as being due to a 'failure' of surgery. The completeness of resection of the mesorectum has been proposed as an indicator of the 'quality' of the resection. We determined the prognostic value of macroscopic evaluation of rectal cancer resection specimens and the circumferential resection margin (CRM) after curative surgery. From 1999 to 2006, the macroscopic quality of the mesorectum and the CRM were prospectively assessed in 127 patients who underwent rectal cancer resection with curative intent (R0+R1). Chemoradiotherapy was administered for 61 tumours staged as locally advanced tumours (T3, T4 and N+). Univariate analysis of time to local recurrence and cancer-free survival were tested (Kaplan-Meier) and multivariate analysis calculated with a Cox regression model. The mesorectum was incomplete in 34 (26.8%) patients. At a median follow up of 34 months (range, 9-96 months), in the group with an adequate mesorectal excision, the cumulative risk of local recurrence at 5 years was 10%. This was 25% if the mesorectum was incomplete (P CRM and the mesorectal score as independent factors for local recurrence, and T and N status and the mesorectal score as independent factors for disease-free survival. The outcome of surgical treatment of rectal cancer is related to the completeness of mesorectal excision. It is a more discriminative prognostic factor than the classic tumour-node-metastasis (TNM) system. © 2011 The Authors. Colorectal Disease © 2011 The Association of Coloproctology of Great Britain and Ireland.

Thermodynamic modeling of ternary and quaternary (liquid + liquid) systems containing water, FeCl3, HCl and diisopropyl ether

International Nuclear Information System (INIS)

Milosevic, Miran; Hendriks, Ilse; Smits, Ralph E.R.; Schuur, Boelo; Haan, André B. de

2013-01-01

Highlights: • Literature data from various sources was validated experimentally. • Ternary and quaternary (liquid + liquid) systems were successfully described with the NRTL model. • Some deflection at higher HCl concentrations between model and data. • Additional data verification proved correctness of the literature data. -- Abstract: Liquid–liquid extraction using ethers as solvents is a potentially energy saving alternative for the concentration of aqueous ferric chloride solutions. Adequate thermodynamic models that describe the behavior of the resulting quaternary systems (FeCl 3 , ether, acid and water) are not available in the literature. In this paper, the development of an equilibrium description applying the NRTL-model is presented, including experimental validation and fitting of the NRTL-parameters on the validated data. Equilibrium experiments were performed for the ternary systems (water + HCl + DiPE) and (water + FeCl 3 + DiPE) and the obtained data is in good agreement with the results from Maljkovic et al.[37] and Cambell et al.[39]. Experimental data of the quaternary system is taken from Maljkovic et al.[37]. The obtained binary interaction parameters to describe the (liquid + liquid) quaternary system (water + FeCl 3 + HCl + DiPE) and the constituting ternaries by the NRTL model are presented. Model predictions are in good agreement with the experimental data

Multiscale Modeling of Polycrystalline NiTi Shape Memory Alloy under Various Plastic Deformation Conditions by Coupling Microstructure Evolution and Macroscopic Mechanical Response.

Science.gov (United States)

Hu, Li; Jiang, Shuyong; Zhou, Tao; Tu, Jian; Shi, Laixin; Chen, Qiang; Yang, Mingbo

2017-10-13

Numerical modeling of microstructure evolution in various regions during uniaxial compression and canning compression of NiTi shape memory alloy (SMA) are studied through combined macroscopic and microscopic finite element simulation in order to investigate plastic deformation of NiTi SMA at 400 °C. In this approach, the macroscale material behavior is modeled with a relatively coarse finite element mesh, and then the corresponding deformation history in some selected regions in this mesh is extracted by the sub-model technique of finite element code ABAQUS and subsequently used as boundary conditions for the microscale simulation by means of crystal plasticity finite element method (CPFEM). Simulation results show that NiTi SMA exhibits an inhomogeneous plastic deformation at the microscale. Moreover, regions that suffered canning compression sustain more homogeneous plastic deformation by comparison with the corresponding regions subjected to uniaxial compression. The mitigation of inhomogeneous plastic deformation contributes to reducing the statistically stored dislocation (SSD) density in polycrystalline aggregation and also to reducing the difference of stress level in various regions of deformed NiTi SMA sample, and therefore sustaining large plastic deformation in the canning compression process.

Multiscale Modeling of Polycrystalline NiTi Shape Memory Alloy under Various Plastic Deformation Conditions by Coupling Microstructure Evolution and Macroscopic Mechanical Response

Directory of Open Access Journals (Sweden)

Li Hu

2017-10-01

Full Text Available Numerical modeling of microstructure evolution in various regions during uniaxial compression and canning compression of NiTi shape memory alloy (SMA are studied through combined macroscopic and microscopic finite element simulation in order to investigate plastic deformation of NiTi SMA at 400 °C. In this approach, the macroscale material behavior is modeled with a relatively coarse finite element mesh, and then the corresponding deformation history in some selected regions in this mesh is extracted by the sub-model technique of finite element code ABAQUS and subsequently used as boundary conditions for the microscale simulation by means of crystal plasticity finite element method (CPFEM. Simulation results show that NiTi SMA exhibits an inhomogeneous plastic deformation at the microscale. Moreover, regions that suffered canning compression sustain more homogeneous plastic deformation by comparison with the corresponding regions subjected to uniaxial compression. The mitigation of inhomogeneous plastic deformation contributes to reducing the statistically stored dislocation (SSD density in polycrystalline aggregation and also to reducing the difference of stress level in various regions of deformed NiTi SMA sample, and therefore sustaining large plastic deformation in the canning compression process.

On the problem of contextuality in macroscopic magnetization measurements

International Nuclear Information System (INIS)

Soeda, Akihito; Kurzyński, Paweł; Ramanathan, Ravishankar; Grudka, Andrzej; Thompson, Jayne; Kaszlikowski, Dagomir

2013-01-01

We show that sharp measurements of total magnetization cannot be used to reveal contextuality in macroscopic many-body systems of spins of arbitrary dimension. We decompose each such measurement into set of projectors corresponding to well-defined value of total magnetization. We then show that such sets of projectors are too restricted to construct Kochen–Specker sets.

Synthesis of Fe-Al-Ti Based Intermetallics with the Use of Laser Engineered Net Shaping (LENS

Directory of Open Access Journals (Sweden)

Monika Kwiatkowska

2015-04-01

Full Text Available The Laser Engineered Net Shaping (LENS technique was combined with direct synthesis to fabricate L21-ordered Fe-Al-Ti based intermetallic alloys. It was found that ternary Fe-Al-Ti alloys can be synthesized using the LENS technique from a feedstock composed of a pre-alloyed Fe-Al powder and elemental Ti powder. The obtained average compositions of the ternary alloys after the laser deposition and subsequent annealing were quite close to the nominal compositions, but the distributions of the elements in the annealed samples recorded over a large area were inhomogeneous. No traces of pure Ti were observed in the deposited alloys. Macroscopic cracking and porosity were observed in all investigated alloys. The amount of porosity in the samples was less than 1.2 vol. %. It seems that the porosity originates from the porous pre-alloyed Fe-Al powders. Single-phase (L21, two-phase (L21-C14 and multiphase (L21-A2-C14 Fe-Al-Ti intermetallic alloys were obtained from the direct laser synthesis and annealing process. The most prominent feature of the ternary Fe-Al-Ti intermetallics synthesized by the LENS method is their fine-grained structure. The grain size is in the range of 3–5 μm, indicating grain refinement effect through the highly rapid cooling of the LENS process. The Fe-Al-Ti alloys synthesized by LENS and annealed at 1000 °C in the single-phase B2 region were prone to an essential grain growth. In contrast, the alloys annealed at 1000 °C in the two-phase L21-C14 region exhibited almost constant grain size values after the high-temperature annealing.

The importance of Fe interface states for ferromagnet-semiconductor based spintronic devices

Science.gov (United States)

Chantis, Athanasios

2009-03-01

I present our recent theoretical studies of the bias-controlled spin injection, detection sensitivity and tunneling anisotropic magnetoresistance in ferromagnetic-semiconductor tunnel junctions. Using first-principles electron transport methods we have shown that Fe 3d minority-spin surface (interface) states are responsible for at least two important effects for spin electronics. First, they can produce a sizable Tunneling Anisotropic Magnetoresistance in magnetic tunnel junctions with a single Fe electrode. The effect is driven by a Rashba shift of the resonant surface band when the magnetization changes direction. This can introduce a new class of spintronic devices, namely, Tunneling Magnetoresistance junctions with a single ferromagnetic electrode that can function at room temperatures. Second, in Fe/GaAs(001) magnetic tunnel junctions they produce a strong dependence of the tunneling current spin-polarization on applied electrical bias. A dramatic sign reversal within a voltage range of just a few tenths of an eV is found. This explains the observed sign reversal of spin-polarization in recent experiments of electrical spin injection in Fe/GaAs(001) and related reversal of tunneling magnetoresistcance through vertical Fe/GaAs/Fe trilayers. We also present a theoretical description of electrical spin-detection at a ferromagnet/semiconductor interface. We show that the sensitivity of the spin detector has strong bias dependence which, in the general case, is dramatically different from that of the tunneling current spin-polarization. We show that in realistic ferromagnet/semiconductor junctions this bias dependence can originate from two distinct physical mechanisms: 1) the bias dependence of tunneling current spin-polarization, which is of microscopic origin and depends on the specific properties of the interface, and 2) the macroscopic electron spin transport properties in the semiconductor. Our numerical results show that the magnitude of the voltage signal

Relationship Between Filler-Matrix Interface and Macroscopical Properties of Polymer Nanocomposites

KAUST Repository

Ventura, Isaac Aguilar

2017-01-01

The macroscopic properties of Multiwall Carbon Nanotube (MWCNT) polymer nano-composites and multiscale composites have been studied from a multifunctional standpoint. The objective is to understand and correlate the mechanisms in which the addition

On the connection between the macroscopical and microscopical evolution in an exactly soluble hopping model. II. Charged particles

International Nuclear Information System (INIS)

Banyai, L.; Gartner, P.

1979-07-01

The hopping rate equation for charged particles with self-consistent Coulomb interaction on an arbitrary periodic lattice can be solved exactly. It is shown that if one scales the time t and the distances x (including the characteristic length l as t → lambda 2 t, x → lambda x), then in the lambda → infinity limit the charge density and the potential tend to their macroscopical electrodynamic counterparts faster than lambda sup(-3) and lambda sup(-1) respectively. (author)

Macroscopic quantum tunneling in Mn12-acetat

International Nuclear Information System (INIS)

Beiter, J.; Reissner, M.; Hilscher, G.; Steiner, W.; Pajic, D.; Zadro, K.; Bartel, M.; Linert, W.

2004-01-01

Molecules provide the exciting opportunity to study magnetism on the passage from atomic to macroscopic level. One of the most interesting effects in such mesoscopic systems is the appearance of quantum tunnelling of magnetization (MQT) at low temperatures. In the last decade molecular chemistry has had a large impact in this field by providing new single molecule magnets. They consist of small clusters exhibiting superparamagnetic behavior, similar to that of conventional nanomagnetic particles. The advantage of these new materials is that they form macroscopic samples consisting of regularly arranged small identical high-spin clusters which are widely separated by organic molecules. The lack of distributions in size and shape of the magnetic clusters and the very weak intercluster interaction lead in principle to only one barrier for the spin reversal. We present detailed magnetic investigations on a Mn 12 -ac single crystal. In this compound the tetragonal ordered clusters consist of a central tetrahedron of four Mn 4+ (S = 3/2) atoms surrounded by eight Mn 3+ (S = 2) atoms with antiparallel oriented spins, leading to an overall spin moment of S = 10. In the hysteresis loops nine different jumps at regularly spaced fields are identified in the investigated temperature range (1.5 < T < 3 K). At these fields the relaxation of moment due to thermal activation is superimposed by strong quantum tunnelling. In lowering the temperature the time dependence changes from thermally activated to thermally assisted tunnelling. (author)

Alternative solution model for the ternary carbonate system CaCO3 - MgCO3 - FeCO3 - II. Calibration of a combined ordering model and mixing model

Science.gov (United States)

McSwiggen, P.L.

1993-01-01

Earlier attempts at solution models for the ternary carbonate system have been unable to adequately accommodate the cation ordering which occurs in some of the carbonate phases. The carbonate solution model of this study combines a Margules type of interaction model with a Bragg-Williams type of ordering model. The ordering model determines the equilibrium state of order for a crystal, from which the cation distribution within the lattice can be obtained. The interaction model addresses the effect that mixing different cation species within a given cation layer has on the total free energy of the system. An ordering model was derived, based on the Bragg-Williams approach; it is applicable to ternary systems involving three cations substituting on two sites, and contains three ordering energy parameters (WCaMg, WCaFe, and WCaMgFe). The solution model of this study involves six Margules-type interaction parameters (W12, W21, W13, W31, W23, and W32). Values for the two sets of energy parameters were calculated from experimental data and from compositional relationships in natural assemblages. ?? 1993 Springer-Verlag.

Simple concentration-dependent pair interaction model for large-scale simulations of Fe-Cr alloys

International Nuclear Information System (INIS)

Levesque, Maximilien; Martinez, Enrique; Fu, Chu-Chun; Nastar, Maylise; Soisson, Frederic

2011-01-01

This work is motivated by the need for large-scale simulations to extract physical information on the iron-chromium system that is a binary model alloy for ferritic steels used or proposed in many nuclear applications. From first-principles calculations and the experimental critical temperature we build a new energetic rigid lattice model based on pair interactions with concentration and temperature dependence. Density functional theory calculations in both norm-conserving and projector augmented-wave approaches have been performed. A thorough comparison of these two different ab initio techniques leads to a robust parametrization of the Fe-Cr Hamiltonian. Mean-field approximations and Monte Carlo calculations are then used to account for temperature effects. The predictions of the model are in agreement with the most recent phase diagram at all temperatures and compositions. The solubility of Cr in Fe below 700 K remains in the range of about 6 to 12%. It reproduces the transition between the ordering and demixing tendency and the spinodal decomposition limits are also in agreement with the values given in the literature.

Nano-sized magnetic instabilities in Fe/NiO/Fe(001) epitaxial thin films

Energy Technology Data Exchange (ETDEWEB)

Brambilla, A [Dipartimento di Fisica-Politecnico di Milano, P.za Leonardo da Vinci 32, 20133 Milan (Italy); Biagioni, P [Dipartimento di Fisica-Politecnico di Milano, P.za Leonardo da Vinci 32, 20133 Milan (Italy); Rougemaille, N [National Center for Electron Microscopy, Lawrence Berkeley National Lab, Berkeley, CA 94720 (United States); Schmid, A K [National Center for Electron Microscopy, Lawrence Berkeley National Lab, Berkeley, CA 94720 (United States); Lanzara, A [Department of Physics, University of California at Berkeley, Berkeley, CA 94720 (United States); Duo, L [Dipartimento di Fisica-Politecnico di Milano, P.za Leonardo da Vinci 32, 20133 Milan (Italy); Ciccacci, F [Dipartimento di Fisica-Politecnico di Milano, P.za Leonardo da Vinci 32, 20133 Milan (Italy); Finazzi, M [Dipartimento di Fisica-Politecnico di Milano, P.za Leonardo da Vinci 32, 20133 Milan (Italy)

2006-10-25

We report on a magnetic imaging study of the Fe/NiO/Fe(001) trilayer structure, by means of X-ray photoemission electron microscopy (XPEEM) and spin-polarised low-energy electron microscopy (SPLEEM). Two different magnetic couplings between the Fe layers are observed depending on the NiO thickness being greater or smaller than a critical value. Very small magnetic domains and domain walls are observed in the top Fe layer. They are dramatically smaller than those observed in the Fe substrate, and have a convoluted topology. Furthermore they seem to be unstable with respect to an applied magnetic field for any NiO thickness except that corresponding to the transition between the different coupling regimes. The phenomenology of such magnetic nano-structures and the dependence of the magnetic behaviour of the layered structure on the NiO spacer thickness are discussed on the basis of the experimental results and of state-of-the-art theoretical models.

Nano-sized magnetic instabilities in Fe/NiO/Fe(001) epitaxial thin films

International Nuclear Information System (INIS)

Brambilla, A.; Biagioni, P.; Rougemaille, N.; Schmid, A.K.; Lanzara, A.; Duo, L.; Ciccacci, F.; Finazzi, M.

2006-01-01

We report on a magnetic imaging study of the Fe/NiO/Fe(001) trilayer structure, by means of X-ray photoemission electron microscopy (XPEEM) and spin-polarised low-energy electron microscopy (SPLEEM). Two different magnetic couplings between the Fe layers are observed depending on the NiO thickness being greater or smaller than a critical value. Very small magnetic domains and domain walls are observed in the top Fe layer. They are dramatically smaller than those observed in the Fe substrate, and have a convoluted topology. Furthermore they seem to be unstable with respect to an applied magnetic field for any NiO thickness except that corresponding to the transition between the different coupling regimes. The phenomenology of such magnetic nano-structures and the dependence of the magnetic behaviour of the layered structure on the NiO spacer thickness are discussed on the basis of the experimental results and of state-of-the-art theoretical models

Effect of isovector coupling channel on the macroscopic part of the nuclear binding energy

International Nuclear Information System (INIS)

Haddad, S.

2011-04-01

The effect of the isovector coupling channel on the macroscopic part of the nuclear binding energy is determined utilizing the relativistic density dependent Thomas-Fermi approach for the calculation of the macroscopic part of the nuclear binding energy, and the dependency of this effect on the numbers of neutrons and protons is studied. The isovector coupling channel leads to increased nuclear binding energy, and this effect sharpens with growing excess of the number of neutrons on the number of protons. (author)

CO-Bridged H-Cluster Intermediates in the Catalytic Mechanism of [FeFe]-Hydrogenase CaI.

Science.gov (United States)

Ratzloff, Michael W; Artz, Jacob H; Mulder, David W; Collins, Reuben T; Furtak, Thomas E; King, Paul W

2018-06-20

The [FeFe]-hydrogenases ([FeFe] H 2 ases) catalyze reversible H 2 activation at the H-cluster, which is composed of a [4Fe-4S] H subsite linked by a cysteine thiolate to a bridged, organometallic [2Fe-2S] ([2Fe] H ) subsite. Profoundly different geometric models of the H-cluster redox states that orchestrate the electron/proton transfer steps of H 2 bond activation have been proposed. We have examined this question in the [FeFe] H 2 ase I from Clostridium acetobutylicum (CaI) by Fourier-transform infrared (FTIR) spectroscopy with temperature annealing and H/D isotope exchange to identify the relevant redox states and define catalytic transitions. One-electron reduction of H ox led to formation of H red H + ([4Fe-4S] H 2+ -Fe I -Fe I ) and H red ' ([4Fe-4S] H 1+ -Fe II -Fe I ), with both states characterized by low frequency μ-CO IR modes consistent with a fully bridged [2Fe] H . Similar μ-CO IR modes were also identified for H red H + of the [FeFe] H 2 ase from Chlamydomonas reinhardtii (CrHydA1). The CaI proton-transfer variant C298S showed enrichment of an H/D isotope-sensitive μ-CO mode, a component of the hydride bound H-cluster IR signal, H hyd . Equilibrating CaI with increasing amounts of NaDT, and probed at cryogenic temperatures, showed H red H + was converted to H hyd . Over an increasing temperature range from 10 to 260 K catalytic turnover led to loss of H hyd and appearance of H ox , consistent with enzymatic turnover and H 2 formation. The results show for CaI that the μ-CO of [2Fe] H remains bridging for all of the "H red " states and that H red H + is on pathway to H hyd and H 2 evolution in the catalytic mechanism. These results provide a blueprint for designing small molecule catalytic analogs.

[NiFe] hydrogenase structural and functional models: new bio-inspired catalysts for hydrogen evolution

International Nuclear Information System (INIS)

Oudart, Y.

2006-09-01

Hydrogenase enzymes reversibly catalyze the oxidation and production of hydrogen in a range close to the thermodynamic potential. The [NiFe] hydrogenase active site contains an iron-cyano-carbonyl moiety linked to a nickel atom which is in an all sulphur environment. Both the active site originality and the potential development of an hydrogen economy make the synthesis of functional and structural models worthy. To take up this challenge, we have synthesised mononuclear ruthenium models and more importantly, nickel-ruthenium complexes, mimicking some structural features of the [NiFe] hydrogenase active site. Ruthenium is indeed isoelectronic to iron and some of its complexes are well-known to bear hydrides. The compounds described in this study have been well characterised and their activity in proton reduction has been successfully tested. Most of them are able to catalyze this reaction though their electrocatalytic potentials remain much more negative compared to which of platinum. The studied parameters point out the importance of the complexes electron richness, especially of the nickel environment. Furthermore, the proton reduction activity is stable for several hours at good rates. The ruthenium environment seems important for this stability. Altogether, these compounds represent the very first catalytically active [NiFe] hydrogenase models. Important additional results of this study are the synergetic behaviour of the two metals in protons reduction and the evidence of a protonation step as the limiting step of the catalytic cycle. We have also shown that a basic site close to ruthenium improves the electrocatalytic potential of the complexes. (author)

Moessbauer-spectroscopic study of structure and magnetism of the exchange-coupled layer systems Fe/FeSn{sub 2}, and Fe/FeSi/Si and the ion-implanted diluted magnetic semiconductor SiC(Fe); Moessbauerspektroskopische Untersuchung von Struktur und Magnetismus der austauschgekoppelten Schichtsysteme Fe/FeSn{sub 2} und Fe/FeSi/Si und des ionenimplantierten verduennten magnetischen Halbleiters SiC(Fe)

Energy Technology Data Exchange (ETDEWEB)

Stromberg, Frank

2009-07-07

In line with this work the structural and magnetic properties of the exchange coupled layered systems Fe/FeSn{sub 2} and Fe/FeSi/Si and of the Fe ion implanted diluted magnetic semiconductor (DMS) SiC(Fe) were investigated. The main measuring method was the isotope selective {sup 57}Fe conversion electron Moessbauer spectroscopy (CEMS), mostly in connection with the {sup 57}Fe tracer layer technique, in a temperature range from 4.2 K to 340 K. Further measurement techniques were X-ray diffraction (XRD), electron diffraction (LEED, RHEED), SQUID magnetometry and FMR (Ferromagnetic Resonance). In the first part of this work the properties of thin AF FeSn{sub 2}(001) films and of the exchange-bias system Fe/FeSn{sub 2}(001) on InSb(001) were investigated. With the application of {sup 57}Fe-tracer layers and CEMS both the Fe-spin structure and the temperature dependence of the magnetic hyperfine field (B{sub hf}) of FeSn{sub 2} could be examined. The evaporation of Fe films on the FeSn{sub 2} films produced in the latter ones a high perpendicular spin component at the Fe/FeSn{sub 2} interface. In some distance from the interface the Fe spins rotate back into the sample plane. Furthermore {sup 57}Fe-CEMS provided a correlation between the absolute value of the exchange field vertical stroke He vertical stroke and the amount of magnetic defects within the FeSn{sub 2}. Temperature dependent CEMS-measurements yielded informations about the spin dynamics within the AF. The transition temperatures T{sub B}{sup *}, which were interpreted as superparamagnetic blocking temperatures, obtain higher values compared to the temperatures T{sub B} of the exchange-bias effect, obtained with magnetometry measurements. The second part of this work deals with the indirect exchange coupling within Fe/FeSi/Si/FeSi/Fe multilayers and FeSi diffusion barriers. The goal was to achieve Fe free Si interlayers. The CEMS results show that starting from a thickness of t{sub FeSi}=10-12 A of the

The effect of interlayer adhesion on the mechanical behaviors of macroscopic graphene oxide papers.

Science.gov (United States)

Gao, Yun; Liu, Lu-Qi; Zu, Sheng-Zhen; Peng, Ke; Zhou, Ding; Han, Bao-Hang; Zhang, Zhong

2011-03-22

High mechanical performances of macroscopic graphene oxide (GO) papers are attracting great interest owing to their merits of lightweight and multiple functionalities. However, the loading role of individual nanosheets and its effect on the mechanical properties of the macroscopic GO papers are not yet well understood. Herein, we effectively tailored the interlayer adhesions of the GO papers by introducing small molecules, that is, glutaraldehyde (GA) and water molecules, into the gallery regions. With the help of in situ Raman spectroscopy, we compared the varied load-reinforcing roles of nanosheets, and further predicted the Young's moduli of the GO papers. Systematic mechanical tests have proven that the enhancement of the tensile modulus and strength of the GA-treated GO paper arose from the improved load-bearing capability of the nanosheets. On the basis of Raman and macroscopic mechanical tests, the influences of interlayer adhesions on the fracture mechanisms of the strained GO papers were inferred.

MFM study of NdFeB and NdFeB/Fe/NdFeB thin films

International Nuclear Information System (INIS)

Gouteff, P.C.; Folks, L.; Street, R.

1998-01-01

Domain structures of NdFeB thin films, ranging in thickness between 1500 and 29 nm, have been studied qualitatively by magnetic force microscopy (MFM). Samples were prepared using a range of sputtering conditions resulting in differences in properties such as texture, coercivity and magnetic saturation. MFM images of all the films showed extensive interaction domain structures, similar to those observed in nanocrystalline bulk NdFeB. An exchange-coupled NdFeB/Fe/NdFeB trilayer with layer thicknesses 18 nm/15 nm/18 nm, respectively, was also examined using MFM. (orig.)

Time-dependent entropy evolution in microscopic and macroscopic electromagnetic relaxation

International Nuclear Information System (INIS)

Baker-Jarvis, James

2005-01-01

This paper is a study of entropy and its evolution in the time and frequency domains upon application of electromagnetic fields to materials. An understanding of entropy and its evolution in electromagnetic interactions bridges the boundaries between electromagnetism and thermodynamics. The approach used here is a Liouville-based statistical-mechanical theory. I show that the microscopic entropy is reversible and the macroscopic entropy satisfies an H theorem. The spectral entropy development can be very useful for studying the frequency response of materials. Using a projection-operator based nonequilibrium entropy, different equations are derived for the entropy and entropy production and are applied to the polarization, magnetization, and macroscopic fields. I begin by proving an exact H theorem for the entropy, progress to application of time-dependent entropy in electromagnetics, and then apply the theory to relevant applications in electromagnetics. The paper concludes with a discussion of the relationship of the frequency-domain form of the entropy to the permittivity, permeability, and impedance

Heat capacity and magnetic properties of fluoride CsFe{sup 2+}Fe{sup 3+}F{sub 6} with defect pyrochlore structure

Energy Technology Data Exchange (ETDEWEB)

Gorev, M.V., E-mail: gorev@iph.krasn.ru [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation); Institute of Engineering Physics and Radio Electronics, Siberian State University, 660074 Krasnoyarsk (Russian Federation); Flerov, I.N. [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation); Institute of Engineering Physics and Radio Electronics, Siberian State University, 660074 Krasnoyarsk (Russian Federation); Tressaud, A. [Institut de Chimie de la Matière Condensée, ICMCB-CNRS, Université Bordeaux, 33608 Pessac Cedex (France); Bogdanov, E.V. [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation); Astafijev Krasnoyarsk State Pedagogical University, 660049 Krasnoyarsk (Russian Federation); Kartashev, A.V. [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation); Krasnoyarsk State Agrarian University, 660049 Krasnoyarsk (Russian Federation); Bayukov, O.A. [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation); Eremin, E.V. [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation); Institute of Engineering Physics and Radio Electronics, Siberian State University, 660074 Krasnoyarsk (Russian Federation); Krylov, A.S. [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, 660036 Krasnoyarsk (Russian Federation)

2016-05-15

Heat capacity, Mössbauer and Raman spectra as well as magnetic properties of fluoride CsFe{sub 2}F{sub 6} with defect pyrochlore structure were studied. In addition to recently found above room temperature three successive structural transformations Pnma-Imma-I4{sub 1}amd-Fd-3m, phase transition of antiferromagnetic nature with the 13.7 K Neel temperature and a broad heat capacity anomaly with a maximum at about 30 K were observed. The room temperature symmetry Pnma is unchanged at least down to 7 K. Simple model of indirect bond used to estimate the exchange interactions and to propose a magnetic structure model. - Graphical abstract: The ordered arrangement of Fe{sup 2+} and Fe{sup 3+} ions in high-spin states as well as antiferromagnetic phase transition followed by significant magnetic frustrations were found in pyrocholore-related CsFe{sup 2+}Fe{sup 3+}F{sub 6}. A magnetic structure was proposed using a simple model of indirect bonds. - Highlights: • The Pnma structure in pyrocholore CsFe{sub 2}F{sub 6} is stable down to helium temperature. • Mössbauer spectra confirmed the ordering of Fe{sup 2+} and Fe{sup 3+} ions. • Antiferromagnetic transformation and significant magnetic frustrations are found. • Experimental magnetic entropy agrees with entropy for Fe ions in high-spin state. • Superexchange interactions were calculated and a magnetic structure was proposed.

Reverse engineering of a railcar prototype via energetic macroscopic representation approach

International Nuclear Information System (INIS)

Agbli, Kréhi Serge; Hissel, Daniel; Sorrentino, Marco; Chauvet, Frédéric; Pouget, Julien

2016-01-01

Highlights: • A complex EMR model of a new railcar range has been developed. • A satisfactory assessment of the fuel consumption of the railcar. • The significant potential benefits are attainable by hybridizing the original railcar. • The regenerative braking can provide up to 240 kW h saving. - Abstract: Energetic Macroscopic Representation (EMR) modelling approach is proposed to perform model-based reverse-engineering of a new railcar range, having six propulsion units, each consisting of a diesel engine and a traction motor. Particularly, EMR intrinsic features were exploited to perform phenomenological structuration of power flows, thus allowing proper and comprehensive modelling of complex systems, such as the under-study railcar. Based on some prospective real trips, selected in such a way as to enable realistic evaluation of effective railcar effort, EMR-based prediction of railcar energy consumption is performed. Furthermore, physical consistency of each powertrain component operation was carefully verified. The suitability of EMR approach was thus proven effective to perform reverse-engineering of known specifications and available experimental data, with the final aim of reconstructing a high fidelity computational tool that meets computational burden requirements for subsequent model-based tasks deployment. Finally, specific simulation analyses were performed to evaluate the potential benefits attainable through electric hybridization of the original powertrain.

Macroscopic quantum electrodynamics of high-Q cavities

Energy Technology Data Exchange (ETDEWEB)

Khanbekyan, Mikayel

2009-10-27

In this thesis macroscopic quantum electrodynamics in linear media was applied in order to develop an universally valid quantum theory for the description of the interaction of the electromagnetic field with atomic sources in high-Q cavities. In this theory a complete description of the characteristics of the emitted radiation is given. The theory allows to show the limits of the applicability of the usually applied theory. In order to establish an as possible generally valid theory first the atom-field interaction was studied in the framework of macroscopic quantum electrodynamics in dispersive and absorptive media. In order to describe the electromagnetic field from Maxwell's equations was started, whereby the noise-current densities, which are connected with the absorption of the medium, were included. The solution of these equations expresses the electromagnetic field variables by the noise-current densities by means of Green's tensor of the macroscopic Maxwell equations. The explicit quantization is performed by means of the noise-current densities, whereby a diagonal Hamiltonian is introduced, which then guarantees the time development according to Maxwell's equation and the fulfillment of the fundamental simultaneous commutation relations of the field variables. In the case of the interaction of the medium-supported field with atoms the Hamiltonian must be extended by atom-field interactions energies, whereby the canonical coupling schemes of the minimal or multipolar coupling can be used. The dieelectric properties of the material bodies as well as their shape are coded in the Green tensor of the macroscopic Maxwell equations. As preparing step first the Green tensor was specified in order to derive three-dimensional input-output relations for the electromagnetic field operators on a plane multilayer structure. Such a general dewscription of the electromagnetic field allows the inclusion both of dispersion and absorption of the media and the

DFT calculations on N2O decomposition by binuclear Fe complexes in Fe/ZSM-5

NARCIS (Netherlands)

Yakovlev, A.L.; Zhidomirov, G.M.; Santen, van R.A.

2001-01-01

N2O decomposition catalyzed by oxidized Fe clusters localized in the micropores of Fe/ZSM-5 has been studied using the DFT approach and a binuclear cluster model of the active site. Three different reaction routes were found, depending on temperature and water pressure. The results show that below

Charge of a macroscopic particle in a plasma sheath

International Nuclear Information System (INIS)

Samarian, A.A.; Vladimirov, S.V.

2003-01-01

Charging of a macroscopic body levitating in a rf plasma sheath is studied experimentally and theoretically. The nonlinear charge vs size dependence is obtained. The observed nonlinearity is explained on the basis of an approach taking into account different plasma conditions for the levitation positions of different particles. The importance of suprathermal electrons' contribution to the charging process is demonstrated

Setup of a Parameterized FE Model for the Die Roll Prediction in Fine Blanking using Artificial Neural Networks

Science.gov (United States)

Stanke, J.; Trauth, D.; Feuerhack, A.; Klocke, F.

2017-09-01

Die roll is a morphological feature of fine blanked sheared edges. The die roll reduces the functional part of the sheared edge. To compensate for the die roll thicker sheet metal strips and secondary machining must be used. However, in order to avoid this, the influence of various fine blanking process parameters on the die roll has been experimentally and numerically studied, but there is still a lack of knowledge on the effects of some factors and especially factor interactions on the die roll. Recent changes in the field of artificial intelligence motivate the hybrid use of the finite element method and artificial neural networks to account for these non-considered parameters. Therefore, a set of simulations using a validated finite element model of fine blanking is firstly used to train an artificial neural network. Then the artificial neural network is trained with thousands of experimental trials. Thus, the objective of this contribution is to develop an artificial neural network that reliably predicts the die roll. Therefore, in this contribution, the setup of a fully parameterized 2D FE model is presented that will be used for batch training of an artificial neural network. The FE model enables an automatic variation of the edge radii of blank punch and die plate, the counter and blank holder force, the sheet metal thickness and part diameter, V-ring height and position, cutting velocity as well as material parameters covered by the Hensel-Spittel model for 16MnCr5 (1.7131, AISI/SAE 5115). The FE model is validated using experimental trails. The results of this contribution is a FE model suitable to perform 9.623 simulations and to pass the simulated die roll width and height automatically to an artificial neural network.

Preparation and Mechanical Properties of TiC-Fe Cermets and TiC-Fe/Fe Bilayer Composites

Science.gov (United States)

Zheng, Yong; Zhou, Yang; Li, Runfeng; Wang, Jiaqi; Chen, Lulu; Li, Shibo

2017-10-01

TiC-Fe cermets and TiC-Fe/Fe bilayer composites consisting of a pure Fe layer and a TiC-Fe cermets layer were fabricated by hot-pressing sintering. The pure Fe layer contributes to the toughness of composites, and the TiC-Fe cermets layer endows the composites with an improved tensile strength and hardness. The effect of TiC contents (30-60 vol.%) on the mechanical properties of TiC-Fe cermets and TiC-Fe/Fe bilayer composites was investigated. Among the TiC-Fe cermets, the 40 vol.% TiC-Fe cermets possessed the highest tensile strength of 581 MPa and Vickers hardness of 5.1 GPa. The maximum fracture toughness of 17.0 MPa m1/2 was achieved for the TiC-Fe cermets with 30 vol.% TiC. For the TiC-Fe/Fe bilayer composites, the 40 vol.% TiC-Fe/Fe bilayer composite owns the maximum tensile strength of 588 MPa, which is higher than that of 40 vol.% TiC-Fe cermets. In addition, the 33.5% increment of tensile strength of 30 vol.% TiC-Fe/Fe bilayer composite comparing with the 30 vol.% TiC-Fe cermets, which is attributed to the 30 vol.% TiC-Fe/Fe bilayer composite exhibited the largest interlaminar shear strength of 335 MPa. The bilayer composites are expected to be used as wear resistance components in some heavy wear conditions.

Relation between the Macroscopic Pattern of Elephant Ivory and Its Three-Dimensional Micro-Tubular Network

Science.gov (United States)

Albéric, Marie; Dean, Mason N.; Gourrier, Aurélien; Wagermaier, Wolfgang; Dunlop, John W. C.; Staude, Andreas; Fratzl, Peter; Reiche, Ina

2017-01-01

Macroscopic, periodic, dark and bright patterns are observed on sections of elephant tusk, in the dentin part (ivory). The motifs—also called Schreger pattern—vary depending on the orientation in the tusk: on sections perpendicular to the tusk axis, a checkerboard pattern is present whereas on sections longitudinal to it, alternating stripes are observed. This pattern has been used to identify elephant and mammoth ivory in archeological artifacts and informs on the continuous tissue growth mechanisms of tusk. However, its origin, assumed to be related to the 3D structure of empty microtubules surrounded by the ivory matrix has yet to be characterized unequivocally. Based on 2D observations of the ivory microtubules by means of a variety of imaging techniques of three different planes (transverse, longitudinal and tangential to the tusk axis), we show that the dark areas of the macroscopic pattern are due to tubules oblique to the surface whereas bright areas are related to tubules parallel to it. The different microstructures observed in the three planes as well as the 3D data obtained by SR-μCT analysis allow us to propose a 3D model of the microtubule network with helical tubules phase-shifted in the tangential direction. The phase shift is a combination of a continuous phase shift of π every 1 mm with a stepwise phase shift of π/2 every 500 μm. By using 3D modeling, we show how the 3D helical model better represents the experimental microstructure observed in 2D planes compared to previous models in the literature. This brings new information on the origin of the unique Schreger pattern of elephant ivory, crucial for better understanding how archaeological objects were processed and for opening new routes to rethink how biological materials are built. PMID:28125603

Photoionization of FE3+ Ions

International Nuclear Information System (INIS)

Ovchinnikov, O.; Schlachter, F.

2003-01-01

Photoionization of Fe3+ ions was studied for the first time using synchrotron radiation from the Advanced Light Source (ALS) and the merged-beams technique. Fe3+ ions were successfully produced using ferrocene in an electron cyclotron resonance ion source (ECR). The measured yield of Fe4+ photoions as a function of photon energy revealed the presence of resonances that correspond to excitation of autoionizing states. These resonances are superimposed upon the photoion yield produced by direct photoionization, which is a smooth, slowly decreasing function of energy. The spectra for the photoionization of Fe3+ will be analyzed and compared with theory. The data collected will also serve to test models for the propagation of light through ionized matter.

Formation of coarse Al13Fe4 particles and their effects in an RS/PM Al-Fe-V-Si alloy

International Nuclear Information System (INIS)

Lee, Sunghak; Lee, D.Y.; Ahn, Sangho.

1991-01-01

The present paper analyzed the fracture behavior of an RS/PM Al-Fe-V-Si alloy after high temperature exposure, in particular the effects of coarse Al13Fe4 particles formed during the exposure at 480 C. In situ SEM observations of crack opening processes found that brittle cleavage fracture occurred at these coarse Al13Fe4 particles, leading to the reduction in strength, fracture toughness, and ductility of the Al-Fe-V-Si alloy exposed to high temperatures. The results of fracture toughness were also interpreted using a simplified ductile fracture initiation model based on a basic assumption that crack extension starts to occur at a certain critical strain over a microstructurally significant critical distance. This model correlates microstructure to fracture toughness, confirming that the presence of coarse Al13Fe4 particles is the main metallurgical factor for the embrittlement phenomenon in the Al-Fe-V-Si alloy after high temperature exposure. 12 refs

Microscopic origin and macroscopic implications of lane formation in mixtures of oppositely driven particles

Science.gov (United States)

Klymko, Katherine; Geissler, Phillip L.; Whitelam, Stephen

2016-08-01

Colloidal particles of two types, driven in opposite directions, can segregate into lanes [Vissers et al., Soft Matter 7, 2352 (2011), 10.1039/c0sm01343a]. This phenomenon can be reproduced by two-dimensional Brownian dynamics simulations of model particles [Dzubiella et al., Phys. Rev. E 65, 021402 (2002), 10.1103/PhysRevE.65.021402]. Here we use computer simulation to assess the generality of lane formation with respect to variation of particle type and dynamical protocol. We find that laning results from rectification of diffusion on the scale of a particle diameter: oppositely driven particles must, in the time taken to encounter each other in the direction of the drive, diffuse in the perpendicular direction by about one particle diameter. This geometric constraint implies that the diffusion constant of a particle, in the presence of those of the opposite type, grows approximately linearly with the Péclet number, a prediction confirmed by our numerics over a range of model parameters. Such environment-dependent diffusion is statistically similar to an effective interparticle attraction; consistent with this observation, we find that oppositely driven nonattractive colloids display features characteristic of the simplest model system possessing both interparticle attractions and persistent motion, the driven Ising lattice gas [Katz, Leibowitz, and Spohn, J. Stat. Phys. 34, 497 (1984), 10.1007/BF01018556]. These features include long-ranged correlations in the disordered regime, a critical regime characterized by a change in slope of the particle current with the Péclet number, and fluctuations that grow with system size. By analogy, we suggest that lane formation in the driven colloid system is a phase transition in the macroscopic limit, but that macroscopic phase separation would not occur in finite time upon starting from disordered initial conditions.

Unidirectional high fiber content composites: Automatic 3D FE model generation and damage simulation

DEFF Research Database (Denmark)

Qing, Hai; Mishnaevsky, Leon

2009-01-01

A new method and a software code for the automatic generation of 3D micromechanical FE models of unidirectional long-fiber-reinforced composite (LFRC) with high fiber volume fraction with random fiber arrangement are presented. The fiber arrangement in the cross-section is generated through random...

Coercivity scaling in antidot lattices in Fe, Ni, and NiFe thin films

Energy Technology Data Exchange (ETDEWEB)

Gräfe, Joachim, E-mail: graefe@is.mpg.de; Schütz, Gisela; Goering, Eberhard J., E-mail: goering@is.mpg.de

2016-12-01

Antidot lattices can be used to artificially engineer magnetic properties in thin films, however, a conclusive model that describes the coercivity enhancement in this class of magnetic nano-structures has so far not been found. We prepared Fe, Ni, and NiFe thin films and patterned each with 21 square antidot lattices with different geometric parameters and measured their hysteretic behavior. On the basis of this extensive dataset we are able to provide a model that can describe both the coercivity scaling over a wide range of geometric lattice parameters and the influence of different materials.

On creating macroscopically identical granular systems with different numbers of particles

Science.gov (United States)

van der Meer, Devaraj; Rivas, Nicolas

2015-11-01

One of the fundamental differences between granular and molecular hydrodynamics is the enormous difference in the total number of constituents. The small number of particles implies that the role of fluctuations in granular dynamics is of paramount importance. To obtain more insight in these fluctuations, we investigate to what extent it is possible to create identical granular hydrodynamic states with different number of particles. A definition is given of macroscopically equivalent systems, and the dependency of the conservation equations on the particle size is studied. We show that, in certain cases, and by appropriately scaling the microscopic variables, we are able to compare systems with significantly different number of particles that present the same macroscopic phenomenology. We apply these scalings in simulations of a vertically vibrated system, namely the density inverted granular Leidenfrost state and its transition to a buoyancy-driven convective state.

The Fe/Mn constraint on precursors of basaltic achondrites

Science.gov (United States)

Delaney, Jeremy S.; Boesenberg, Joseph S.

1993-01-01

Most achondritic meteorites have Fe/Mn ratios that are lower than those of carbonaceous chondrites and of course are lower than the solar system abundance ratio of these elements. Models of the origin of achondritic assemblages must, therefore, account for these ratios. Fe/Mn ratios are suggested to be distinctive for samples from each achondrite parent body and for the Earth and Moon, but the correspondence between the Fe/Mn systematics of achondrites and chondritic precursors is unclear. Most models of achondrite genesis involve magmatic differentiation of chondritic precursors. The Fe/Mn difference between achondrites and chondrites is particularly significant since Fe and Mn are geochemically similar elements with similar partitioning behavior in familiar magmatic systems and are generally coupled during crystal-liquid fractionation. In contrast, however, Mn is more volatile than Fe in a nebular setting. Variation of Fe/Mn ratios based on the relative volatility of these elements in the early nebula provides a constraint for models by which the basaltic achondrites (with Fe/Mn ratios approximately = 25-50) are derived from mixtures of nebular components that were enriched in volatile components such as Mn. However, such volatile enriched components have not been identified in chondrites. When the abundance in achondrites of elements of similar volatility is examined, anomalies appear. For example, Na is massively depleted in basaltic achondrites when compared to Mn. These anomalies might be explained using current models but the alternative hypothesis, that Fe/Mn ratio is controlled not by nebular volatility constraints, but by planetary differentiation should be explored.

FE Modeling of Human Vocal Tract Acoustics. Part I: Production of Czech Vowels

Czech Academy of Sciences Publication Activity Database

Vampola, T.; Horáček, Jaromír; Švec, J. G.

2008-01-01

Roč. 94, č. 3 (2008), s. 433-447 ISSN 1610-1928 R&D Projects: GA ČR GA106/04/1025 Institutional research plan: CEZ:AV0Z20760514; CEZ:AV0Z10100502 Keywords : biomechanics of voice * FE models of human vocaltract * acoustic modal analysis Subject RIV: BI - Acoustics Impact factor: 0.538, year: 2008

Genesis of nanostructured, magnetically tunable ceramics from the pyrolysis of cross-linked polyferrocenylsilane networks and formation of shaped macroscopic objects and micron scale patterns by micromolding inside silicon wafers.

Science.gov (United States)

Ginzburg, Madlen; MacLachlan, Mark J; Yang, San Ming; Coombs, Neil; Coyle, Thomas W; Raju, Nandyala P; Greedan, John E; Herber, Rolfe H; Ozin, Geoffrey A; Manners, Ian

2002-03-20

The ability to form molded or patterned metal-containing ceramics with tunable properties is desirable for many applications. In this paper we describe the evolution of a ceramic from a metal-containing polymer in which the variation of pyrolysis conditions facilitates control of ceramic structure and composition, influencing magnetic and mechanical properties. We have found that pyrolysis under nitrogen of a well-characterized cross-linked polyferrocenylsilane network derived from the ring-opening polymerization (ROP) of a spirocyclic [1]ferrocenophane precursor gives shaped macroscopic magnetic ceramics consisting of alpha-Fe nanoparticles embedded in a SiC/C/Si(3)N(4) matrix in greater than 90% yield up to 1000 degrees C. Variation of the pyrolysis temperature and time permitted control over the nucleation and growth of alpha-Fe particles, which ranged in size from around 15 to 700 A, and the crystallization of the surrounding matrix. The ceramics contained smaller alpha-Fe particles when prepared at temperatures lower than 900 degrees C and displayed superparamagnetic behavior, whereas the materials prepared at 1000 degrees C contained larger alpha-Fe particles and were ferromagnetic. This flexibility may be useful for particular materials applications. In addition, the composition of the ceramic was altered by changing the pyrolysis atmosphere to argon, which yielded ceramics that contain Fe(3)Si(5). The ceramics have been characterized by a combination of physical techniques, including powder X-ray diffraction, TEM, reflectance UV-vis/near-IR spectroscopy, elemental analysis, XPS, SQUID magnetometry, Mössbauer spectroscopy, nanoindentation, and SEM. Micromolding of the spirocyclic [1]ferrocenophane precursor within soft lithographically patterned channels housed inside silicon wafers followed by thermal ROP and pyrolysis enabled the formation of predetermined micron scale designs of the magnetic ceramic.

Doping dependence of the anisotropic quasiparticle interference in NaFe(1-x)Co(x)As iron-based superconductors.

Science.gov (United States)

Cai, Peng; Ruan, Wei; Zhou, Xiaodong; Ye, Cun; Wang, Aifeng; Chen, Xianhui; Lee, Dung-Hai; Wang, Yayu

2014-03-28

We use scanning tunneling microscopy to investigate the doping dependence of quasiparticle interference (QPI) in NaFe1-xCoxAs iron-based superconductors. The goal is to study the relation between nematic fluctuations and Cooper pairing. In the parent and underdoped compounds, where fourfold rotational symmetry is broken macroscopically, the QPI patterns reveal strong rotational anisotropy. At optimal doping, however, the QPI patterns are always fourfold symmetric. We argue this implies small nematic susceptibility and, hence, insignificant nematic fluctuation in optimally doped iron pnictides. Since TC is the highest this suggests nematic fluctuation is not a prerequistite for strong Cooper pairing.

Macroscopic superposition states and decoherence by quantum telegraph noise

Energy Technology Data Exchange (ETDEWEB)

Abel, Benjamin Simon

2008-12-19

In the first part of the present thesis we address the question about the size of superpositions of macroscopically distinct quantum states. We propose a measure for the ''size'' of a Schroedinger cat state, i.e. a quantum superposition of two many-body states with (supposedly) macroscopically distinct properties, by counting how many single-particle operations are needed to map one state onto the other. We apply our measure to a superconducting three-junction flux qubit put into a superposition of clockwise and counterclockwise circulating supercurrent states and find this Schroedinger cat to be surprisingly small. The unavoidable coupling of any quantum system to many environmental degrees of freedom leads to an irreversible loss of information about an initially prepared superposition of quantum states. This phenomenon, commonly referred to as decoherence or dephasing, is the subject of the second part of the thesis. We have studied the time evolution of the reduced density matrix of a two-level system (qubit) subject to quantum telegraph noise which is the major source of decoherence in Josephson charge qubits. We are able to derive an exact expression for the time evolution of the reduced density matrix. (orig.)

Parameterized representation of macroscopic cross section for PWR reactor

International Nuclear Information System (INIS)