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检索条件"任意字段=Workshop on Recent Developments in Computer Simulation Studies in Condensed Matter Physics"

共 88 条记录，以下是11-20 订阅

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Three dimensional visualization of simulations of liquids and solids 32

Three dimensional visualization of simulations of liquids an...

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32nd Annual CSP workshop on recent developments in computer simulation studies in condensed matter physics, CSP 2019

作者： Adler, Joan Segal, Eden Zeltyn, Grisha Physics Department Technion-IIT Haifa32000 Israel

Visualization in three dimensions is invaluable for understanding the nature of condensed and fluid systems, but it is not always easy. In nature it is hard to view sample interiors, but on computers it is possible. We describe and contrast two opposite approaches - "smoke" visualization for viewing interiors of liquid samples and interactive WebGL for solids and molecules. Both are extensions of earlier Technion Computational physics group projects and complement and are interoperable with the recent SimPhoNy Fp7 project. They require only desktop hardware and software accessible to students. Examples and standalone instructions for both are presented, starting with sample creation and concluding with image galleries. © 2021 Institute of physics Publishing. All rights reserved.

关键词： Visualization

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Visualization by optical fluorescence of two-phase flow in a three-dimensional porous medium 33

Visualization by optical fluorescence of two-phase flow in a...

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33rd Annual CSP workshop on recent developments in computer simulation studies in condensed matter physics, CSP 2020

作者： Brodin, Joachim Falck Moura, Marcel Toussaint, Renaud Måløy, Knut Jørgen Rikvold, Per Arne PoreLab NJORD Centre University of Oslo P.O. Box 1048 Blindern 0316 Norway Université de Strasbourg CNRS Institut de Physique du Globe de Strasbourg UMR 7516 France Department of Physics Florida State University TallahasseeFL32306-4350 United States

Slow flow of a single fluid through a porous medium is well understood on a macroscopic level through Darcy's law, a linear relation between flow rate and a combination of pressure differences, viscosity, and gravitational forces. Two-phase flow is complicated by the interface separating the fluids, but understanding of two-dimensional, two-phase flow has been obtained from experiments using transparent cells. In most three-dimensional media, however, visual observation is difficult. Here, we present preliminary results of experiments on a model medium consisting of randomly packed glass spheres, in which one fluorescent liquid invades another. By refractive index matching and scanning with a sheet-shaped laser beam, we obtain slices of the flow patterns, which we combine into three-dimensional pictures. We observe a compact region of invading fluid, surrounded by finger-like protrusions. The compact region becomes more dominant with increasing invader flow rate. The patterns are theoretically analyzed in terms of the interplay between gravitational, viscous, and capillary forces. © Published under licence by IOP Publishing Ltd.

关键词： Porous materials

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Some aspects of a two-pore translocation problem 32

Some aspects of a two-pore translocation problem

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32nd Annual CSP workshop on recent developments in computer simulation studies in condensed matter physics, CSP 2019

作者： Bhattacharya, Aniket Department of Physics University of Central Florida Orlando United States

We report Brownian dynamics (BD) simulation results for a coarse-grained (CG) model semi-flexible polymer threading through two nanopores. Particularly we study a "tug-of-war" situation where equal and opposite forces are applied on each pore to avoid folds for the polymer segment in between the pores. We calculate mean first passage times (MFPT) through the left and the right pores and show how the MFPT decays as a function of the off-set voltage between the pores. We present results for several bias voltages and chain stiffness. Our BD simulation results validate recent experimental results and offer avenues to further explore various aspects of multi-pore translocation problem using BD simulation strategies which we believe will provide insights to design new experiments. © 2021 Institute of physics Publishing. All rights reserved.

关键词： Tugboats

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Power-law distribution found in city-scale traffic flow simulation 32

Power-law distribution found in city-scale traffic flow simu...

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32nd Annual CSP workshop on recent developments in computer simulation studies in condensed matter physics, CSP 2019

作者： Umemoto, Daigo Ito, Nobuyasu RIKEN Center for Computational Sciences 7-1-26 Minatojima-minami-machi Chuo-ku Hyogo Kobe650-0047 Japan Department of Applied Physics Graduate School of Engineering The University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo113-8656 Japan

Origin of a power-law in traffic-volume distribution found in traffic simulations of Kobe city was studied. The traffic distribution which was obtained from a shortest path search with randomized OD (origin-destination) set in Kobe city digital map obeys power-law. The toy model that Cayley tree is embedded in the network is also verified. It is theoretically shown that the traffic distribution with all possible OD set in a Cayley tree obeys power-law like distribution. With randomized OD set, the distribution is diffused from the theoretical point sets. Relationship between these facts and the origin of power-law is discussed. © 2021 Institute of physics Publishing. All rights reserved.

关键词： Forestry

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Role of electron correlations in some Weyl systems 32

Role of electron correlations in some Weyl systems

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32nd Annual CSP workshop on recent developments in computer simulation studies in condensed matter physics, CSP 2019

作者： Aryal, Niraj Manousakis, Efstratios Department of Physics National High Magnetic Field Laboratory Florida State University TallahasseeFL32306-4350 United States Department of Physics University of Athens Panepistimioupolis Zografos Athens157 84 Greece

We are discussing a model to understand previously obtained results on Weyl semimetals as realized in MoTe2 using DFT and DFT+U calculations. The model is motivated from general principles and we use it to investigate the effects of Coulomb correlations originating from the localized nature of the Mo-d orbitals. We find that such correlations can eliminate or create pairs of Weyl points as the strength of the Coulomb interaction is varied. The effect of the spin-orbit coupling (SOC) is to split each Weyl point, which is assumed present in the absence of SOC, into pairs of spin-chiral partners. © 2021 Institute of physics Publishing. All rights reserved.

关键词： Molybdenum compounds

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Comparison of quantum and classical methods for labels and patterns in Restricted Boltzmann Machines 32

Comparison of quantum and classical methods for labels and p...

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32nd Annual CSP workshop on recent developments in computer simulation studies in condensed matter physics, CSP 2019

作者： Dixit, Vivek Koshka, Yaroslav Aldwairi, Tamer Novotny, M.A. Mississippi StateMS39759 United States Department of Electrical and Computer Engineering MSU Mississippi StateMS39762 United States Mathematics and Computer Science Ursinus College CollegevillePA19426 United States Department of Physics and Astronomy MSU Mississippi StateMS39762 United States

Classification and data reconstruction using a restricted Boltzmann machine (RBM) is presented. RBM is an energy-based model which assigns low energy values to the configurations of interest. It is a generative model, once trained it can be used to produce samples from the target distribution. The D-Wave 2000Q is a quantum computer which has been used to exploit its quantum effect for machine learning. Bars-and-stripes (BAS) and cybersecurity (ISCX) datasets were used to train RBMs. The weights and biases of trained RBMs were used to map onto the D-Wave. Classification as well as image reconstruction were performed. Classification accuracy of both datasets indicates comparable performance using D-Wave's adiabatic annealing and classical Gibb's sampling. © 2021 Institute of physics Publishing. All rights reserved.

关键词： Classification (of information)

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A 64 bit quantum dragon data-set for machine learning 32

A 64 bit quantum dragon data-set for machine learning

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32nd Annual CSP workshop on recent developments in computer simulation studies in condensed matter physics, CSP 2019

作者： Novotny, M.A. Koshka, Yaroslav Inkoom, G. Dixit, Vivek Center for Computational Sciences High Performance Computing Collaboratory Mississippi State University Mississippi StateMS39762-9627 United States Department of Physics and Astronomy Mississippi State University Mississippi StateMS39762-5167 United States Department of Electrical and Computer Engineering Mississippi State University Mississippi StateMS39762 United States

Design and examples of a sixty-four bit quantum dragon data-set are presented. A quantum dragon is a tight-binding model for a strongly disordered nanodevice, but when connected to appropriate semi-infinite leads has complete electron transmission for a finite interval of energies. The labeled data-set contains records which are quantum dragons, which are not quantum dragons, and which are indeterminate. The quantum dragon data-set is designed to be difficult for trained humans and machines to label a nanodevice with regard to its quantum dragon property. The 64 bit record length allows the data-set to be utilized in restricted Boltzmann machines which fit well onto the D-Wave 2000Q quantum annealer architecture. © 2021 Institute of physics Publishing. All rights reserved.

关键词： Machine learning

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Anisotropy in condensed matter - liquid crystals, glass, and phase coexistence 31

Anisotropy in condensed matter - liquid crystals, glass, and...

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31st Annual workshop on recent developments in computer simulation studies in condensed matter physics

作者： Aoki, K. M. Inst Computat Fluid Dynam iCFD 1-16-5 Haramachi Tokyo Japan Waseda Univ Kagami Mem Res Inst Mat Sci & Technol Tokyo Japan

Molecular dynamics (MD) methods suitable for treating anisotropic fluctuations in condensed matter are discussed. Barostats with two anisotropic factors to control the simulation cell dynamics are introduced in three MD simulation methods;constant pressure, constant surface tension, and canonical hydrostatic. To demonstrate the possibilities of these methods, calculations of two systems, one consisting of anisotropic particles and other consisting of isotropic particles, are presented.

关键词： Anisotropy

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Thermodynamic analysis of semiflexible helical polymers 31

Thermodynamic analysis of semiflexible helical polymers

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31st Annual workshop on recent developments in computer simulation studies in condensed matter physics

作者： Williams, Matthew J. Bachmann, Michael Murray State Univ Inst Engn Murray KY 42071 USA Univ Georgia Ctr Simulat Phys Soft Matter Syst Res Grp Athens GA 30602 USA

Tertiary structure formation underlies the folding mechanics of many classes of polymers. A simplified model of helical polymers is a useful system in which to begin studying the formation and properties of compact conformations known from biomolecules. Hyper-phase diagrams and structural transitions are presented for polymers of length 40 and 50 over an array of model parameters.

关键词： Thermoanalysis

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Ab initio density-functional studies of 13-atom Cu and Ag clusters 31

Ab initio density-functional studies of 13-atom Cu and Ag cl...

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31st Annual workshop on recent developments in computer simulation studies in condensed matter physics

作者： Limbu, Dil K. Madueke, Michael U. Atta-Fynn, Raymond Drabold, David A. Biswas, Parthapratim Univ Southern Mississippi Dept Phys & Astron Hattiesburg MS 39406 USA Univ Texas Arlington Dept Phys Arlington TX 76019 USA Ohio Univ Dept Phys & Astron Athens OH 45701 USA

The putative ground-state structures of 13-atom Cu and Ag clusters have been studied using ab initio molecular-dynamics (AIMD) based on density-functional theory (DFT). An ensemble of low-energy configurations, collected along the AIMD trajectory and optimized to nearest local minimum-energy configurations, were studied. An analysis of the results suggests the existence of low-symmetric bilayer structures as strong candidates for the putative ground-state structure of Cu 13 and Ag 13 clusters. These bilayer structures are markedly different from a buckled bi-planar (BBP) configuration and energetically favorable, by about 0.4-0.5 eV, than the latter proposed earlier by others. Our study reveals that the structure of the resulting putative global-minimum configuration is essentially independent of the nature of basis functions (i.e., plane waves vs. pseudoatomic orbitals) employed in the calculations, for a given exchange-correlation functional. The structural configurations obtained from plane-wave-based DFT calculations show a noticeably tighter or dense first-shell of Cu and Ag atoms. A comparison of our results with recent full-potential DFT simulations is presented.

关键词： Density functional theory

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