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

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27th annual CSP workshops on "recent developments in computer simulation studies in condensed matter physics", CSP 2014 first principles modeling of electrolyte materials in all-solid-state batteries 27th

27th annual CSP workshops on "recent developments in compute...

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workshop on computer simulation studies in condensed matter physics, CSP 2014

作者： Holzwarth, N.A.W. Department of Physics Wake Forest University Winston-SalemNC27109 United States

This contribution reviews the series of approximations that comprise "first principles" modeling techniques which we have used in recent years to simulate ideal models of solid electrolytes, some of which are of technological interest in the development of all-solid-state battery technologies. © 2014 The Authors. Published by Elsevier B.V.

关键词： Solid electrolytes

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27th annual CSP workshops on "recent developments in computer simulation studies in condensed matter physics", CSP 2014 physics of cell adhesion failure and human diseases 27th

27th annual CSP workshops on "recent developments in compute...

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workshop on computer simulation studies in condensed matter physics, CSP 2014

作者： Family, Fereydoon Department of Physics Emory University AtlantaGA30322 United States

Emergent phenomena in living systems, including your ability to read these lines, do not obviously follow as a consequence of the fundamental laws of physics. Understanding the physics of living systems clearly falls outside the conventional boundaries of scientific disciplines and requires a collaborative, multidisciplinary approach. Here I will discuss how theoretical and computational techniques from statistical physics can be used to make progress in explaining the physical mechanisms that underlie complex biological phenomena, including major diseases. In the specific cases of macular degeneration and cancer that we have studied recently, we find that the breakdown of the mechanical stability in the local tissue structure caused by weakening of the cell-cell adhesion plays a key role in the initiation and progression of the disease. This finding can help in the development of new therapies that would prevent or halt the initiation and progression of these diseases. © 2014 The Authors. Published by Elsevier B.V.

关键词： condensed matter physics

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27th Annual CSP workshops on "recent developments in computer simulation studies in condensed matter physics", CSP 2014 A computational study of blebbing in lipid membranes 27th

27th Annual CSP Workshops on "Recent Developments in Compute...

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workshop on computer simulation studies in condensed matter physics, CSP 2014

作者： Spangler, Eric Kumar, P.B. Sunil Laradji, Mohamed Department of Physics University of Memphis MemphisTN38152 United States Department of Physics Indian Institute of Technology Madras Chennai600 036 India

Blebs are membrane protrusions that appear during several physiological processes in eukaryotic cells. The phase behavior and kinetics of blebbing in cellular membrane is investigated computationally using a particle-based model for self-assembled lipid vesicles apposed to an elastic meshwork, mimicking a cell's cytoskeleton. We found that blebbing is induced when the cytoskeleton is subjected to a localized ablation, detachment from the membrane, or a uniform contraction. These results are in good agreement with experiments. © 2014 The Authors. Published by Elsevier B.V.

关键词： condensed matter physics

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recent developments in computer simulation studies in condensed matter physics

Recent Developments in Computer Simulation Studies in Conden...

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23rd Annual workshop on recent developments in computer simulation studies in condensed matter physics

The proceedings contain 18 papers. The topics discussed include: parallel codes for simulating elastic constants and melting in Ar and Mg;contact-density analysis of lattice polymer adsorption transitions;effect of next-nearest neighbor interactions on the dynamic order parameter of the kinetic ising model in an oscillating field;statistical physics of age related macular degeneration;some topics in the kinetics of protein aggregation;ab initio simulations of peptide-mineral interactions;a worm algorithm for random spatial permutations;molecular-level understanding of environmental interfaces using density functional theory modeling;renormalization group calculation of electron transport through a fully connected blob;multi-dimensional multicanonical algorithm, simulated tempering, replica-exchange method, and all that;steady-state and transient properties of reaction-diffusion systems;and computational analysis of network survivability with application to power systems.

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27th annual CSP workshops on "recent developments in computer simulation studies in condensed matter physics", CSP 2014 the inverse ising problem 27th

27th annual CSP workshops on "recent developments in compute...

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workshop on computer simulation studies in condensed matter physics, CSP 2014

作者： Albert, Joseph Swendsen, Robert H. Physics Department Carnegie Mellon University PittsburghPA15213 United States

The inverse Ising problem consists of taking a set of Ising configurations generated with unknown interaction parameters, and determining reliable estimates for the values of those interaction parameters. The problem first arose in connection with the Monte Carlo renormalization group, and was solved thirty years ago. recently, there has been renewed interest in the inverse Ising problem due to biological applications. The original solution seems to have been forgotten, as it was rediscovered in a different representation by Aurell and Ekeberg in 2012. In this paper we modify the earlier equations to solve problems that are not translationally invariant. © 2014 The Authors. Published by Elsevier B.V.

关键词： Inverse problems

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27th annual CSP workshops on "recent developments in computer simulation studies in condensed matter physics", CSP 2014 sampling in the multicanonical ensemble: Small he clusters in W 27th

27th annual CSP workshops on "recent developments in compute...

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workshop on computer simulation studies in condensed matter physics, CSP 2014

作者： Vogel, Thomas Perez, Danny Los Alamos National Laboratory Los AlamosNM87545 United States

We carry out generalized-ensemble molecular dynamics simulations of the formation of small helium (He) clusters in bulk tungsten (W), a process of practical relevance for fusion energy production. We calculate formation free energies of small helium clusters at temperatures up to the melting point ofW, encompassing the whole range of interest for fusion-energy production. From this, parameters like cluster break-up or formation rates can be calculated, which help to refine models of microstructure evolution in He-irradiated tungsten. © 2014 The Authors. Published by Elsevier B.V.

关键词： condensed matter physics

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27th annual CSP workshops on "recent developments in computer simulation studies in condensed matter physics", CSP 2014 a tool for parameter-space explorations 27th

27th annual CSP workshops on "recent developments in compute...

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workshop on computer simulation studies in condensed matter physics, CSP 2014

作者： Murase, Yohsuke Uchitane, Takeshi Ito, Nobuyasu Advanced Institute for Computational Science RIKEN 7-1-26 Minatojima-minami-machi Chuo-ku Kobe Hyogo Japan CREST JST Japan Department of Applied Physics School of Engineering University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo113-8656 Japan

A software for managing simulation jobs and results, named "OACIS", is presented. It controls a large number of simulation jobs executed in various remote servers, keeps these results in an organized way, and manages the analyses on these results. The software has a web browser front end, and users can submit various jobs to appropriate remote hosts from a web browser easily. After these jobs are finished, all the result files are automatically downloaded from the computational hosts and stored in a traceable way together with the logs of the date, host, and elapsed time of the jobs. Some visualization functions are also provided so that users can easily grasp the overview of the results distributed in a high-dimensional parameter space. Thus, OACIS is especially beneficial for the complex simulation models having many parameters for which a lot of parameter searches are required. By using API of OACIS, it is easy to write a code that automates parameter selection depending on the previous simulation results. A few examples of the automated parameter selection are also demonstrated. © 2014 The Authors. Published by Elsevier B.V.

关键词： condensed matter physics

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27th annual CSP workshops on "recent developments in computer simulation studies in condensed matter physics", CSP 2014 effect of bending stiffness on a homopolymer inside a spherical cage 27th

27th annual CSP workshops on "recent developments in compute...

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workshop on computer simulation studies in condensed matter physics, CSP 2014

作者： Marenz, Martin Janke, Wolfhard Institut Fur Theoretische Physik Universität Leipzig Postfach Leipzig100 920 04009 Germany

In this work we investigate the effect of bending stiffness on a homopolymer inside a spherical confinement. In particular we are interested in the collapse transition and its dependence on the size of the confinement and the stiffness of the polymer. Using an advanced multicanonical Monte Carlo algorithm, we sample the phase space of a coarse-grained homopolymer model. We find that the confinement leads to a shift of the collapse transition temperature with a stiffness-dependent direction: flexible polymers become more unstable for a smaller confinement in contrast to semi-flexible polymers, where the transition temperature increases with decreasing size of the confinement. © 2014 The Authors. Published by Elsevier B.V.

关键词： condensed matter physics

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27th annual CSP workshops on "recent developments in computer simulation studies in condensed matter physics", CSP 2014 open boundary conditions in stochastic transport processes with pair-factorized steady states 27th

27th annual CSP workshops on "recent developments in compute...

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workshop on computer simulation studies in condensed matter physics, CSP 2014

作者： Nagel, Hannes Labavíc, Darka Meyer-Ortmanns, Hildegard Janke, Wolfhard Institut Fur Theoretische Physik Universität Leipzig LeipzigPostfach100 920 04009 Germany School of Engineering and Science Jacobs University Bremen P.O. Box 750561 Bremen28725 Germany

Using numerical methods we discuss the effects of open boundary conditions on condensation phenomena in the zero-range process (ZRP) and transport processes with pair-factorized steady states (PFSS), an extended model of the ZRP with nearest-neighbor interaction. For the zero-range process we compare to analytical results in the literature with respect to criticality and condensation. For the extended model we find a similar phase structure, but observe supercritical phases with droplet formation for strong boundary drives. © 2014 The Authors. Published by Elsevier B.V.

关键词： condensed matter physics

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27th annual CSP workshops on "recent developments in computer simulation studies in condensed matter physics", CSP 2014 transmuted finite-size scaling at first-order phase transitions 27th

27th annual CSP workshops on "recent developments in compute...

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workshop on computer simulation studies in condensed matter physics, CSP 2014

作者： Mueller, Marco Janke, Wolfhard Johnston, Desmond A. Institut Fur Theoretische Physik Universität Leipzig Postfach Leipzig100 920 04009 Germany Department of Mathematics School of Mathematical and Computer Sciences Heriot-Watt University RiccartonEH144AS United Kingdom

It is known that fixed boundary conditions modify the leading finite-size corrections for an L3 lattice in 3d at a first-order phase transition from 1/L3 to 1/L. We note that an exponential low-temperature phase degeneracy of the form 23L will lead to a different leading correction of order 1/L2. A 3d gonihedric Ising model with a four-spin interaction, plaquette Hamiltonian displays such a degeneracy and we confirm the modified scaling behaviour using high-precision multicanonical simulations. We remark that other models such as the Ising antiferromagnet on the FCC lattice, in which the number of "true" low-temperature phases is not macroscopically large but which possess an exponentially degenerate number of low lying states may display an effective version of the modified scaling law for the range of lattice sizes accessible in simulations. © 2014 The Authors. Published by Elsevier B.V.

关键词： condensed matter physics

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