Modeling and Simulation of New Materials: Tenth Granada Lectures, Granada, Spain 15-19 September 2008

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Format: Hardcover
Pub. Date: 2009-02-24
Publisher(s): Amer Inst of Physics
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Summary

This volume originated at the 10th Granada Seminar (a series of small topical conferences whose pedagogical effort is especially aimed at young researchers), held at the University of Granada, Spain, September 15-19, 2008, and contains the main lectures and a selection of contributed papers in that conference. This is the tenth of a series of Granada Lectures previously published by: World Scientific (Singapore 1993), Springer Verlag (Berlin 1995 and 1997) Lecture Notes in Physics volumes 448 and 493, Elsevier (Amsterdam 1999) Computer Physics Communications vols. 121 and 122, and the American Institute of Physics Conference Proceedings Series, volumes 574, 661, 779 and 887. These books and the successive editions of the Seminar since 1990 are described in detail at http://ergodic.ugr.es/cp/. An effort has been made by authors and editors to offer pedagogical notes in the present book. In particular, each topic is comprehensively described and, eventually, some practical exercises are proposed. We try to mold the Granada Lectures into a series of books that help introduce the beginner to novel advances in statistical physics and to the creative use of computers in scientific research, as well as to serve as a work of reference for teachers, students and researchers.

Table of Contents

Editors' Prefacep. xi
Granada Seminar Steering Committeep. xiii
Molecular Simulation Methods for Soft Matterp. 1
Pattern Formation in Systems with Competing Interactionsp. 44
Introduction to Monte Carlo Simulations of Polymersp. 55
From Micro to Macro Scales Using Simulation: Examples from Hydrodynamics, Elasticity, and Plasticityp. 79
On the Relaxation Dynamics of Glass-forming Systems: Insights from Computer Simulationsp. 95
Fluctuations of a Piston on Top of a Fluidized Granular Gasp. 109
Brazil Nut Effect: -Influence of Friction and Jamming on the Transition Linep. 124
Molecular Ordering at an Interface by Molecular Dynamicsp. 134
Modeling and Simulation of Macrocapillarityp. 141
Monte Carlo Simulation of the Equilibrium Spin Glass Phase in Disordered Assemblies of Magnetic Nanoparticlesp. 151
Domain Growth in 2D: Exact Resultsp. 162
Static and Dynamic Properties of a Reversible Gelp. 166
Liquid-glass Transition in Suspensions of Charged Liposomesp. 179
Effective Temperature in Coulomb Glassesp. 182
Influence of Intramolecular Couplings in a Model for Hydrogen-Bonded Liquidsp. 185
Hydrodynamic Description for Ballistic Annihilation Systemsp. 198
Global Fluctuations in Dissipative Systemsp. 201
Boundary-Induced Heterogeneous Absorbing Statesp. 204
Simulation of Large Deviation Functions Using Population Dynamicsp. 212
Exact Computation of Current Cumulants in Small Markovian Systemsp. 220
Simulating Potts Models on Janusp. 225
Nonequilibrium Spin Glass Dynamics with Janusp. 228
Formation of Full Replica Symmetry Breaking as a Critical Phenomenon: RSB-Universality Class of the SK Spin Glass versus KPZ Growthp. 231
Liquid Crystal Phase Behavior of Hard Oblate Spherocylindersp. 234
Novel Symmetries and Clustering Effects in Two-dimensional Anisotropic Fluidsp. 237
Phase Field Simulation of Polycrystalline Grain Growth in Presence of Mobile Second Phase Particlesp. 240
Phase-Separation Transition in Binary Mixtures Near Charged Cylindrical Surfacesp. 243
Spinodal Surface of a Free Energy Model for Eye Lens Protein Mixtures: Relevance for Cataractsp. 246
Simulations of Radiation Induced Fragmentation of <$$$> Fullerenesp. 249
Molecular Dynamics Simulations of Photo-induced Deformations in Azobenzene-containing Polymersp. 253
Computer Simulation of Adsorption in Simple Models of Molecularly Imprinted Polymersp. 256
A Density Functional Theory Based Monte Carlo Study of the Reactivity of Disordered <$$$> (001) Surfacesp. 262
Jammed State of Competitive Sequential Adsorption on a Linep. 267
Influence of Defects on the Velocity Distribution of a Single Particle on a Vibrated Granular Latticep. 268
Conductivity in Coulomb Glasses in the Nonlinear Regimep. 268
Eigen-Closure and Existence of Hydrodynamic Manifoldsp. 269
Analysis of Heat Conductivity in a 2D Hard Disk Systemp. 270
Identifying the Nature of the Irreversible Phase Transition in the Ziff-Gulari-Barshad Model with Impuritiesp. 270
Flow and Transport in Brush Coated Capillariesp. 271
Physical Adsorption in Porous Materials: Molecular Modeling, Theory and Applicationsp. 272
Pore Structure and Conductivity of Sedimentary Rocks: A Simulation in 3-D Using Bidisperse Ballistic Deposition with Relaxationp. 273
Modeling of Cysteine Monolayers on Flat and Stepped Gold Surfacesp. 273
Statistical Analysis of the Formation of Icosahedral Metallic Nanowires under Stretchingp. 274
Complex Fluids with Magnetic Field-dependent Rheology: I. Experimental Studyp. 275
Diffusion of Macromolecules on Lipid Vesiclesp. 276
Nonequilibrium Monte Carlo Estimation of Interfacial Tension in the 2D Ising Modelp. 277
A Study of the Turning Points of a NEMS Shuttle Using TD-SCC-DFTBp. 278
Metastability and Nucleation in the 2D-Potts Ferromagnetp. 278
Spinodal Dewetting of Thin Filmsp. 279
Network Topology and Dynamical Task Performancep. 280
Segregation of Horizontally Vibrated Binary System of Noninteracting Particlesp. 281
Colloidal Heteroaggregation: A Strategy to Prepare Composite Materialsp. 282
Atomic-Scale Modeling of Chemical Vapor Deposition Processes from New Complicated Gas-Phase Mixtures for Micro- and Nanoelectronic Applicationsp. 282
Phase Field Simulation of Grain Growth in Presence of Mobile Second Phase Particles: A Bicrystal Modelp. 283
Comparison of State Diagrams of a Single Flexible and Semiflexible Chains Near the Adsorbing Wall by Means of Monte Carlo Simulationp. 284
Biaxial Nematic and Smectic Phases of Parallel Particles with Different Cross Sectionsp. 285
Memory and Pattern Storage in Neural Networks with Activity Dependent Synapsesp. 286
Scaling Behavior of Domain Walls at the T = 0 Ferromagnet to Spin-Glass Transitionp. 286
Magnetic Nanomaterials Modeling and Design Using Classification Methods: From ANN to SVMp. 287
Theoretical Calculations of Emission of Wolframite and Scheelite-Type Tungstate Crystalsp. 288
Revisiting Dynamic Light Scattering from a Stochastic Point of Viewp. 289
The Microstructure of a Polymer Seen by the Free Volume Cavities: The Geometric Specificity and Environment of the Free Volumep. 290
Electric Permittivity of Dispersions of Core/Shell Particlesp. 291
Complex Fluids with Magnetic Field-Dependent Rheology: II.Computational Studyp. 292
Control of Structure Formation in Phase Separationp. 293
A Fully Periodicalp. 294
Molecular Dynamics of Self-assembled Monolayers of Functionalized Alkanethiols for Protein Adsorptionp. 295
Information Processing in Neural Networks with Dynamic Synapsesp. 295
Interaction between Similarly Charged Surfaces Mediated by Extended Chargesp. 296
List of Participantsp. 299
Author Indexp. 301
Table of Contents provided by Ingram. All Rights Reserved.

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