Computer Simulation Studies in Condensed-Matter Physics XI: Proceedings of the Eleventh Workshop Athens, GA, USA, February 22–27, 1998 PDF
Preview Computer Simulation Studies in Condensed-Matter Physics XI: Proceedings of the Eleventh Workshop Athens, GA, USA, February 22–27, 1998
Spri ger P oceedings .. 84 Springer Berlin Heidelberg New York Barcelona Hong Kong London Milan Paris Singapore Tokyo Springer Proceedings in Physics 48 Many-Atom Interactions in Solids 68 Time-Reso"'ed Vibrational Spectroscopy V Editors: R. M. Nieminen, M. J. Puska, Editor: H.T akahashi and M. J. Manninen 69 Evolution I!r Dynamical Structllres 49 Ultrafast Phenomena in Spectroscopy in Complex Systems Editors: E. Klose and B. Wilhelmi Editors: R. Friedrich' and A. Wunderlin 50 Magnetic Properties of Low-Dimensional Systems 70 CompUlational Approaches II: New Developments in Condensed-Malter Phl'sics Editors: L. M. Falicov, F. Mejia-Lira, Editors: S.Miyashita,M.imada, and H.Takayama and J. L. Monin-L6pez 71 Amorphous and O:l's1Olline Silicon Carbide IV 51 The Physics and Chemistry Editors: C. Y. Yang, M. M. Rahman, of Organic SuperClJnductors and G. L. Harris Editors: G. Saito and S. Kagoshima 72 Computer Simulation Studies 52 Dynamics and Palterns in COmlJlex Fluids: in Condensed-Matter Phl'sics IV New Aspects of the Physics-Chemistry Editors: D. P. Landau, K'. K. Mon, Interface and H.-B. SchUttler Editors: A. Onuki and K. Kawasaki 73 Slirface Science: Principles and Applications 53 Computer Simulation Studies Editors: R. F. Howe, R. N. Lamb, and K. Wandel! 74 Time-Resolved in Condensed-Matter Physics 11/ Editors: D. P. Landau, K. K. Mon, Vibrational Spectroscopy VI and H.-B. SchUttler Editors: A. Lau, F. Siebert, and W. Werncke 54 Polycrystalline Semiconductors /I 75 Computer Simulation Studies Editors: J. H. Werner and H. P. Strunk in Conden!ied-Matter Pln'sics V 55 Nonlinear Dynamics and Quantum Phenomena in Editors: D. P. Landau, K'. K. Mon, and H.-B. SchUttler Optical Systems Editors: R. Vilaseca and R. Corbalan 76 Com/Juter Simulation Studies 56 Aanmdo Orpthhoeur sG arnodu pC IrVys-tIaVl lMinaet eSriliiaclos n Carbide 11/, iEnd Citoornsd: eDn.s ePd. -LMaantdtearu ,P Khl.' sKic. sM VoI n, and H.-B. SchUttler Editors: G. L. Harris, M. G. Spencer, 77 Quantum Optics VI and C. Y. Yang Editors: D. F. Walls and J. D. Harvey 57 Evolutionary Trends in the Physical Sciences Editors: M. Suzuki and R. Kubo 78 Computer Simulation Stlldies 58 New Trends in Nuclear Collective Dynamics in Condensed-Maller Phl'sics VII Editors: Y. Abe, H. Horiuchi, Editors: D. P. Landau, K'. K. Mon, and K. Matsuyanagi and H.-B. SchUttler 59 Exotic Atoms in Condensed Matter 79 Nonlinear Dl'namics and Pattern Formatioll Editors: G. Benedek and H. Schneuwly in Semicond;,ctors and Devices 60 The Phl'sics and Chemistrl' Editor: E-J. Niedernostheide of Oxide Superconductor; 80 Complller Simulation Studies Editors: Y. lye and H. Yasuoka in Condensed-Matler Phl'sics VIII 61 Surface X-Ray and Neutron Scallering Editors: D. P. Landau, K·. K. Mon, Editors: H. Zabel and I. K. Robinson and H.-B. SchUttler 62 Surface Science: Lectures on Basic Concepts 81 Materials and Measurement,\' in Moleclilar and Applications Electronics Editors: F. A. Ponce and M. Cardona Editors: K. Kajimura and S. Kuroda 63 Coherent Raman Spectroscopy: Recent Advances 82 Computer Simlilation SlIIdies Editors: G. Marowsky and V. V. Smirnov in Condensed-Matter Phl'sics IX 64 Superconducling Devices and Their Applications Editors: D.P. Landau, K.' K. Mon, Editors: H. Koch and H. LUbbig and H.-B. SchUttler 65 Present and Future (If High-Energy Physics 83 Computer Simulation Stlldies Editors. K.-I. Aoki and M. Kobayashi in Condensed-Matter Ph"sics X Editors: D. P. Landau, K·. K. Mon, 66 The Structure and Conformation and H.-B. SchUttler of Amphiphilic Membrane." 84 Compllter Simulation Stlldies Editors: R. Lipowsky, D. Richter, and K. Kremer in Condensed-Malter Phl'sics XI 67 Nonlinearity with Disorder Editors: D. P. Landau and Editors: F. Abdullaev, A. R. Bishop, H.-B. SchUttler and S. Pnevmatikos Volumes 1-47 are listed at the end of the book D.P. Landau H.-B. Schuttler (Eds.) Computer Simulation Studies in Condensed Matter Physics XI Proceedings of the Eleventh Workshop Athens, GA, USA, February 22-27, 1998 With 85 Figures Springer Professor David P. Landau, Ph. D. Professor Heinz-Bernd Schuttler, Ph. D. Center for Simulational Physics The University of Georgia Athens, GA 30602, USA Cataloging-in-Publication Data applied for. ISSN 0930-8989 ISBN -13 :978-3-642-64255-5 e-ISBN -13 :978-3-642-60095-1 DOl: 10.1007/978-3-642-60095-1 This work is subject to copyright. All rights are reserved, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations. recitation, broadcasting. reproduction on microfilms or in any other way, and storage in data banks. Duplication of this publication or parts thereof is permitted only under the provisions of the German Copyright Law of September 9, 1965, in its current version, and permission for use must always be obtained from Springer-Verlag. Violations are liable for prosecution under the German Copyright Law. © Springer-Verlag Berlin Heidelberg 1999 Softcover reprint of the hardcover 1st edition 1999 The use of general descriptive names. registered names, trademarks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. Typesetting: Camera ready copy from the authors/editors SPIN: 10698994 54/3142 -5 432 I 0 -Printed on acid-free paper Preface More than a decade ago, because of the phenomenal growth in the power of computer simulations, The University of Georgia formed the first institutional unit devoted to the use of simulations in research and teaching: The Center for Simulational Physics. As the simulations community expanded further, we sensed a need for a meeting place for both experienced simulators and neophytes to discuss new techniques and recent results in an environment which promoted extended discussion. As a consequence, the Center for Simulational Physics established an annual workshop on Recent Developments in Computer Simulation Studies in Condensed Matter Physics. This year's workshop was the eleventh in this series, and the interest shown by the scientific community demonstrates quite clearly the useful purpose which the series has served. The latest workshop was held at The University of Georgia, February 23-27, 1998, and these proceedings provide a "status report" on a number of important topics. This volume is published with the goal of timely dissemination of the material to a wider audience. We wish to offer a special thanks to IBM Corporation for their generous support of this year's workshop. This volume contains both invited papers and contributed presentations on problems in both classical and quantum condensed matter physics. We hope that each reader will benefit from specialized results as well as profit from exposure to new algorithms, methods of analysis, and conceptual developments. Athens, GA, U.S.A. D. P. Landau April 1998 H-B. Schuttler v Contents Computer Simulation Studies in Condensed Matter Physics: An Introduction By D.P. Landau and H.-B. Schuttler ........................................................... I Part I Disorder and Frustrated Systems Equilibrium and Off-Equilibrium Simulations ofChiral-Glass Order in Three-Dimensional Heisenberg Spin Glasses By H. Kawamura and K. Hukushima (With 8 Figures) .. ...... ...................... 7 Ising Spins on 3D Random Lattices By W. Janke and R. Villanova (With 2 Figures) ...................................... 22 Magnetic Properties of the Highly Diluted AI-Fe Disordered System By J. Restrepo, G.A Perez Alcazar, and J.M. Gonzalez (With 3 Figures) ........................................................................................ 27 Monte Carlo Simulations of Frustrated Classical Spin Systems By M. Enjalran, R.T. Scalettar, and S.M. Kauzlarich (With 2 Figures) ........................................................................................ 32 Overlap Barrier Calculations for Spin Glasses By B.A Berg (With 2 Figures) ................................................................. 37 MC Study of the p-state Mean-Field Potts Glass By O. Dillmann, W. Janke, and K. Binder (With 2 Figures) .................... 42 The Random Transverse Field Ising Ferromagnet: The Simplest Disordered Model with a Quantum Phase Transition By AP. Young and C. Pich (With 6 Figures) ........................................... 47 VII Quantum Monte Carlo Study of Random Antiferromagnetic Heisenberg Chain By S. Todo, K. Kato, and H. Takayama (With 2 Figures) ........................ 57 Recent Results from Protein-Folding Simulations in Generalized Ensembles By V.H.E. Hansmann (With 4 Figures) .................................................... 62 Part II Numerical Approaches to Quantum Systems From Finite Temperature Many-Body Perturbation Theory to Series Expansions and Monte Carlo Simulations By N. Elstner, A.W. Sandvik, and R.R.P. Singh (With 7 Figures) .......................................... .......... ..... ................. .............. 71 Stochastic Diagonalization By H. De Raedt and K. Michielsen (With 4 Figures) ............................... 84 Zero-Temperature Phase Transitions in Molecular Solids by Diffusion Monte Carlo By M.H. Muser (With 3 Figures) .............................................................. 96 Part III Thin Film Growth Chemical Diffusion, Wave Propagation, and Equistability in Lattice-Gas Models for Bistable Surface Reactions By J.W. Evans and M. Tammaro (With 4 Figures) ................................ 103 Numerical Surprises in the Kardar-Parisi-Zhang Equation By T.J. Newman ..................................................................................... 118 Part IV Phase Transitions and Critical Phenomena Ising Relaxation Dynamics: Series Expansion and Monte Carlo Simulation By J.-S. Wang (With 2 Figures) ............................................................. 125 Non-equilibrium Relaxation Study of Critical Phenomena By N.lto (With 2 Figures) ..................................................................... 130 VIII Hard Simulation Problems in the Modeling of Magnetic Materials: Parallelization and Langevin Micromagnetics By G. Komiss, G. Brown, M.A. Novotny, and P.A. Rikvold (With 2 Figures) ..................................................................................... 134 Zeros of the Grand Partition Function of the Potts Model in a Magnetic Field By S.-Y. Kim and R.J. Creswick (With 3 Figures)................................. 140 Modeling FMIA FMlFM Trilayers with the 8-state Clock Model By P.D. Scholten and V. Ranjbar (With 3 Figures) ............................... 145 Monte Carlo Study of Oxygen Ordering in YBa Cu 0 2 3 6+x By D. M0nster, P.-A. Lindgard, and N.H. Andersen (With 4 Figures) ..................................................................................... 150 Boundary Conditions and Numbers of Clusters in Percolation Models By C.-K. Hu (With 2 Figures) ................................................................. 155 Magnetic Properties of Finite 3D Ising Systems: a Microcanonical Approach By M. Kastner, M. Promberger, and A. HUller (With 1 Figure) ............ 161 PartV ~ethods Broad Histogram By P.M.C. de Oliveira ............................................................................. 169 Invaded Cluster Algorithms for Equilibrium Critical Points By J. Machta and Y. Choi (With 3 Figures) ........................................... 172 Combinatorial Optimization: Old Results with New Ensembles, New Results with Old Ensembles By J.R. Ray (With 4 Figures) ................................................................. 180 Visualization for Molecular Dynamics of Solids By J. Adler, A. Hashibon, A. Kanigel, I. Rosenblum, and D. Saada .......................................................................................... 186 IX How to Use Multiple CPUs on a Node with Little Effort By G. Bhanot (With 1 Figure) ............................................................... 191 Part VI Polymers and Glasses Atomistic Molecular Dynamics Simulations of the Static and Dynamic Properties of a Polyethylene Melt By W. Paul (With 8 Figures) ................................................................. 197 Spatially-Correlated Dynamics in Glass-Forming Systems: Correlation Functions and Simulations By S.C. Glotzer, C. Donati, and P.H. Poole (With 4 Figures) ............... 212 List of Contributors ........................................................................ 228 x Part I Disorder and Frustrated Systems
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