75 Springer Proceedings in Physics Managing Editor: H. K. V. Lotsch 46 Cellular Automata and Modeling 62 Surface Science: Lectures on Basic Concepts of Complex Physical Systems and Applications Editors: P. Manneville, N. Boccara, Editors: F. A. Ponce and M. Cardona G. Y. Vichniac, and R. Bidaux 63 Coherent Raman Spectroscopy: Recent Advances 47 Number Theory and Physics Editors: G. Marowsky and V. V. Smirnov Editors: J.-M. Luck, P. Moussa, and M. Waldschmidt 64 Superconducting Devices and Their Applications Editors: H. Koch and H. Lubbig 48 Many-Atom Interactions in Solids Editors: R. M. Nieminen, M. J. Puska, 65 Present and Future of High-Energy Physics and M. J. Manninen Editors. K.-I. Aoki and M. Kobayashi 49 Ultrafast Phenomena in Spectroscopy 66 The Structure and Conformation Editors: E. Klose and B. Wilhelmi of Amphiphilic Membranes Editors: R. Lipowsky, D. Richter, and K. Kremer 50 Magnetic Properties of Low-Dimensional Systems II: New Developments 67 Nonlinearity with Disorder Editors: L. M. Falicov, F. Mejia-Lira, Editors: F. Abdullaev, A. R. Bishop, and J. L. Monin-L6pez and S. Pnevmatikos 51 The Physics and Chemistry 68 Time-Resolved Vibrational Spectroscopy V of Organic Superconductors Editor: H. Takahashi Editors: G. Saito and S. Kagoshima 69 Evolution of Dynamical Structures 52 Dynamics and Patterns in Complex Fluids: in Complex Systems New Aspects of the Physics-Chemistry Editors: R. Friedrich and A. Wunderlin Interface 70 Computational Approaches Editors: A. Onuki and K. Kawasaki in Condensed-Matter Physics 53 Computer Simulation Studies Editors: S. Miyashita, M. Imada, in Condensed-Matter Phvsics III and H. Takayama Editors: D. P. Landau, K. K. Mon, 71 Amorphous and Crystalline Silicon Carbide fV and H.-B. Schuttler Editors: C. Y. Yang, M. M. Rahman, 54 Polycrystalline Semiconductors II and G. L. Harris Editors: J. H. Werner and H. P. Strunk 72 Computer Simulation Studies in Condensed-Matter Physics fV 55 Nonlinear Dynamics and Quantum Phenomena in Optical Systems Editors: D. P. Landau, K. K. Mon, Editors: R. Vilaseca and R. Corbahin and H.-B. Schuttler 56 Amorphous and Crystalline Silicon Carbide Ilf, 73 Surface Science Principles and Applications and Other Group IV-fV Materials Editors: R. F. Howe, R. N. Lamb, K. Wandelt Editors: G. L. Harris, M. G. Spencer, 74 Excitations in Superlattices and C. Y. Yang and Multi-Quantum Wells 57 Evolutionary Trends in the Physical Sciences Editors: M. G. Colt am and M. Singh Editors: M. Suzuki and R. Kubo 75 Computer Simulation Studies 58 New Trends in Nuclear Collective Dynamics in Condensed-Matter Pih Ysics V Editors: Y. Abe, H. Horiuchi, Editors: D. P. Landau, K. Mon, and K. Matsuyanagi and H.-B. Schuttler 59 Exotic Atoms in Condensed Matter Editors: G. Benedek and H. Schneuwly 60 The Physics and Chemistry of Oxide Superconductors Editors: Y. lye and H. Yasuoka 61 Surface X-Ray and Neutron Scattering Editors: H. Zabel and 1. K. Robinson Volumes 1-45 are listed on the back inside cover D. P. Landau K. K. Mon H.-B. Schuttler (Eds.) Computer Simulation Studies in Condensed Matter Physics V Proceedings of the Fifth Workshop Athens, GA, USA, February 17-21, 1992 With 79 Figures Springer-Verlag Berlin Heidelberg New York London Paris Tokyo Hong Kong Barcelona Budapest Professor David P. Landau, Ph. D. Professor K. K. Mon, Ph. D. Professor Heinz-Bernd Schuttler, Ph. D. Center for Simulation Physics The University of Georgia Athens, GA 30602, USA ISBN-13: 978-3-642-78085-1 e-ISBN-13: 978-3-642-78083-7 DOl: 10.1007/978-3-642-78083-7 Library of Congress Cataloging-in-Publication Data. Computer simulation studies in condensed-matter physics V : proceedings of the fifth workshop, Athens, GA, USA, February 17-21, 19921 D.P. Landau, K.K. Mon, H.-B. Schlittler, eds. p. cm. - (Springer proceedings in physics; v. 75) Includes bibliographical references and index. l. Condensed matter-Computer simulation-Congresses. I. Landau, David P. II. Mon, K. K. (Kin K.), 1950- III. Schlittler, Heinz-Bernd, 1956- . QCI73.4.C65C654 1993 530.4'1'0113- dcZO 93-18578 CIP 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, broadcast ing, 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 1993 Softcover reprint of the hardcover I st edition 1993 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. 54/3140 -5 4 3 2 I 0 -Printed on acid-free paper Preface As the role of computer simulations began to increase in importance, we sensed a need for a "meeting place" for both experienced simulators and neophytes to discuss new techniques and results in an evironment which promotes extended discussion. As a consequence of these concerns, 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 fifth in this series and the interest which the scientific community has shown demonstrates quite clearly the useful purpose which the series has served. The workshop was held at the University of Georgia, February 17-21, 1992, and these proceedings form a record of the workshop which is published with the goal of timely dissemination of the papers to a wider audience. The proceedings are divided into four parts. The first part contains invited papers which deal with simulational studies of classical systems and includes an introduction to some new simulation techniques and special purpose computers as well. A separate section of the proceedings is devoted to invited papers on quantum systems including new results for strongly correlated electron and quan tum spin models. The third section is comprised of a single, invited description of a newly developed software shell designed for running parallel programs. The contributed presentations comprise the final chapter. We hope that readers will benefit from papers in their own speciality as well as profit from exposure to new algorithms, methods of analysis, and conceptual developments. We have already learned that fruitful collaborations and new re search projects have resulted from these gatherings at the University of Georgia and we hope that these proceedings will further expand this tendency. This year's workshop was made possible through the generous support of the Center for Simulational Physics, the University Computing and Networking Services, and the Vice President for Research at the University of Georgia. Athens, GA D.P. Landau July, 1992 K.K. A,Jon H.-B. Schuttler v Contents Computer Simulation Studies in Condensed-Matter Physics: An Introduction By D.P. Landau, K.K. Mon, and H.-B. Schuttler ..... . . . . . . . . . . . . 1 Part I Classical Systems Application of Finite-Size Scaling to Phase Transitions and Localization-Delocalization Transitions By Y. Okabe, M. Kikuchi, and K. Niizeki (With 10 Figures) 5 Generically Singular Correlations in a Non-Equilibrium Steady-State System By R.K.P. Zia, K. Hwang, K.-t. Leung, and B. Schmittmann (With 2 Figures) ..... . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. 18 The Gauge Glass Transition By J.D. Reger (With 9 Figures) ............................ 31 Sandpile Models: Why We Study Them, What Have We Learned? By A.B. Chhabra (With 5 Figures) .......................... 44 Part II Quantum Systems Quantum Monte-Carlo Simulations for Disordered Bose Systems By N. Trivedi (With 8 Figures) ............................ 61 Dynamics of Two-Dimensional Quantum Spin Systems By M. Makivic and M. Jarrell (With 8 Figures) ................. 80 Pseudopotential Quantum Monte Carlo for Large-Z Atom Systems By L. Milas (With 1 Figure) .............................. 94 Part III New Environments for Scientific Computing On the Effectiveness of Cluster Environments for Scientific Computing By V.S. Sunderam (With 3 Figures) ......................... 109 VII Part IV Contributed Papers Layer-by-Layer Film Growth in the Absence of Surface Diffusion By Z. Jiang, H.G.E. Hentschel, and C. Ebner (With 2 Figures) ....... 135 From 2 to 3 Dimensions - Crossover in the XY Model By W. Janke and K. Nather (With 2 Figures) ................... 140 Multimagnetical Simulations By U. Hansmann, B.A. Berg, and T. Neuhaus (With 4 Figures) 145 The 2d/3D Classical Heisenberg Ferromagnet By R.G. Brown and M. Ciftan (With 3 Figures) ................. 150 Monte-Carlo Simulations in Adiabatic Ensembles By J.R. Ray and P.J. Fay (With 5 Figures) ..................... 155 Dynamics of Acoustic Phonon Decay: Experiment and Simulation By X.-J. Wang, W.M. Dennis, and W.M. Yen (With 3 Figures) ....... 162 Roll Pattern Evolution in Molecular Dynamics Studies of Convection By D.C. Rapaport (With 4 Figures) .......................... 168 Interface Growth with Quenched Randomness By J.G. Amar and F. Family (With 3 Figures) .................. 176 Mode-Coupling Theory and Simulations of a Running Sandpile Model By P.-M. Lam and F. Family (With 4 Figures) .................. 183 Computer Simulations of Optical Dephasing of Paragmagnetic Ions By R.S. Meltzer and D.P. Landau (With 3 Figures) ............... 191 Index of Contributors. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. 197 VIII Computer Simulation Studies in Condensed-Matter Physics: An Introduction D.P. Landau, K.K. Mon, and H.-B. Schuttler Center for Simulational Physics, The University of Georgia, Athens, GA 30602, USA This year's workshop includes presentations which span a broad range of topics and which demonstrate just how rapidly the field of computer simulations in condensed matter physics is developing. These proceedings are divided into four parts, the first three of which contain the invited presentations. The invited talks include rather long papers which have some pedagogical content, and at the end of this volume we present a few shorter, contributed papers which present very recent research results. To open the volume, Okabe et al. present the results of Monte Carlo simulations for the antiferromagnetic 3-state Potts model in three dimensions. Finite size scaling methods are used to examine the critical behavior. They also present data for an Ising model on the three dimensional icosahedral quasilattice, also applying finite size scaling methods. Two papers in this section explore the fascinating area of non-equilibrium transitions. In the first of these, Zia et al. present an unusual new study which examines an Ising model driven far from equilibrium by the application of an external "electric" field. They find novel new behavior including singular correlation functions which persist at all temperatures away from criticality. Reger then describes detailed Monte Carlo simulations of a simple model which has all the ingredients for disordered type-II superconductivity. He finds finite temperature gauge glass transitions in both three and four dimensions. In a second paper on non-equilibrium phenomena, Chhabra reviews work carried to explore self-organized criticality in deceptively simple sandpile models. Simple models for the deposition of grains of sand on a flat surface are simulated in which different rules are used to determine whether or not grains move after they are deposited. Results are discussed in the context of current theory and experiments. The second section of these proceedings consists of three invited presentations on quantum systems. Trivedi uses path integral Monte Carlo methods to study interacting bosons in a random potential as a model for 4He adsorbed in porous media, superconductor-insulator transitions in disordered films, and vortices in disordered type II superconductors. Makivic then describes a study combining Monte Carlo simulations and analysis using the maximum entropy method to study dynamical properties of quantum spin systems. Preliminary results are presented for the (non-frustrated) Heisenberg anti ferromagnet and the XY model in two dimensions. Milas introduces pseudopotential quantum Monte Carlo methods for the study of electronic structure of systems with heavy ions. He compares results obtain by this method with those produced by other methods; the agreement with experimental data is quite good. Important developments in high performance computing are presented in the thrid section in which a single paper by Sunderarn focuses on a form of concurrent processing using loosely connected collections of processors. He describes a series of software tools and then reviews the results of several different kinds of calculations using methods which are important in physics. This paper is extremely important for those who wish to enter the world of (heterogeneous) distributed, high performance computing. The fourth, and final, portion of these proceedings contains a series of contributed papers. In the first paper, Jiang et al. present Monte Carlo simulations of a solid-on-solid growth model in the absence of surface diffusion. Janke and Nather then present cluster-flip l\'Ionte Carlo simulations of thin films of the Villain form of Springer Proceedings in Physics. Vol. 7S Computer Simulation Studies In Condemed.Matter Physics V Eds.: D.P. Landau. K.K. MOIl, and H.-B. SchUttler © Springer-Verlag Berlin Heidelberg 1993 the XY-model to study dimensional crossover. Hansmann et al. present a new multi canonical Monte Carlo algorithm which offers dramatic improvements for the study offield driven first order transitions. Brown and Ciftan present a study of finite size effects in IVlonte Carlo simulations of a classical Heisenberg model in two dimensions. Ray and Fay discuss extensions of Monte Carlo simulations to allow them to be used in any of the adiabatic ensembles. In a novel, new study Wang et al. compare the results of simulations and experiment in the study of acoustic phonon decay in far infrared experiments. In the following paper, Rapaport uses molecular dynamics simulations of hard disks to study complex flows: beautiful pictures of the development of the Raleigh-Benard instability demonstrate the importance of scientific visualization. Amar and Family present the results of a study of interface growth in a restricted solid-on-solid model with different distributions of quenched randomness. Lam and Family then describe a simulation of the Running Sandpile model and compare their results with the predictions of mode-mode coupling. The last contributed paper, by Meltzer and Landau, shows another new application of simulations, in this case to the optical dephasing of YLiF 4:Er3+ 2 Part I Classical Systems