Computer Simulation Studies in Condensed-Matter Physics XIV: Proceedings of the Fourteenth Workshop, Athens, GA, USA, February 19–24, 2001

278 Pages·2002·18.005 MB·English

by  D. P. Landau, S. P. Lewis, H.-B. Schüttler (auth.), Professor David P. Landau Ph.D., Professor Steven P. Lewis Ph.D., Professor Heinz-Bernd Schüttler Ph.D. (eds.)

SPRINGER PROCEEDINGS IN PHYSICS 89
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SPRINGER PROCEEDINGS IN PHYSICS
79 Nonlinear Dynamics and Pattern Formation in Semiconductors and Devices
Editor: F.-J. Niedernostheide
80 Computer Simulation Studies in Condensed-Matter Physics VIII
Editors: D.P. Landau, K.K. Mon, and H.-B. Schuttler
81 Materials and Measurements in Molecular Electronics
Editors: K. Kajimura and S. Kuroda
82 Computer Simulation Studies in Condensed-Matter Physics IX
Editors: D.P. Landau, K.K. Mon, and H.-B. Schuttler
83 Computer Simulation Studiesin Condensed-Matter Physics X
Editors: D.P. Landau, K.K. Mon, and H.-B. Schuttler
84 Computer Simulation Studies in Condensed-Matter Physics XI
Editors: D.P. Landau and H.-B. Schuttler
85 Computer Simulation Studies in Condensed-Matter Physics XII
Editors: D.P. Landau, S.P. Lewis, and H.-B. Schuttler
86 Computer Simulation Studies in Condensed-Matter Physics XIII
Editors: D.P. Landau, S.P. Lewis, and H.-B. Schuttler
87 Proceedings of the 25th International Conference on the Physics of Semiconductors
Editors: N. Miura and T. Ando
88 Starburst Galaxies
Near and Far Editors: L. Tacconi and D. Lutz
89 Computer Simulation Studies in Condensed-Matter Physics XIV
Editors: D.P. Landau, S.P. Lewis, and H.-B. Schuttler
Series homepage - http://www.springer.de/phys/books/ssms/
Volumes 50-78 are listed at the end of the book.
D.P. Landau S.P. Lewis H.-B. Schuttler
(Eds.)
Computer Simulation Studies
in Condensed-Matter Physics
XIV
Proceedings of the Fourteenth Workshop
Athens, GA, USA, February
19-24, 2001
With 115 Figures
Springer
Professor David P. Landau, Ph.D.
Professor Steven P. Lewis, Ph.D.
Professor Heinz-Bernd Schuttler, Ph.D.
Center for Simulational Physics
The University of Georgia
Athens, GA 30602-2451, USA
ISSN 0930-8989
ISBN-13:97S-3-642-63967-S Springer-Verlag Berlin Heidelberg New York
Library of Congress Cataloging-in-Publication Data applied for.
Die Deutsche Bibliothek - CIP-Einheitsaufnahme
Computer simulation studies in condensed-matter physics: proceedings of the ... workshop ... -[1]-. -Berlin;
Heidelberg; New York; Barcelona; Hong Kong; London; Milan; Paris; Tokyo: Springer
(Springer proceedings in physics; ... )
14. Athens, GA, USA, February 19-24, 2001. - 2001
(Springer proceedings in physics; 89)
IS BN·13: 978-3-642-63967 -8 e· ISB N·l3: 978-3-642-59406-9
DOl: 10.1007/978-3-642-59406-9
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Bottom Row 1: Gloria Buendia, Francesca Tavazza, Shan-Ho Tsai, Masuo
Suzuki, Fereydoon Family, David Landau, Steven Lewis, Somnath Pal, Yu
taka Okabe, Kevin Bassler, Wen duo Zhou, Hans Gerd Evertz, Michael Geller
Row 2: KyungwhaPark, Richard Hennig, Dorjsuren Battogtokh, Kurt Binder,
Royce Zia, Dennis Rapaport, Teruyoshi Murakami, Fugao Wang, Steven
Mitchell, Laura Nurminen
Row 3: John Joannopoulos, Bob Swendsen, Burkhard Dunweg, Werner Wolf,
Jerry Amadon, Wolfhard Janke, Hans-Georg Matuttis, John Lees, Erica Smith
Row 4: Zuheir El-bayyari, Jerome Magnin, Ashvin Chhabra, Daniel Valdez
Balderas, Mark Novotny, Mirzo Kholmurodov, Gyorgy Korniss
Top Row 5: Kimmo Kaski, Michael Creutz, James Osborn, Aleksandar Milo
sevic, Joao Plascak, Per Rikvold, Heinz-Bernd Schuttler, Nobuyasu Ito, Antti
Kuronen
Preface
Over the last 30 years, Professor David P. Landau's trailblazing research
achievements and influential leadership have helped establish computer sim
ulation as a powerful and incisive mode of scientific investigation, now on a
par in the physical sciences with experimental and theoretical research. This
year, we were very pleased to organize a special one-day symposium honor
ing the 60th birthday of our distinguished colleague and friend. This event
was held in conjunction with and immediately following the annual computer
simulations workshop that Professor Landau founded 14 years ago. Many of
the papers presented at this honorary symposium are integrated into this pro
ceedings volume, and the accompanying photograph of participants serves to
commemorate this very special event.
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 devel
opments.
Athens, GA, USA S.P. Lewis
May 2001 H.-B. SchUttler
Contents
1 Computer Simulation Studies in Condensed Matter Physics:
An Introduction
D.P. Landau, S.P. Lewis, H.-B. Schuttler ......................... 1
Part I Nonequilibrium and Dynamical Behavior
2 Nonequilibrium Energy Transport in Multiphase System
T. Murakami, S. Yukawa, N. Ito. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7
3 Dynamics of Dislocations in a Two-dimensional System
K. Kaski, A. Kuronen, M. Robles.. ...... .. ..... . ...... .. ......... 12
4 Recent Development in Nonequilibrium Relaxation Method
N. Ito, S. Fukushima, H. Watanabe, Y. Ozeki ...................... 27
5 Dynamic Phase Diagram
for a Periodically Driven Kinetic Ising Ferromagnet:
Finite-size Scaling Evidence
for the Absence of a Tri-critical Point
G. Korniss, P.A. Rikvold, M.A. Novotny.. .. . ....... .... .... .. ..... 34
6 First-Principles Parameter Estimation
for Dynamic Monte Carlo of a Lattice-Gas Model
S.l. Mitchell, S. Wang, P.A. Rikvold, G. Brown. .... .. .. .. .. .. .. ... 40
Part II Clusters, Films, and Interfaces
7 Gold Microclusters (Au n=3-13):
n;
A Molecular Dynamics Computer Simulation
Z. El-Bayyari . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. 47
8 On the Ground State Structure of Adsorbed Monolayers:
Can One Find them by Monte Carlo Simulation?
A. Patrykiejew, S. Sokolowski, K. Binder. . . . . . . . . . . . . . . . . . . . . . . . .. 57
X Contents
9 Simulation of the Early Stages of Growth
on a Patterned Substrate
L. Nurminen, A. Kuronen, K. Kaski . . . . . . . . . . . .. . . . . . . . . . . . . . . . .. 61
10 Ions and Other Solutes at the Ice/Water Interface
E.J. Smith, A.D.J. Haymet ...................................... 66
11 Molecular Dynamics Simulations
of the Droplet Spreading Process for Metallic Phases:
The Low Energy Cluster-Substrate Impacts
K. Kholmurodov, 1. Puzynin, W. Smith, K. Yasuoka, T. Ebisuzaki . . . . .. 70
12 Universal Expression for Blocking Cone Size
in Low Energy Ion Scattering Based on MD Simulations
A. Kutana, 1.L. Bolotin, J. W. Rabalais. . . . . . . . . . . . . . . . . . . . . . . . . . .. 77
Part III Phase Transitions
13 Critical Phenomena at the Surface of Systems
Undergoing a Bulk First Order Transition:
Are They Understood?
K. Binder, F.F. Haas, F. Schmid. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. 85
14 Analysis of the Density of Partition Function Zeroes:
A Measure for Phase Transition Strength
W. Janke, R. Kenna. . . . . . . . . . . . . .. . . .. . . . . . . . . .. . . . . . . . . . . . . ... 97
15 The Spectrum of Eigenvalues
in the Renormalization Group Theory of Phase Transitions
R.H. Swendsen ................................................. 102
Part IV New Methods and Approaches
16 Methods for Computing Density of States
for Statistical Mechanical Models
J.-S. Wang ..................................................... 113
17 New Cluster Method for the Ising Model
H. G. Evertz, H.M. Erkinger, W. von der Linden .................... 123
18 Low Temperature Dynamic Monte Carlo Simulations
with a Phonon Heat Bath
for Square-Lattice Ising Ferromagnets
K. Park, M.A. Novotny .......................................... 134
Contents XI
19 Applications
of the Probability-Changing Cluster Algorithm
and Related Problems
y. Okabe, Y. Tomita, C. yamaguchi .............................. 140
20 Exponential Product Computing-Scheme
for Time-Dependent Interactions
Including the Kohn-Sham Hamiltonian
M. Suzuki .. .................................................... 154
21 Visualization and Real-Time Collaboration
over Internet-2
J. Adler, A. Hashibon, G. Wagner ................................ 160
Part V Quantum Systems / Electronic Structure
22 Chiral Symmetry Versus the Lattice
M. Creutz...................................................... 169
23 The Stochastic Series Expansion Method
for Quantum Lattice Models
A. W. Sandvik .................................................. 182
24 Superconductivity with a Meron-Cluster Algorithm
J. C. Osborn .................................................... 188
25 Advances in the Investigation of the Minus Sign Problem
for the Fermionic Case
H.-G. Matuttis, N. Ito ........................................... 194
26 New Variational States for t - J Ladders
J. Amadon, S.R. White .......................................... 200
27 Ab-initio Study of the Ground-State Phase Diagram
of the Icosahedral Ti-Zr-Ni Quasicrystal
R.G. Hennig, K.F. Kelton, C.L. Henley ............................ 204
28 Geometric Theory of Stress Fields for Quantum Systems
at Finite Temperature
C.L. Rogers, A.M. Rappe ........................................ 209
XII Contents
Part VI Polymers and Complex Systems
29 Phase Behavior of Binary Polymer Blends in Thin Films
M. Muller ..................................................... 217
30 Statistics of an Age Structured Population
with Two Competing Species:
Analytic and Monte Carlo Studies
R.K.P. Zia, R.J. Astalos .. ....................................... 235
31 Including Hydrodynamic Interactions
in Acicular Models of Magnetic Colloids
R. Kutteh, P.B. Visscher ........................................ 255
32 Simulation of the Dynamics of Polymers in Solution
via a Hybrid Molecular Dynamics-Lattice Boltzmann Scheme
B. Dunweg, P. Ahlrichs, R. Everaers .............................. 260
33 Frustrated Spring-Network Model
for Crosslinked Polymer Surfaces
C.M. Buendia, S.J. Mitchell, P.A. Rikvold ......................... 265
34 The Wonderful World of Granular Ratchets
D. c. Rapaport .................................................. 270
List of Contributors .......................................... 275