Table of Contents
Preface
Overview of ICCP6-CCP2003
Part 1. Plenary Lectures
*Protein Folding as Studied in Generalized-ensemble
Simulations of All-atom Protein Models
Nelson A. ALVES, Vasyl ALEKSENKO, Wooseop KWAK, and
Ulrich H.E. HANSMANN
*Stochasticity Defined Evolution in Dynamical Systems
and Complex Networks
Ping AO
*Large Scale Electronic Structure Calculations: Fracture
and Surface Reconstruction of Silicon
T. FUJIWARA, T. HOSHI, R. TAKAYAMA, and Y. IGUCHI
*A Dimension Split Method for the Linear and Nonlinear
Shell Theory
Kai-Tai LI and Ai-Xiang HUANG
*First-Principle Study and Design of Half-Metallic
Ferromagnets Compatible with Semiconductors
Bang-Gui LIU
*Phase Transitions in a Model of Cooperative Behavior in
the Brain
J. MARRO
*High Performance Computers – a Status Report
Aad J. van der STEEN
*Flat Histogram Monte Carlo for Low Temperature
Simulations
Lei-Han TANG
*Nonlinear Evolution of the Ablative Rayleigh-Taylor
Instability
Wen-Hua YE and Xian-Tu HE
*Models and Numerical Simulations of
Atmosphere-Vegetation-Soil Interactions and Ecosystem Dynamics
Qing-Cun ZENG, Xiao-Dong ZENG, Ai-Hui WANG, Robert E.
DICKINSON, Xu-Bin ZENG, and Samuel S.P. SHEN
Part 2. Materials
Science, Molecular Dynamics, etc.
*Face and Temperature-Dependent Surface Segregation in
Pt25Rh75 Alloy
Hui-Qiu DENG, Wang-Yu HU, Xiao-Lin SHU, and Bang-Wei ZHANG
*Simulation of Local Microstructure of Amorphous Alloys
CoxB100-x
Nguyen Van
HONG, Pham Khac HUNG, Do Minh NGHIEP, and
Hoang Van HUE
*Effects of O2 Adsorption on the Electronic
and Optical Properties of Single-Walled Carbon Nanotubes
H.F. HU, J.W. LIANG, L.F. ZHANG, J.W. WEI, and P. PENG
*Computer Simulation of Diffusion in Amorphous Solid
Pham Khac HUNG, Pham Ngoc NGUYEN, Hoang Van HUE, and Nguyen Van HONG
*Molecular Dynamics Modelling of Lifetime and Decay of
Metastable Crystals under Superheating or Stretching
A.Yu. KUKSIN, G.E. NORMAN, and V.V. STEGAILOV
*A New Method for Eigenvalues of the Schrödinger
Equation
Xue-Shen LIU and Pei-Zhu DING
*Molecular Dynamics Study of Local Structure of
Amorphous and Liquid Alumina
Nguyen Thu NHAN, Pham Khac HUNG, Do Minh NGHIEP, and Tran Quoc THANG
*Angular Focusing in Coupled Quantum Rotors
Hiroyuki SHIMA and Tsuneyoshi NAKAYAMA
*Dipolar Interaction between Oxygen Impurities in
Germanium
Hiroyuki SHIMA and Tsuneyoshi NAKAYAMA
*Carbon Interstitials in Iron: Molecular Dynamics Study
Xiao-Lin SHU, Chang-Yu WANG, and Dong-Liang ZHAO
*Improving the Performance of a Simulator of Nanoscale
Measurements of Material Properties
Ying-Wen SONG and Satoshi WATANABE
*Combined Multi-Range Interpolated Potential for MD
Simulations
Ilya VALUEV
*Analytical Model for the DC I-V Characteristics of
N-Channel 4H-SiC MOSFET Based on Surface Potential
Ping WANG, Yin-Tang YANG, Yan YANG, and Yue-Jin LI
*Numerical Solution of Three-wave Soliton Excitations in
Bose-Einstein Condensation
Feng-Min WU, You-Sheng XU, and Guo-Xiang HUANG
*Static Equation of State and Elastic Constants for GaSe
Calculated by APW+lo Method
Dong-Wen ZHANG and Jian-Min YUAN
*Magic Numbers of Nickel Clusters Studied within MAEAM
and Compared with Experiments
Zhi ZHANG and Wang-Yu HU
*Nematic Liquid Crystal Film Composed of Finite
Molecular Layers Based upon Spatially Anisotropic Pair Potential
Zhi-Dong ZHANG, Jing LI, and Yan-Jun ZHANG
*Structural and Electronic Properties of Poly-para-phenylene
G. ZHENG, S. J. CLARK, S. BRAND, and R. A. ABRAM
Part 3. Fluids Dynamics,
Computational Methods, etc.
*Forced Oscillator Method and Its Applications
Kousuke YAKUBO
*Numerical Simulation of Oil Resources
Migration-Accumulation of Fluid Mechanics in Porous Media
Yi-Rang YUAN
*Numerical Investigation of the Stability of Flows
Induced by a Surface Acoustic Wave along a Slab
A. Kwang-Hua CHU
*Numerical Method and Analysis for Single-phase
Incompressible Flow in Naturally Fractured Reservoirs
Ming CUI
*The Boundary Element Analysis for the Thermal
Conduction of the Thermal Equipment
Ti-Gui FAN, De-Quan YANG, and Chun-Hong ZHOU
*A Mesh Optimization Strategy for ALE Codes
Xu-Deng
HANG and Guang-Wei YUAN
*Theoretical Analysis and Numerical Simulations of a
Class of Two-dimensional Moisture Transferring Model
Cheng-Shun JIANG, Hui TU, and Chao LIU
*The Elimination of Unknowns with Differential
Quadrature Method for the Stokes Equations
Chen LI and Xiong-Hua WU
*A High Resolution Finite Volume Method on Unstructured
Meshes
Song-He SONG and Cui LIU
*Two-dimensional Numerical Simulation of the
Shock-accelerated Multi-components Flow
Wei-Jun
TANG and Chen-Xing WANG
*Dynamics and Numerical Simulations of Hydrological
Vegetation-soil Interactions
Ai-Hui
WANG, Xiao-Dong ZENG, Xu-Bin ZENG, Samuel S.P. SHEN, and Qing-Cun ZENG
*A Mixed Element Type Unstructured Grid Method for
Simulating 3D Turbulent Flows
Gang WANG and Zheng-Yin YE
*SPH Method and Its Application to Simulate
Hyper-velocity Impact Phenomena
Ji WANG, Xiao-Jun WANG, Gang-Ming ZHANG, and Xiu-Zhang
HU
*The Simulation of Thermal Shock Wave Induced by High
Intense Particle Beams in Aluminum
Tong-Quan
WANG, Ruo-Qi ZHANG, Wen-Hui TANG, and
Shang-Wu WANG
*Nonlinear Wave Equations Arising in Modelling of Some
Strain-Hardening Structures
Dong-Ming
WEI
*Numerical Analysis of Hydrodynamics of Floating-Ring
Bearing
De-Quan
YANG, Shu-Hui LV, and Guo-You ZHANG
*Boundary Element Analysis on Flow Problem around
Cascades with Small Angle of Attack
De-Quan
YANG, Peng-Ling XING, Yan-Yan BA, and Ti-Gui FAN
*Numerical Simulations of a Moving Boundary Problem in
Soil Hydrological Processes
Hong-Wei
YANG, Zheng-Hui XIE, Qing-Cun ZENG
*Numerical Modeling and Temperature Data Assimilation
for the China Seas and Adjacent Areas
Xiao-Bao
YOU, Rong-Feng LI, Guang-Qing ZHOU, and Jiang ZHU
*The Nonconforming Wilson Element for Nonlinear
Parabolic Equations and Its
Multigrid Method
Xi-Jun YU and Qing-Fang DAI
*Adaptive Coordinate Transformation Methods for 2D Euler
Equation
Guang-Wei YUAN, Long-Jun SHEN, and Zhi-Jun SHEN
*A Three-Variable Ecosystem Model and Its Numerical
Simulations
Xiao-Dong ZENG, Samuel S.P. SHEN, Xu-Bin
ZENG, and Qing-Cun ZENG
*Efficient Predictions of Hypersonic and Supersonic
Flutter
Wei-Wei
ZHANG, Zheng-Yin YE, Ze-Wen FAN, and Bin-Yuan YANG
*3D Wave Equation Prestack Depth Migration Based on
Wavefield Synthesizing
Wen-Sheng ZHANG
Part 4.
Parallel Computation, Plasma Physics, etc.
*HPC Computational
Frameworks
Aad J. van der STEEN
*Spherical Harmonics Method for the Neutron Transport
Equation Based on Unstructured-Meshes
Liang-Zhi CAO, Hong-Chun WU, and Xi-Jun YU
*Large Scale and Non-Uniform Simulation of Parallel
Molecular Dynamics
Xiao-Lin
CAO, Ze-Yao MO, and Jing-Lin ZHANG
*Numerically Simulating Stochastic Generalized Nonlinear
Schrödinger Equations: Robust Algorithm
Shi-Hua CHEN, Hui-Ping LIU, and Lin YI
*An Improved Conjugate Residual Algorithm for Large
Symmetric Linear Systems
Li-Hua CHI, Jie LIU, Xing-Ping LIU,
Qing-Feng HU, and Xiao-Mei LIU
*“Snap-back Point” Study of PWM Micro-accelerometer
Jian-Yuan
JIA and Wen-Chao TIAN
*A Detailed Term Accounting Model for the Opacity
Calculation of Hot Dense Sodium Fluoride Plasma
Feng-Tao JIN and Jian-Min YUAN
*Scalable Parallel Smith-Waterman Algorithms
Yu-Gang LI and Zhi-Yong LIU
**Parallel Computing for the 2-dimension Energy
Equations with Three Temperatures
Jie LIU, Li-Hua CHI, Qing-Feng HU, Ze-Yao MO, and
Xiao-Mei LI
*Molecular Dynamics Modeling and Simulation of
Equilibrium and Strongly Nonequilibrium Strongly Coupled Plasmas
Igor MOROZOV and Genri NORMAN
*Calculation and Revision of the Hamaker Theory
Wen-Chao TIAN and Jian-Yuan JIA
*Revision of the Micro Continuance Medium Theory Gap
among Atoms
Wen-Chao TIAN, Xia-Fang LIU, and Jian-Yuan JIA
*A Parallel Method to Incomplete Factorizations of Block
Tridiagonal Matrices
Jian-Ping
WU, Xiao-Mei LI, and Zheng-Hua WANG
*A New Stochastic Projection Method for the
Bose-Einstein Condensation
You-Sheng XU, Guo-Xiang HUANG, and Feng-Min
WU
*Calculate the Feature Parameter of TEM Imaging to
Subsurface
Guo-Qiang
XUE, Jian-Ping SONG, Xiu LI, and Wen-Bo GUO
*A 3-D Planning System for Tumour Radiation Treatment
Ping-Li YANG, Si-Qing XIAN, and Hua-Min QU
*The Parallel Iterative Difference Schemes Based on
Interface Correction for Parabolic Equations
Guang-Wei
YUAN and Xu-Deng HANG
*Two-Dimensional Model of Evolution in the DC Arc Plasma
Generator
Shu
ZHENG, Yue LIU, and Ye GONG
*Scaling of Message Diffusion in Directed Dynamical
Small-world Networks with Random Responses
Chen-Ping ZHU, Shi-Jie XIONG, Yin-Jie TIAN, Nan LI, and Ke-Sheng
JIANG
*Configuration of 2D Finite Clusters in Plasmas Sheath
Xiu
ZOU, Jin-Yuan LIU, Ye GONG, Yue LIU, and Xiao-Gang WANG
Author Index
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