Texts in Computational Science and Engineering

TJ Barth, M Griebel, DE Keyes, RM Nieminen, D Roose - 2007 - Springer
The rapid development of parallel computing systems made it possible to recreate and
predict physical processes on computers. Nowadays, computer simulations complement …

[HTML][HTML] A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges

K Shi, ER Smith, EE Santiso… - The Journal of Chemical …, 2023 - pubs.aip.org
The pressure tensor (equivalent to the negative stress tensor) at both microscopic and
macroscopic levels is fundamental to many aspects of engineering and science, including …

Prediction of water transport properties on an anisotropic wetting surface via deep learning

Y Guo, H Sun, M An, T Mabuchi, Y Zhao, G Li - Nanoscale, 2023 - pubs.rsc.org
Understanding the water flow behavior on an anisotropic wetting surface is of practical
significance in nanofluidic devices for their performance improvement. However, current …

Perception of numerical methods in rarefied gasdynamics

GA Bird - Progress in Astronautics and Aeronautics, 1989 - ui.adsabs.harvard.edu
The relationships between various numerical methods applied to problems in rarefied
gasdynamics are discussed, with emphasis on conflicting viewpoints and computational …

Molecular-dynamics study of Rayleigh-Bénard convection

DC Rapaport - Physical review letters, 1988 - APS
Fully developed convective rolls have been observed in microscopic simulations of a hard-
disk fluid driven by opposed temperature and gravitational fields. Under certain conditions a …

[图书][B] Numerische Simulation in der Moleküldynamik: Numerik, Algorithmen, Parallelisierung, Anwendungen

M Griebel, S Knapek, G Zumbusch, A Caglar - 2013 - books.google.com
Das Buch behandelt Methoden des wissenschaftlichen Rechnens in der Moleküldynamik,
einem Bereich, der in vielen Anwendungen der Chemie, der Biowissenschaften, der …

On the validity of hydrodynamics in plane Poiseuille flows

MM Mansour, F Baras, AL Garcia - Physica A: Statistical Mechanics and its …, 1997 - Elsevier
Microscopic simulations of plane Poiseuille flow for a dilute gas are presented. Although the
flow is laminar (Reynolds number≈ 10) and sub-sonic, the temperature and pressure …

Macro-scale phenomena reproduced in microscopic systems—pseudo-particle modeling of fluidization

W Ge, J Li - Chemical Engineering Science, 2003 - Elsevier
Despite its wide applications, fluidization is not understood enough to satisfy our technical or
academic interests. Cascading simulation approaches on different scales, with small-scale …

IBIsCO: A molecular dynamics simulation package for coarse‐grained simulation

HA Karimi‐Varzaneh, HJ Qian, X Chen… - Journal of …, 2011 - Wiley Online Library
IBIsCO is a parallel molecular dynamics simulation package developed specially for coarse-
grained simulations with numerical potentials derived by the iterative Boltzmann inversion …

Molecular dynamics simulation: a tool for exploration and discovery using simple models

DC Rapaport - Journal of Physics: Condensed Matter, 2014 - iopscience.iop.org
Emergent phenomena share the fascinating property of not being obvious consequences of
the design of the system in which they appear. This characteristic is no less relevant when …