From microscopic simulations to macroscopic material behavior

Stefan Luding

doi:10.1016/S0010-4655(02)00232-1

From microscopic simulations to macroscopic material behavior

Stefan Luding^*

^*Corresponding author for this work

Research output: Contribution to journal › Conference article › Academic › peer-review

22 Citations (Scopus)

Abstract

One challenge in computational physics is to bridge the gap between microscopic, "atomistic" sizes and the macroscopic length scale of experimental observation. First, an efficient algorithm for hard sphere molecular dynamics is presented, allowing for many-particle simulations of, e.g., granular systems. In the next step, a "micro-macro" transition is introduced which enables continuum quantities like the stress tensor to be accessed. The approach is used for dense and dissipative gases but can also be applied to more complicated systems like membranes.

Original language	English
Pages (from-to)	134-140
Number of pages	7
Journal	Computer physics communications
Volume	147
Issue number	1-2
Early online date	9 Apr 2002
DOIs	https://doi.org/10.1016/S0010-4655(02)00232-1
Publication status	Published - 1 Aug 2002
Externally published	Yes
Event	Europhysics Conference on Computational Physics 2001 - Aachen, Germany Duration: 5 Sep 2001 → 8 Sep 2001

Keywords

Equation of state
Granular matter
Micro-macro transition
Molecular dynamics
Stress tensor

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title = "From microscopic simulations to macroscopic material behavior",

abstract = "One challenge in computational physics is to bridge the gap between microscopic, {"}atomistic{"} sizes and the macroscopic length scale of experimental observation. First, an efficient algorithm for hard sphere molecular dynamics is presented, allowing for many-particle simulations of, e.g., granular systems. In the next step, a {"}micro-macro{"} transition is introduced which enables continuum quantities like the stress tensor to be accessed. The approach is used for dense and dissipative gases but can also be applied to more complicated systems like membranes.",

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AU - Luding, Stefan

PY - 2002/8/1

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N2 - One challenge in computational physics is to bridge the gap between microscopic, "atomistic" sizes and the macroscopic length scale of experimental observation. First, an efficient algorithm for hard sphere molecular dynamics is presented, allowing for many-particle simulations of, e.g., granular systems. In the next step, a "micro-macro" transition is introduced which enables continuum quantities like the stress tensor to be accessed. The approach is used for dense and dissipative gases but can also be applied to more complicated systems like membranes.

AB - One challenge in computational physics is to bridge the gap between microscopic, "atomistic" sizes and the macroscopic length scale of experimental observation. First, an efficient algorithm for hard sphere molecular dynamics is presented, allowing for many-particle simulations of, e.g., granular systems. In the next step, a "micro-macro" transition is introduced which enables continuum quantities like the stress tensor to be accessed. The approach is used for dense and dissipative gases but can also be applied to more complicated systems like membranes.

KW - Equation of state

KW - Granular matter

KW - Micro-macro transition

KW - Molecular dynamics

KW - Stress tensor

U2 - 10.1016/S0010-4655(02)00232-1

DO - 10.1016/S0010-4655(02)00232-1

M3 - Conference article

AN - SCOPUS:0036681927

VL - 147

SP - 134

EP - 140

JO - Computer physics communications

JF - Computer physics communications

SN - 0010-4655

IS - 1-2

T2 - Europhysics Conference on Computational Physics 2001

Y2 - 5 September 2001 through 8 September 2001

ER -