A computer program for molecular dynamics of dilute gases

Amnon Aharony

doi:10.1016/0021-9991(72)90071-X

A computer program for molecular dynamics of dilute gases

Amnon Aharony^*

^*Corresponding author for this work

School of Physics and Astronomy

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

A general flexible program for computer experiments with dilute gases approaching equilibrium is described. The program uses the Alder-Wainwright algorithm between collisions, and solves the Newton equations for binary and multiple collisions, making use of the conservation laws in the binary case. The program may be used for both central and noncentral interactions, and time-irreversible or multiple-particle interactions can simply be added. Examples of results, for 100 particles in a 2-dimensional box and for 125 particles in a 3-dimensional box, are described, and the time symmetry of the calculation is checked and discussed.

Original language	English
Pages (from-to)	341-353
Number of pages	13
Journal	Journal of Computational Physics
Volume	10
Issue number	2
DOIs	https://doi.org/10.1016/0021-9991(72)90071-X
State	Published - Oct 1972

Access to Document

10.1016/0021-9991(72)90071-X

Cite this

@article{2e679197518849f0806c5504a6ad5c5a,

title = "A computer program for molecular dynamics of dilute gases",

abstract = "A general flexible program for computer experiments with dilute gases approaching equilibrium is described. The program uses the Alder-Wainwright algorithm between collisions, and solves the Newton equations for binary and multiple collisions, making use of the conservation laws in the binary case. The program may be used for both central and noncentral interactions, and time-irreversible or multiple-particle interactions can simply be added. Examples of results, for 100 particles in a 2-dimensional box and for 125 particles in a 3-dimensional box, are described, and the time symmetry of the calculation is checked and discussed.",

author = "Amnon Aharony",

year = "1972",

month = oct,

doi = "10.1016/0021-9991(72)90071-X",

language = "אנגלית",

volume = "10",

pages = "341--353",

journal = "Journal of Computational Physics",

issn = "0021-9991",

publisher = "Academic Press Inc.",

number = "2",

}

TY - JOUR

T1 - A computer program for molecular dynamics of dilute gases

AU - Aharony, Amnon

PY - 1972/10

Y1 - 1972/10

N2 - A general flexible program for computer experiments with dilute gases approaching equilibrium is described. The program uses the Alder-Wainwright algorithm between collisions, and solves the Newton equations for binary and multiple collisions, making use of the conservation laws in the binary case. The program may be used for both central and noncentral interactions, and time-irreversible or multiple-particle interactions can simply be added. Examples of results, for 100 particles in a 2-dimensional box and for 125 particles in a 3-dimensional box, are described, and the time symmetry of the calculation is checked and discussed.

AB - A general flexible program for computer experiments with dilute gases approaching equilibrium is described. The program uses the Alder-Wainwright algorithm between collisions, and solves the Newton equations for binary and multiple collisions, making use of the conservation laws in the binary case. The program may be used for both central and noncentral interactions, and time-irreversible or multiple-particle interactions can simply be added. Examples of results, for 100 particles in a 2-dimensional box and for 125 particles in a 3-dimensional box, are described, and the time symmetry of the calculation is checked and discussed.

UR - https://www.scopus.com/pages/publications/49649136990

U2 - 10.1016/0021-9991(72)90071-X

DO - 10.1016/0021-9991(72)90071-X

M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???

AN - SCOPUS:49649136990

SN - 0021-9991

VL - 10

SP - 341

EP - 353

JO - Journal of Computational Physics

JF - Journal of Computational Physics

IS - 2

ER -

A computer program for molecular dynamics of dilute gases

Abstract

Access to Document

Other files and links

Fingerprint

Cite this