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Evaluation of pressure tensor in constant-volume simulations of hard and soft convex bodies
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Allen, Michael P.. (2006) Evaluation of pressure tensor in constant-volume simulations of hard and soft convex bodies. JOURNAL OF CHEMICAL PHYSICS, 124 (21). -. ISSN 0021-9606
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Official URL: http://dx.doi.org/10.1063/1.2202352
Abstract
A method for calculating the pressure tensor in constant-volume Monte Carlo simulations of convex bodies is presented. In contrast to other approaches, the method requires only an isotropic scaling of the simulation box and the counting of simple geometric quantities characterizing overlapping pairs. Nonsphericity presents no special difficulties. The result is expressed as a sum of pairwise contributions and can therefore be used to compute pressure tensor profiles in a conventional way. (c) 2006 American Institute of Physics.
| Item Type: | Journal Article |
|---|---|
| Subjects: | Q Science > QC Physics |
| Journal or Publication Title: | JOURNAL OF CHEMICAL PHYSICS |
| Publisher: | AMER INST PHYSICS |
| ISSN: | 0021-9606 |
| Date: | 7 June 2006 |
| Volume: | 124 |
| Number: | 21 |
| Number of Pages: | 4 |
| Page Range: | - |
| Identification Number: | 10.1063/1.2202352 |
| Publication Status: | Published |
| URI: | http://wrap.warwick.ac.uk/id/eprint/33337 |
Data sourced from Thomson Reuters' Web of Knowledge
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