Choosing models for solids

Authors
Citation
P. Deak, Choosing models for solids, PHYS ST S-B, 217(1), 2000, pp. 9-21
Citations number
38
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICA STATUS SOLIDI B-BASIC RESEARCH
ISSN journal
03701972 → ACNP
Volume
217
Issue
1
Year of publication
2000
Pages
9 - 21
Database
ISI
SICI code
0370-1972(200001)217:1<9:CMFS>2.0.ZU;2-I
Abstract
The atomistic simulation of properties and phenomena in solid materials req uires a suitable model of the real system with a number of atoms which is s till manageable at the chosen level of approximation. Since typical solids consist of atoms in the order of 10(23), only a very small fraction of them can be treated explicitly. The effect of the rest on the explicitly treate d part has to be taken into account somehow. This paper attempts to categor ize and explain the various tricks applied in modeling solids, showing thei r strength and weakness.