Volume 36 Issue 3
Aug.  2006
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INTERATOMIC POTENTIALS FOR COMPUTER[J]. Advances in Mechanics, 2006, 36(3): 321-343. doi: 10.6052/1000-0992-2006-3-J2005-064
Citation: INTERATOMIC POTENTIALS FOR COMPUTER[J]. Advances in Mechanics, 2006, 36(3): 321-343. doi: 10.6052/1000-0992-2006-3-J2005-064

INTERATOMIC POTENTIALS FOR COMPUTER

doi: 10.6052/1000-0992-2006-3-J2005-064
  • Publish Date: 2006-08-25
  • The interatomic potentials are very important in the computer simulationof condensed matters, especially for their properties and evolutionprocesses based on molecular dynamics andMonte Carlo method. The choice of interatomic potentials affects the resultsgreatly, which depends on the types ofinteraction, e.g. covalent bond, ionic bond, metallic interaction andVan der Waals force. Different potentials can be constructed accordingto the different interactions. For different types of phenomena of someinteraction, different potentials can also be constructed. So, agreat variety of potentials can be found in literature. The potentials,commonly used in computer simulation of condensed matters, areclassified and some brief remarks for these potentials are given inthe paper.

     

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