Atomistic two-, three- and four-body potentials. Spatial and material settings

In molecular dynamics or molecular statics (MD/MS) multi-body potentials empirically capture the energetic interactions in atomistic systems enabling the computation of the corresponding atomistic forces as energetic conjugates to the atomistic positions. We distinguish here between spatial and mate...

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Veröffentlicht in:	Journal of the mechanics and physics of solids 2021-09, Vol.154, p.104507, Article 104507
Hauptverfasser:	Steinmann, P., Smith, A., Birang, E., McBride, A., Javili, A.
Format:	Artikel
Sprache:	eng
Schlagworte:	Configurations Deformation Mechanics (physics) Molecular dynamics Perturbation Potential energy
Online-Zugang:	Volltext
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