Central-force decomposition of the Tersoff potential

• Autorzy: Tran H. , Winczewski Sz.

Identyfikatory

DOI

10.17466/tq2017/21.3/p

• Języki publikacji: EN

Abstrakty

EN

Central forces play important role in the analysis of results obtained with particle simulation methods, since they allow evaluating stress fields. In this work we derive expressions for a central-force decompositon of the Tersoff potential, which is often used to describe interatomic interactions in covalently bonded materials. We simplify the obtained expressions and discuss their properties.

Słowa kluczowe

EN

central-force decomposition; Tersoff potential; molecular dynamics; empirical potentials

PL

siły centralne; rozkład sił; potencjał Tersoffa; dynamika molekularna; potencjały empiryczne

• Wydawca: Politechnika Gdańska
• Czasopismo: TASK Quarterly : scientific bulletin of Academic Computer Centre in Gdansk
• Rocznik: 2017
• Tom: Vol. 21, No 3
• Strony: 261--283
• Opis fizyczny: Bibliogr. 40 poz.

Twórcy

autor

Tran H.

• Faculty of Applied Physics and Mathematics, Gdansk University of Technology, Narutowicza 11/12, 80-233 Gdansk, Poland

autor

Winczewski Sz.

• Faculty of Applied Physics and Mathematics, Gdansk University of Technology, Narutowicza 11/12, 80-233 Gdansk, Poland

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Uwagi

PL

Opracowanie rekordu w ramach umowy 509/P-DUN/2018 ze środków MNiSW przeznaczonych na działalność upowszechniającą naukę (2018).