Tersoff and REBO Potentials

Rajesh Kumar; Jashveer Singh

doi:10.1007/978-981-19-3092-8_9

Tersoff and REBO Potentials

Rajesh Kumar, Jashveer Singh

National Institute of Technology Hamirpur

Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review

Abstract

Interatomic potentials are used to describe the motion of the individual atoms in atomistic simulations. A perfect approach of the interatomic forces in a system of atoms requires massive quantum mechanical calculations, which are not computationally viable in large-scale simulations. This chapter discusses the developmental history of Tersoff and REBO potentials along with the challenges and limitations associated with these potentials. Also, a glimpse of their advantages, usage, and applications have been presented.

Original language	English
Title of host publication	Lecture Notes in Applied and Computational Mechanics
Publisher	Springer Science and Business Media Deutschland GmbH
Pages	187-203
Number of pages	17
DOIs	https://doi.org/10.1007/978-981-19-3092-8_9
State	Published - 2022
Externally published	Yes

Publication series

Name	Lecture Notes in Applied and Computational Mechanics
Volume	99
ISSN (Print)	1613-7736
ISSN (Electronic)	1860-0816

Bibliographical note

Publisher Copyright:
© 2022, The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd.

Keywords

Atomistic scale simulations
Interatomic potentials
Mechanical properties
Molecular dynamics

Access to Document

10.1007/978-981-19-3092-8_9

Cite this

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Tersoff and REBO Potentials

Abstract

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Bibliographical note

Keywords

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