Modified Embedded-Atom Interatomic Potential Parameters of the Ti–Cr Binary and Ti–Cr–N Ternary Systems

Ding, Shoubing and Li, Yue and Luo, Yiying and Wu, Zhimin and Wang, Xinqiang (2021) Modified Embedded-Atom Interatomic Potential Parameters of the Ti–Cr Binary and Ti–Cr–N Ternary Systems. Frontiers in Chemistry, 9. ISSN 2296-2646

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Official URL: https://doi.org/10.3389/fchem.2021.773015

Abstract

The second nearest-neighbor modified embedded-atom method (2NN MEAM) potential parameters of the Ti–Cr binary and Ti–Cr–N ternary systems are optimized in accordance with the 2NN MEAM method. The novel constructed potential parameters can well reproduce the multiple fundamental physical characteristics of binary and ternary systems and reasonably agree with the first-principles calculation or experimental data. Thus, the newly constructed 2NN MEAM potential parameters can be used for atomic simulations to determine the underlying principle of the hardness enhancement of TiN/CrN multilayered coatings.

Item Type:	Article
Subjects:	EP Archives > Chemical Science
Depositing User:	Managing Editor
Date Deposited:	24 Dec 2022 12:48
Last Modified:	17 Jun 2024 05:56
URI:	http://research.send4journal.com/id/eprint/556

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