Semi-Empirical Force-Field Model for the Ti1−xAlxN (0 ≤ x ≤ 1) System

Semi-Empirical Force-Field Model for the Ti1−xAlxN (0 ≤ x ≤ 1) System

We present a modified embedded atom method (MEAM) semi-empirical force-field model for the Ti1−xAlxN (0 ≤ x ≤ 1) alloy system. The MEAM parameters, determined via an adaptive simulated-annealing (ASA) minimization scheme, optimize the model’s predictions with respec...

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Bibliographic Details
Main Authors:	G. A. Almyras, D. G. Sangiovanni, K. Sarakinos
Format:	Article
Language:	English
Published:	MDPI AG 2019-01-01
Series:	Materials
Subjects:	titanium-aluminum nitride Ti-Al-N MD simulations, molecular dynamics interatomic potential MEAM force-field model spinodal decomposition phase stability
Online Access:	http://www.mdpi.com/1996-1944/12/2/215

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