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

Internet

http://www.mdpi.com/1996-1944/12/2/215

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