%0 Journal Article
%T Study of the Effect of Operating Temperatures (1320 K, 1420 K and 1520 K) on the Vacant Sites of TiN Alloy in B2 Structure at 45%, 50% and 55% N by MEAM Method
%A Alain S. Dzabana Honguelet
%A Yahnn J. Mighensle Mimboui
%A Ronolvie Bitho Ondongo
%A Timoth¨¦e Nsongo
%J Advances in Materials Physics and Chemistry
%P 135-149
%@ 2162-5328
%D 2023
%I Scientific Research Publishing
%R 10.4236/ampc.2023.137010
%X In this work, we have studied the vacancy formation energy of TiN alloy
of structure B2 of size 10 ¡Á 10 ¡Á 10 for nitrogen percentages of 45%, 50% and
55% under the influence of temperature at 1320 K, 1420 K and
1520 K using the Modified Embedded Atom Method MEAM under the
calculation code LAMMPS version 2020. This
study has enabled us to understand the behavior of the TiN alloy under
different nitrogen percentages in terms of total energy, vacancy formation
energy, crystalline parameter, occupancy rate and order parameter. For
total energy, we have shown that as temperature increases, total energy
decreases, making it easier to obtain TiN at higher temperatures; reaching the
value of -7344.9169 eV for the 55% nitrogen structure for the temperature of 1420