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2008--Kim-Y-M-Lee-B-J--Ti-N

Citation: Y.-M. Kim, and B.-J. Lee (2008), "Modified embedded-atom method interatomic potentials for the Ti-C and Ti-N binary systems", Acta Materialia, 56(14), 3481-3489. DOI: 10.1016/j.actamat.2008.03.027.
Abstract: Modified embedded-atom method (MEAM) interatomic potentials for the Ti-C and Ti-N binary systems have been developed using previously developed MEAM potentials of Ti, C and N. The potential parameters were determined by fitting to experimental data on the enthalpy of formation, lattice parameter, elastic constants, thermal linear expansion of NaCl-type TiC and TiN, and dilute heat of solution of carbon and nitrogen atoms in hexagonal close-packed Ti. The potentials can describe fundamental physical properties (structural, elastic, thermal and surface properties) of the alloys well, in good agreement with experimental information or first-principles calculations. The applicability of the potentials to atomistic investigations of interactions between TiC or TiN precipitates and matrix, dislocations or other defects, and their effects on deformation and mechanical behaviors of metallic alloys is discussed.

LAMMPS pair_style meam (2008--Kim-Y-M--Ti-N--LAMMPS--ipr1)
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Notes: These potential files were obtained from http://cmse.postech.ac.kr/home_2nnmeam, accessed Nov 9, 2020.
File(s):
See Computed Properties
Notes: Listing found at https://openkim.org.
Link(s):

Implementation Information

This page displays computed properties for the MEAM_2NN_Fe_to_Ga__MO_145522277939_001 implementation of the 2008--Kim-Y-M-Lee-B-J--Ti-N potential. Computed values for other implementations can be seen by clicking on the links below:

Date Created: October 5, 2010 | Last updated: December 14, 2023