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机译:Investigating various many-body force fields for their ability to predict reduction in elastic modulus due to vacancies using molecular dynamics simulations
Mem Univ Newfoundland, Dept Mech Engn, St John, NF, Canada;
Molecular dynamics; mechanical properties; force field; vacancies; atomistic tension test; INTERATOMIC POTENTIALS; MECHANICAL-PROPERTIES; SELF-DIFFUSION; YOUNGS MODULUS; REAXFF; IRON; POROSITY; INITIATION; OXIDATION; SURFACES;