Molecular dynamics study of surface effect on martensitic cubic-to-tetragonal transformation in Ni–Al alloy

• Published in: Computational materials science Vol. 46; no. 2; pp. 531 - 544
• Main Authors: Saitoh, Ken-ichi, Liu, Wing Kam
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 01.08.2009; Elsevier
• Subjects: Condensed matter: structure, mechanical and thermal properties; Crystalline structure; Elasticity, elastic constants; Exact sciences and technology; Finnis–Sinclair potential; Martensitic transformation; Mechanical and acoustical properties of condensed matter; Mechanical properties of solids; Molecular dynamics; Nickel and aluminum alloy; Physics; Stress-induced phase transformation; 64.60.Q; Stress-induced phase transformation; Finnis–Sinclair potential; 61.50.Ah; 64.70.K; Molecular dynamics; Nickel and aluminum alloy; Martensitic transformation; 64.60.−i; Crystalline structure; Cubic lattices; Molecular dynamics method; Potential energy functions; Surface effect; Interatomic potential; Shape memory alloy; Aluminium alloys; Superelasticity; 61.5O.Ah; Finnis-Sinclair potential; Recovery (properties); Nickel alloys; Tetragonal lattices; Strain energy; Uniaxial tension stress; Martensitic transformations; Boundary conditions; 64.60.-i; Strain measurement

Molecular dynamics (MD) study of martensitic transformation (MT) in nickel and aluminum alloy is performed. The behavior focused on is transformation between crystalline structures from B2 cubic cell to body-centered tetragonal cell, which is simply realized by uniaxial tensile loading. The potentia...