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

K Saitoh, WK Liu - Computational Materials Science, 2009 - Elsevier
Molecular dynamics (MD) study of martensitic transformation (MT) in nickel and aluminum
alloy is performed. The behavior focused on is transformation between crystalline structures …

Molecular dynamics study on microscopic mechanism for phase transformation of Ni–Ti alloy

T Sato, K Saitoh, N Shinke - Modelling and Simulation in …, 2006 - iopscience.iop.org
Molecular dynamics simulation (MDS), using the embedded atom method for interatomic
interactions, is performed to reveal the microscopic mechanism of stress-induced martensitic …

Molecular dynamics simulation of the effect of dislocations on the martensitic transformations in a two-dimensional model

SV Dmitriev, MP Kashchenko, JA Baimova… - 2017 - dr.ntu.edu.sg
One of the effective ways to study various properties of metallic crystals on atomistic level is
molecular dynamics simulation. Even simple Morse or Lennard-Jones interatomic potentials …

Molecular dynamics simulation of the martensitic phase transformation in NiAl alloys

GPP Pun, Y Mishin - Journal of Physics: Condensed Matter, 2010 - iopscience.iop.org
Using molecular dynamics simulations with an embedded-atom interatomic potential, we
study the effect of chemical composition and uniaxial mechanical stresses on the martensitic …

Molecular dynamics simulations of shape-memory behavior based on martensite transformation and shear deformation

T Uehara, T Tamai, N Ohno - … Journal Series A Solid Mechanics and …, 2006 - jstage.jst.go.jp
Molecular dynamics simulations of the shape-memory effect are carried out to investigate
the atomistic behavior during deformation and shape-recovery processes. The embedded …

Atomic dynamics and energetics of martensitic transformation in nickel–titanium shape memory alloy

K Saitoh, T Sato, N Shinke - Materials transactions, 2006 - jstage.jst.go.jp
As an engineering material with shape memory effect (SME), Ni–Ti alloy is well known and
well used in engineering application. The alloy exhibits SME based on martensitic …

MD simulation of martensitic transformations in TiNi alloys with MEAM

H Ishida, Y Hiwatari - Molecular Simulation, 2007 - Taylor & Francis
The martensitic transformations in TiNi alloys were studied using molecular dynamics (MD)
simulations. The modified embedded atom method was used with the pseudo monoatomic …

Atomic-scale analysis of martensitic transformation in titanium alloyed with vanadium Part II: molecular dynamics simulations

M Grujicic, P Dang - Materials Science and Engineering: A, 1996 - Elsevier
The martensitic phase transformation in Ti-base Ti V bcc alloys is studied using the
Embedded Atom Method (EAM) interatomic potentials to quantify the atomic interactions and …

Atomic-level structural change in Ni-Ti alloys under martensite and amorphous transformations

K Saitoh, K Kubota, T Sato - Technische Mechanik-European …, 2010 - journals.ub.ovgu.de
The Ni-Ti alloys have been used widely as functional materials, especially for the purpose of
superelastic behavior or shape memory effect. It has been believed that martensitic …

An atomistic study on shape-memory effect by shear deformation and phase transformation

T Uehara, T Tamai - Mechanics of Advanced Materials and …, 2006 - Taylor & Francis
An atomistic study on the shape-memory effect is carried out by molecular dynamics
simulations with the EAM potential for Ni-Al alloy. As preliminary simulations, the stable …