Modified embedded-atom method potential for high-temperature crystal-melt properties of Ti–Ni alloys and its application to phase field simulation of solidification

Quantitative phase field modeling of solute trapping and continuous growth kinetics in quasi-rapid solidification

(2019) Tatu Pinomaa et al.   ACTA MATERIALIA

Energetic, structural and mechanical properties of terraced interfaces

(2019) M. Dodaran et al.   ACTA MATERIALIA

Combined molecular dynamics and phase field simulation investigations of crystal-melt interfacial properties and dendritic solidification of highly undercooled titanium

(2019) Sepideh Kavousi et al.   COMPUTATIONAL MATERIALS SCIENCE

Composition dependence of solid-liquid interfacial energy of Fe-Cr binary alloy from molecular dynamics simulations

(2019) Kensho Ueno et al.   COMPUTATIONAL MATERIALS SCIENCE

An atomic displacive model for 101¯21¯011 twinning in hexagonal close packed metals with the emphasis on the role of partial stacking faults in formation of {101¯2} twins

(2018) Reza Namakian et al.   ACTA MATERIALIA

An improved modified embedded-atom method potential to fit the properties of silicon at high temperature

(2018) Xiusong Huang et al.   COMPUTATIONAL MATERIALS SCIENCE

Molecular dynamics for near melting temperatures simulations of metals using modified embedded-atom method

(2018) S. Alireza Etesami et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Titanium Melting Curve: Data Consistency Assessment, Problems and Achievements

(2018) E. Yu. Kulyamina et al.   TECHNICAL PHYSICS

Thermodynamics of solid Sn and Pb Sn liquid mixtures using molecular dynamics simulations

(2018) S. Alireza Etesami et al.   ACTA MATERIALIA

Density measurement of Ti–X (X = Cu, Ni) melts and thermodynamic correlations

(2018) Manabu Watanabe et al.   JOURNAL OF MATERIALS SCIENCE

Density of Liquid Ni-Ti and a New Optical Method for its Determination

(2018) J. Brillo et al.   METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE

On the solid/liquid interfacial energies of metals and alloys

(2017) George Kaptay   JOURNAL OF MATERIALS SCIENCE

On the primary spacing and microsegregation of cellular dendrites in laser deposited Ni–Nb alloys

(2017) Supriyo Ghosh et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Interatomic potential for the NiTi alloy and its application

(2016) Guowu Ren et al.   COMPUTATIONAL MATERIALS SCIENCE

Prediction of primary dendritic arm spacing during laser rapid directional solidification of single-crystal nickel-base superalloys

(2016) Yao-Jian Liang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Toward the Exploration of the NiTi Phase Diagram with a Classical Force Field

(2016) Christian Kexel et al.   Journal of Physical Chemistry C

Reconciling simulated melting and ground-state properties of metals with a modified embedded-atom method potential

(2016) G B Sushko et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

On the effect of alloy composition on martensite start temperatures and latent heats in Ni–Ti-based shape memory alloys

(2015) J. Frenzel et al.   ACTA MATERIALIA

Two-phase solid–liquid coexistence of Ni, Cu, and Al by molecular dynamics simulations using the modified embedded-atom method

(2015) Ebrahim Asadi et al.   ACTA MATERIALIA

Uncertainty evaluation for density measurements of molten Ni, Zr, Nb and Hf by using a containerless method

(2015) Hanbyeol Yoo et al.   METROLOGIA

Quantitative modeling of the equilibration of two-phase solid-liquid Fe by atomistic simulations on diffusive time scales

(2015) Ebrahim Asadi et al.   PHYSICAL REVIEW B

Development and application of a Ni-Ti interatomic potential with high predictive accuracy of the martensitic phase transition

(2015) Won-Seok Ko et al.   PHYSICAL REVIEW B

Atomic approach to the optimized compositions of Ni–Nb–Ti glassy alloys with large glass-forming ability

(2015) Yang Li et al.   RSC Advances

Structure and energetics of Ni from ab initio molecular dynamics calculations

(2014) H. Zhang et al.   COMPUTATIONAL MATERIALS SCIENCE

Crystal–liquid interfacial free energy and thermophysical properties of pure liquid Ti using electrostatic levitation: Hypercooling limit, specific heat, total hemispherical emissivity, density, and interfacial free energy

(2013) Geun Woo Lee et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Dendritic Growth Morphologies in Al-Zn Alloys—Part I: X-ray Tomographic Microscopy

(2013) JONATHAN Friedli et al.   METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE

Density and structure of undercooled liquid titanium

(2012) HaiPeng Wang et al.   CHINESE SCIENCE BULLETIN

CALPHAD, first and second generation – Birth of the materials genome

(2012) Larry Kaufman et al.   SCRIPTA MATERIALIA

Atomistic study of nanotwins in NiTi shape memory alloys

(2011) Yuan Zhong et al.   JOURNAL OF APPLIED PHYSICS

Ab initiostudy of pressure stabilized NiTi allotropes: Pressure-induced transformations and hysteresis loops

(2011) David Holec et al.   PHYSICAL REVIEW B

Atomistic Simulations of Nonequilibrium Crystal-Growth Kinetics from Alloy Melts

(2011) Yang Yang et al.   PHYSICAL REVIEW LETTERS

Simulation of structural phase transitions in NiTi

(2010) Daniel Mutter et al.   PHYSICAL REVIEW B

Primary dendrite arm spacing during unidirectional solidification of Pb–Bi peritectic alloys

(2009) X.W. Hu et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Solid-liquid interface free energy in binary systems: Theory and atomistic calculations for the (110) Cu–Ag interface

(2009) T. Frolov et al.   JOURNAL OF CHEMICAL PHYSICS

Determination of the crystal-melt interface kinetic coefficient from molecular dynamics simulations

(2009) J Monk et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Development of interatomic potentials appropriate for simulation of solid–liquid interface properties in Al–Mg alloys

(2009) M.I. Mendelev et al.   PHILOSOPHICAL MAGAZINE

Improvement of computer simulation models for metallic melts via quasielastic neutron scattering: A case study of liquid titanium

(2009) J. Horbach et al.   PHYSICAL REVIEW B

Solidification microstructures and solid-state parallels: Recent developments, future directions

(2008) M. Asta et al.   ACTA MATERIALIA

Classical potential describes martensitic phase transformations between theα,β, andωtitanium phases

(2008) R. G. Hennig et al.   PHYSICAL REVIEW B