Modified Embedded‐Atom Method Potentials for the Plasticity and Fracture Behaviors of Unary HCP Metals

Chemical-Affinity Disparity and Exclusivity Drive Atomic Segregation, Short-Range Ordering, and Cluster Formation in High-Entropy Alloys

(2021) Shuai Chen et al.   ACTA MATERIALIA

Atomistic simulation of chemical short-range order in HfNbTaZr high entropy alloy based on a newly-developed interatomic potential

(2021) Xiusong Huang et al.   MATERIALS & DESIGN

Mechanical properties and deformation mechanisms of gradient nanostructured metals and alloys

(2020) Xiaoyan Li et al.   Nature Reviews Materials

Second nearest-neighbor modified embedded-atom method interatomic potentials for the Co-M (M = Ti, V) binary systems

(2020) Sang-Ho Oh et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

Second-nearest-neighbor modified embedded-atom method interatomic potential for V-M (M = Cu, Mo, Ti) binary systems

(2020) Jaemin Wang et al.   COMPUTATIONAL MATERIALS SCIENCE

Analysis of double cross-slip of pyramidal I 〈c+a〉 screw dislocations and implications for ductility in Mg alloys

(2019) Rasool Ahmad et al.   ACTA MATERIALIA

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

(2019) Sepideh Kavousi et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Additive manufacturing of ultrafine-grained high-strength titanium alloys

(2019) Duyao Zhang et al.   NATURE

Second nearest-neighbor modified embedded-atom method interatomic potentials for the Pd-M (M = Al, Co, Cu, Fe, Mo, Ni, Ti) binary systems

(2018) Ga-Un Jeong et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

Mechanical instabilities in the modeling of phase transitions of titanium

(2018) D Dickel et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Mechanistic origin and prediction of enhanced ductility in magnesium alloys

(2018) Zhaoxuan Wu et al.   SCIENCE

Thermomechanical response of NiTi shape-memory nanoprecipitates in TiV alloys

(2017) S. B. Maisel et al.   PHYSICAL REVIEW MATERIALS

A modified embedded atom method potential for interstitial oxygen in titanium

(2016) Pinchao Zhang et al.   COMPUTATIONAL MATERIALS SCIENCE

A unified relation for the solid-liquid interface free energy of pure FCC, BCC, and HCP metals

(2016) S. R. Wilson et al.   JOURNAL OF CHEMICAL PHYSICS

Development of an interatomic potential for the simulation of defects, plasticity, and phase transformations in titanium

(2016) M. I. Mendelev et al.   JOURNAL OF CHEMICAL PHYSICS

Vacancy formation energies in metals: A comparison of MetaGGA with LDA and GGA exchange–correlation functionals

(2015) Bharat Medasani et al.   COMPUTATIONAL MATERIALS SCIENCE

Modified embedded-atom method interatomic potentials for the Ni–Co binary and the Ni–Al–Co ternary systems

(2015) Young-Kwang Kim et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

The origins of high hardening and low ductility in magnesium

(2015) Zhaoxuan Wu et al.   NATURE

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

Magnesium interatomic potential for simulating plasticity and fracture phenomena

(2014) Z Wu et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Magneto-elastic effects and thermodynamic properties of ferromagnetic hcp Co

(2014) Fang-Guang Kuang et al.   PHYSICA B-CONDENSED MATTER

Ab initioand atomistic study of generalized stacking fault energies in Mg and Mg–Y alloys

(2013) Z Pei et al.   NEW JOURNAL OF PHYSICS

Atomistic modeling of pure Co and Co–Al system

(2012) Wei-Ping Dong et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

Embedded-atom potential for hcp and fcc cobalt

(2012) G. P. Purja Pun et al.   PHYSICAL REVIEW B

Atomistic Modeling of pure Mg and Mg–Al systems

(2009) Young-Min Kim et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

Modified embedded-atom method interatomic potentials for pure Mn and the Fe–Mn system

(2008) Young-Min Kim et al.   ACTA MATERIALIA

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

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

Modified embedded-atom method interatomic potentials for the Fe–Nb and Fe–Ti binary systems

(2008) I SA et al.   SCRIPTA MATERIALIA