A neural-network based framework of developing cross interaction in alloy embedded-atom method potentials: application to Zr–Nb alloy

Metallic Glass Instability Induced by the Continuous Dislocation Absorption at an Amorphous/Crystalline Interface

(2020) Thanh Phan et al.   ACTA MATERIALIA

Machine learning enabled autonomous microstructural characterization in 3D samples

(2020) Henry Chan et al.   npj Computational Materials

Ab initio phase diagram and nucleation of gallium

(2020) Haiyang Niu et al.   Nature Communications

Thickness-dependent shear localization in Cu/Nb metallic nanolayered composites

(2020) Shujing Dong et al.   SCRIPTA MATERIALIA

Dislocation nucleation from Zr–Nb bimetal interfaces cooperating with the dynamic evolution of interfacial dislocations

(2020) Bo Lin et al.   INTERNATIONAL JOURNAL OF PLASTICITY

Oxygen effects on crystal plasticity of Titanium: A multiscale calibration and validation framework

(2019) C. Kale et al.   ACTA MATERIALIA

Strengthening in multi-principal element alloys with local-chemical-order roughened dislocation pathways

(2019) Qing-Jie Li et al.   Nature Communications

Mesoscale modeling of jet initiation behavior and microstructural evolution during cold spray single particle impact

(2019) Sumit Suresh et al.   ACTA MATERIALIA

Ultra-high strength and plasticity mediated by partial dislocations and defect networks: Part I: Texture effect

(2019) Ruizhe Su et al.   ACTA MATERIALIA

Effect of pre-existing defects in the parent fcc phase on atomistic mechanisms during the martensitic transformation in pure Fe: A molecular dynamics study

(2018) S. Karewar et al.   ACTA MATERIALIA

Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics

(2018) Linfeng Zhang et al.   PHYSICAL REVIEW LETTERS

Understanding the physical metallurgy of the CoCrFeMnNi high-entropy alloy: an atomistic simulation study

(2018) Won-Mi Choi et al.   npj Computational Materials

Developing an interatomic potential for martensitic phase transformations in zirconium by machine learning

(2018) Hongxiang Zong et al.   npj Computational Materials

Atomistic modeling of Mg/Nb interfaces: shear strength and interaction with lattice glide dislocations

(2017) S. K. Yadav et al.   JOURNAL OF MATERIALS SCIENCE

Probing the limits of metal plasticity with molecular dynamics simulations

(2017) Luis A. Zepeda-Ruiz et al.   NATURE

Submicrometer-scale molecular dynamics simulation of nucleation and solidification from undercooled melt: Linkage between empirical interpretation and atomistic nature

(2016) Yasushi Shibuta et al.   ACTA MATERIALIA

The plasticity of highly oriented nano-layered Zr/Nb composites

(2016) Milan Ardeljan et al.   ACTA MATERIALIA

Barrier-Free Nucleation at Grain-Boundary Triple Junctions During Solid-State Phase Transformations

(2016) Huajing Song et al.   PHYSICAL REVIEW LETTERS

〈a〉 Prismatic, 〈a〉 basal, and 〈c+a〉 slip strengths of commercially pure Zr by micro-cantilever tests

(2015) Jicheng Gong et al.   ACTA MATERIALIA

Classical interaction potentials for diverse materials fromab initiodata: a review ofpotfit

(2015) Peter Brommer 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

Nonhysteretic Superelasticity of Shape Memory Alloys at the Nanoscale

(2013) Zhen Zhang et al.   PHYSICAL REVIEW LETTERS

Classification of the critical resolved shear stress in the hexagonal-close-packed materials by atomic simulation: Application to α-zirconium and α-titanium

(2011) A. Poty et al.   JOURNAL OF APPLIED PHYSICS

Twinning in bcc metals under shock loading: a challenge to empirical potentials

(2011) R.F. Zhang et al.   PHILOSOPHICAL MAGAZINE LETTERS

Dislocation core structure and dynamics in two atomic models of α-zirconium

(2010) H.A. Khater et al.   ACTA MATERIALIA

Force-matched embedded-atom method potential for niobium

(2010) Michael R. Fellinger et al.   PHYSICAL REVIEW B

Ternary Fe–Cu–Ni many-body potential to model reactor pressure vessel steels: First validation by simulated thermal annealing

(2009) G. Bonny et al.   PHILOSOPHICAL MAGAZINE

SIMULATIONS OF COLLISION CASCADES IN Cu–Nb LAYERED COMPOSITES USING AN EAM INTERATOMIC POTENTIAL

(2009) M. J. DEMKOWICZ et al.   International Journal of Applied Mechanics