Atomic-scale investigation of point defects and hydrogen-solute atmospheres on the edge dislocation mobility in alpha iron

Atomic-scale analysis of liquid-gallium embrittlement of aluminum grain boundaries

(2014) M. Rajagopalan et al.   ACTA MATERIALIA

An ab initio study of the structure–strength correlation in impact damaged SiC grain boundaries

(2013) You Sung Han et al.   COMPUTATIONAL MATERIALS SCIENCE

An ab initio study of the peak tensile strength of tungsten with an account of helium point defects

(2013) You Sung Han et al.   INTERNATIONAL JOURNAL OF PLASTICITY

Understanding the influence of grain boundary thickness variation on the mechanical strength of a nickel-doped tungsten grain boundary

(2013) Hongsuk Lee et al.   INTERNATIONAL JOURNAL OF PLASTICITY

Grain Boundary Segregation of Interstitial and Substitutional Impurity Atoms in Alpha-Iron

(2013) M. Rajagopalan et al.   JOM

Energetics of vacancy segregation to symmetric tilt grain boundaries in hexagonal closed pack materials

(2013) M. A. Bhatia et al.   JOURNAL OF APPLIED PHYSICS

Quantifying the energetics and length scales of carbon segregation toα-Fe symmetric tilt grain boundaries using atomistic simulations

(2013) N R Rhodes et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Hydrogen-enhanced vacancy embrittlement of grain boundaries in iron

(2013) Hiroyoshi Momida et al.   PHYSICAL REVIEW B

Interplay between hydrogen and vacancies inα-Fe

(2013) Erin Hayward et al.   PHYSICAL REVIEW B

Hydrogen-induced change in core structures of {110}[111] edge and {110}[111] screw dislocations in iron

(2013) Shuai Wang et al.   Scientific Reports

Mechanisms and Kinetics of Environmentally Assisted Cracking: Current Status, Issues, and Suggestions for Further Work

(2012) S. P. Lynch   METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE

Atomistic Investigation of the Role of Grain Boundary Structure on Hydrogen Segregation and Embrittlement in α-Fe

(2012) Kiran N. Solanki et al.   METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE

Atomic mechanism and prediction of hydrogen embrittlement in iron

(2012) Jun Song et al.   NATURE MATERIALS

Atomistic simulations of the interactions of hydrogen with dislocations in fcc metals

(2012) Yizhe Tang et al.   PHYSICAL REVIEW B

Probing grain boundary sink strength at the nanoscale: Energetics and length scales of vacancy and interstitial absorption by grain boundaries inα-Fe

(2012) M. A. Tschopp et al.   PHYSICAL REVIEW B

Adsorption and penetration of hydrogen in W: A first principles study

(2011) Amitava Moitra et al.   COMPUTATIONAL MATERIALS SCIENCE

Thermally activated process of homogeneous dislocation nucleation and hydrogen effects: An atomistic study

(2011) Mao Wen et al.   COMPUTATIONAL MATERIALS SCIENCE

Energetics of small hydrogen–vacancy clusters in bcc iron

(2011) Erin Hayward et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Environmental Effects on Fatigue Crack Growth in 7075 Aluminum Alloy

(2011) A. Bonakdar et al.   METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE

QM/MM study of dislocation—hydrogen/helium interactions in α-Fe

(2011) Yi Zhao et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

A nanoscale mechanism of hydrogen embrittlement in metals

(2010) Jun Song et al.   ACTA MATERIALIA

First-Principles Study on the Grain Boundary Embrittlement of Metals by Solute Segregation: Part II. Metal (Fe, Al, Cu)-Hydrogen (H) Systems

(2010) Masatake Yamaguchi et al.   METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE

A Nanoscale Study of Dislocation Nucleation at the Crack Tip in the Nickel-Hydrogen System

(2010) K. N. Solanki et al.   METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE

Electronic structure and total energy of interstitial hydrogen in iron: Tight-binding models

(2010) A. T. Paxton et al.   PHYSICAL REVIEW B

Atomistic study of the effect of hydrogen on dislocation emission from a mode II crack tip in alpha iron

(2009) Shinya Taketomi et al.   INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES

Interatomic potentials for hydrogen inα–iron based on density functional theory

(2009) Ashwin Ramasubramaniam et al.   PHYSICAL REVIEW B

Strengthening due to coherent Cr precipitates in Fe–Cr alloys: Atomistic simulations and theoretical models

(2008) D.A. Terentyev et al.   ACTA MATERIALIA

Atomistic study of hydrogen distribution and diffusion around a {112} edge dislocation in alpha iron

(2008) Shinya Taketomi et al.   ACTA MATERIALIA

Simulation of the interaction between an edge dislocation and a 〈100〉 interstitial dislocation loop in α-iron

(2008) D. Terentyev et al.   ACTA MATERIALIA

Interaction of an edge dislocation with voids in α-iron modelled with different interatomic potentials

(2008) D Terentyev et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Metallic-covalent interatomic potential for carbon in iron

(2008) Derek J. Hepburn et al.   PHYSICAL REVIEW B