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

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

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

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

A new Fe–He interatomic potential based on ab initio calculations in α-Fe

(2011) F. Gao et al.   JOURNAL OF NUCLEAR MATERIALS

Energetic driving force for preferential binding of self-interstitial atoms to Fe grain boundaries over vacancies

(2011) M.A. Tschopp et al.   SCRIPTA MATERIALIA

First-Principles Study on the Grain Boundary Embrittlement of Metals by Solute Segregation: Part I. Iron (Fe)-Solute (B, C, P, and S) Systems

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

Efficient Annealing of Radiation Damage Near Grain Boundaries via Interstitial Emission

(2010) X. M. Bai et al.   SCIENCE

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

(2009) Ashwin Ramasubramaniam et al.   PHYSICAL REVIEW B

Atomistic simulations of tension–compression asymmetry in dislocation nucleation for copper grain boundaries

(2008) M.A. Tschopp et al.   COMPUTATIONAL MATERIALS SCIENCE

Metallic-covalent interatomic potential for carbon in iron

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

Dislocation nucleation in Σ3 asymmetric tilt grain boundaries

(2007) M.A. Tschopp et al.   INTERNATIONAL JOURNAL OF PLASTICITY