Study of the interaction of solutes with Σ5 (013) tilt grain boundaries in iron using density-functional theory

A first-principles investigation on the effects of magnetism on the Bain transformation of α-phase FeNi systems

(2012) Gul Rahman et al.   JOURNAL OF APPLIED PHYSICS

Ab initiocalculations of rare-earth diffusion in magnesium

(2012) Liam Huber et al.   PHYSICAL REVIEW B

Effect of impurities on structural, cohesive and magnetic properties of grain boundaries in α-Fe

(2011) E Wachowicz et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Simple concentration-dependent pair interaction model for large-scale simulations of Fe-Cr alloys

(2011) Maximilien Levesque et al.   PHYSICAL REVIEW B

Calculation of impurity diffusivities in α-Fe using first-principles methods

(2010) Shenyan Huang et al.   ACTA 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

Ab initiostudy of solute transition-metal interactions with point defects in bcc Fe

(2010) P. Olsson et al.   PHYSICAL REVIEW B

First-principles study of solute–vacancy binding in magnesium

(2009) Dongwon Shin et al.   ACTA MATERIALIA

Atomistic modeling of interfaces and their impact on microstructure and properties

(2009) Y. Mishin et al.   ACTA MATERIALIA

Effect of impurities on grain boundary cohesion in bcc iron

(2008) E. Wachowicz et al.   COMPUTATIONAL MATERIALS SCIENCE