Ab initiomodelling of the interaction of H interstitials with grain boundaries in bcc Fe

Si segregation at Fe grain boundaries analyzed byab initiolocal energy and local stress

(2014) Somesh Kr Bhattacharya et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Hydrogen embrittlement of a carbon segregated Σ5(310)[001] symmetrical tilt grain boundary in α-Fe

(2014) A.M. Tahir et al.   MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING

Ab initiostudy of symmetrical tilt grain boundaries in bcc Fe: structural units, magnetic moments, interfacial bonding, local energy and local stress

(2013) Somesh Kr Bhattacharya et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Hydrogen–vacancy interaction in bcc iron: ab initio calculations and thermodynamics

(2013) D.A. Mirzaev et al.   MOLECULAR PHYSICS

Hydrogen-enhanced vacancy embrittlement of grain boundaries in iron

(2013) Hiroyoshi Momida et al.   PHYSICAL REVIEW B

First-Principles Study on the Structural and Magnetic Properties of Iron Hydride

(2012) Takao Tsumuraya et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Theory of hydrogen solubility in binary iron alloys based onab initiocalculation results

(2012) D.A. Mirzaev et al.   MOLECULAR PHYSICS

Configuration and binding energy of multiple hydrogen atoms trapped in monovacancy in bcc transition metals

(2012) Kazuhito Ohsawa et al.   PHYSICAL REVIEW B

Formation of hydrogen-vacancy complexes in alpha iron

(2012) D. A. Mirzaev et al.   PHYSICS OF METALS AND METALLOGRAPHY

First-principles study on the interaction of H interstitials with grain boundaries inα- andγ-Fe

(2011) Yaojun A. Du et al.   PHYSICAL REVIEW B

Effect of alloying additions on the hydrogen-induced grain boundary embrittlement in iron

(2010) Z X Tian et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

Cohesive and magnetic properties of grain boundaries in bcc Fe with Cr additions

(2010) E. Wachowicz et al.   PHYSICAL REVIEW B

Effect of impurities on grain boundary cohesion in bcc iron

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

Multiscale modelling of bi-crystal grain boundaries in bcc iron

(2008) Ning Gao et al.   JOURNAL OF NUCLEAR MATERIALS