Ab initio perspective of the 〈110〉 symmetrical tilt grain boundaries in bcc Fe: application of local energy and local stress

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

Structure and strength of 〈110〉 tilt grain boundaries in bcc Fe: An atomistic study

(2010) D. Terentyev et al.   COMPUTATIONAL MATERIALS SCIENCE

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

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

Ab initiolocal stress and its application to Al (111) surfaces

(2010) Yoshinori Shiihara et al.   PHYSICAL REVIEW B

Dependence of the grain boundary energy on the alloy composition in the bcc iron–chromium alloy: A molecular dynamics study

(2008) Yasushi Shibuta et al.   COMPUTATIONAL MATERIALS SCIENCE

A Molecular Dynamics Study of the Energy and Structure of the Symmetric Tilt Boundary of Iron

(2008) Yasushi Shibuta et al.   ISIJ INTERNATIONAL

Multiscale modelling of bi-crystal grain boundaries in bcc iron

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

First-principles approaches to intrinsic strength and deformation of materials: perfect crystals, nano-structures, surfaces and interfaces

(2008) Shigenobu Ogata et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING