Magnetically dead layers atsp-impurity-decorated grain boundaries and surfaces in nickel

The effect of segregated sp-impurities on grain-boundary and surface structure, magnetism and embrittlement in nickel

(2011) M. Všianská et al.   PROGRESS IN MATERIALS SCIENCE

Survey of computed grain boundary properties in face-centered cubic metals: I. Grain boundary energy

(2009) David L. Olmsted et al.   ACTA MATERIALIA

Stability of Ferromagnetism in Fe, Co, and Ni Metals under High Pressure with GGA and GGA+U

(2009) Yousif Shoaib Mohammed et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Effect of lateral contraction and magnetism on the energy release upon fracture in metals: First-principles computational tensile tests

(2009) Z. X. Tian et al.   PHYSICAL REVIEW B

First-principles studies of the oxygen adsorption on unreconstructed and reconstructed Ni(110) surfaces

(2009) Wei-Bing Zhang et al.   SURFACE SCIENCE

Effect of dopants on grain boundary decohesion of Ni: A first-principles study

(2008) Suchismita Sanyal et al.   APPLIED PHYSICS LETTERS

DFT studies of sulfur induced stress corrosion cracking in nickel

(2008) H.H. Kart et al.   COMPUTATIONAL MATERIALS SCIENCE

Effect of applied stress on vacancy segregation near the grain boundary in nickel

(2008) W. Xiao et al.   JOURNAL OF APPLIED PHYSICS

First-principles study of magnetism at grain boundaries in iron and nickel

(2008) Miroslav Čák et al.   PHYSICAL REVIEW B