Ab initiocalculation of traction separation laws for a grain boundary in molybdenum with segregated C impurites

Simulation of fracture in heterogeneous elastic materials with cohesive zone models

(2010) M. Prechtel et al.   INTERNATIONAL JOURNAL OF FRACTURE

Ab initiotensile tests of Al bulk crystals and grain boundaries: Universality of mechanical behavior

(2010) Rebecca Janisch et al.   PHYSICAL REVIEW B

Interstitial impurities at grain boundaries in metals: insight from atomistic calculations

(2009) Rebecca Janisch et al.   International Journal of Materials Research

The theoretical tensile strength of fcc crystals predicted from shear strength calculations

(2009) M Černý et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

Binding-energy relations and equations of state for the4dand5dtransition metals

(2008) T. Qin et al.   PHYSICAL REVIEW B

Growth and mechanical properties of a MoC precipitate at a Mo grain boundary: Anab initiodensity functional theory study

(2008) Rebecca Janisch et al.   PHYSICAL REVIEW B

Cleavage fracture of a crystal: Density functional theory calculations based on a model which includes structural relaxations

(2008) P. Lazar et al.   PHYSICAL REVIEW B