"Dislocation motion in tungsten: Atomistic input to discrete dislocation simulations"@en . "69893" . . . . . . "International Journal of Plasticity" . . "Srivastava, K." . . "10.1016/j.ijplas.2013.01.014" . "GB - Spojen\u00E9 kr\u00E1lovstv\u00ED Velk\u00E9 Brit\u00E1nie a Severn\u00EDho Irska" . "1"^^ . "Dislocation motion in tungsten: Atomistic input to discrete dislocation simulations"@en . . "4"^^ . "RIV/68081723:_____/13:00435008" . "47" . . "Dislocation motion in tungsten: Atomistic input to discrete dislocation simulations" . . "000321410200008" . "Dislocation motion in tungsten: Atomistic input to discrete dislocation simulations" . "17"^^ . "RIV/68081723:_____/13:00435008!RIV15-GA0-68081723" . "A computational framework for the discrete dislocation dynamics simulation of body-centered cubic (bcc) metals which incorporates atomistic simulation results is developed here on the example of tungsten. Mobility rules for the a/2h111i screw dislocations are based on the kink-pair mechanism. The fundamental physical quantity controlling the kink-pair nucleation, the stress-dependent activation enthalpy, is obtained by fitting the line-tension model to atomistic data extending the approach by Gr\u00F6ger et al. (2008a,b) and Gr\u00F6ger and Vitek (2008c). In agreement with atomistic simulation, kink-pair nucleation is assumed to occur only on f110g planes. It is demonstrated that slip of the crystal along high-index planes like f112g which is often observed in experiments is obtained by the glide of the dislocation on two or more f110g planes. It is shown that such an atomistic based description of the dislocation mobility provides a physical basis to naturally explain many experimentally observed phenomena in bcc metals like the tension\u2013compression asymmetry, the orientation dependence of loading, temperature dependence of yield stress and the crystallography of slip." . "Gr\u00F6ger, Roman" . . "Weygand, D." . . . . "AUG" . . . "A computational framework for the discrete dislocation dynamics simulation of body-centered cubic (bcc) metals which incorporates atomistic simulation results is developed here on the example of tungsten. Mobility rules for the a/2h111i screw dislocations are based on the kink-pair mechanism. The fundamental physical quantity controlling the kink-pair nucleation, the stress-dependent activation enthalpy, is obtained by fitting the line-tension model to atomistic data extending the approach by Gr\u00F6ger et al. (2008a,b) and Gr\u00F6ger and Vitek (2008c). In agreement with atomistic simulation, kink-pair nucleation is assumed to occur only on f110g planes. It is demonstrated that slip of the crystal along high-index planes like f112g which is often observed in experiments is obtained by the glide of the dislocation on two or more f110g planes. It is shown that such an atomistic based description of the dislocation mobility provides a physical basis to naturally explain many experimentally observed phenomena in bcc metals like the tension\u2013compression asymmetry, the orientation dependence of loading, temperature dependence of yield stress and the crystallography of slip."@en . "I, P(ED1.1.00/02.0068), P(GAP204/10/0255)" . . "Gumbsch, P." . "[F8475E76E749]" . "0749-6419" . "body-centered cubic; non-Schmid effects; anomalous slip; discrete dislocation dynamics"@en . .