About this Abstract |
Meeting |
MS&T21: Materials Science & Technology
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Symposium
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Integration between Modeling and Experiments for Crystalline Metals: From Atomistic to Macroscopic Scales III
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Presentation Title |
Two-scale Simulation of Plastic eformation in BCC Metals: Combination of Atomistic Simulation and Dislocation Dynamics |
Author(s) |
Sergei Starikov, Vasily Tseplyaev, Matous Mrovec |
On-Site Speaker (Planned) |
Sergei Starikov |
Abstract Scope |
It is known that one of the basic mechanisms of plasticity is a motion of dislocations under applied stress. In this work, on the example of Mo and Nb, the study of plastic deformation in bcc metals was performed with multi-scale modelling. The temperature-dependent mobility functions of screw and edge dislocations were calculated from molecular dynamics simulation. The simulations of screw dislocation movement under applied shear stress revealed that the process can proceed in two different regimes: through thermally activated motion and athermal motion. Hence, the dislocation velocity depends on the shear stress in a non-trivial way. The calculated data were implemented in the dislocation dynamics model. Such model allows to simulate plastic deformation taking into account temperature effect on the dislocation mobility. |