Molecular dynamics simulation of WC/WC grain boundary sliding resistance in WC–Co cemented carbides at high temperature

2015 ◽  
Vol 49 ◽  
pp. 75-80 ◽  
Author(s):  
M.V.G. Petisme ◽  
M.A. Gren ◽  
G. Wahnström
Keyword(s):  
Molecular Dynamics ◽  
High Temperature ◽  
Molecular Dynamics Simulation ◽  
Grain Boundary ◽  
Grain Boundary Sliding ◽  
Dynamics Simulation ◽  
Cemented Carbides ◽  
Boundary Sliding ◽  
Sliding Resistance

Two-Dimensional Molecular Dynamics Simulation for Studying of Grain Refinement

2016 ◽  
Vol 838-839 ◽  
pp. 361-366 ◽  
Author(s):  
Julia A. Baimova ◽  
Sergey V. Dmitriev
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Molecular Dynamics Simulation ◽  
Grain Refinement ◽  
Simulation Method ◽  
Grain Boundary Sliding ◽  
Dynamics Simulation ◽  
Shear Stresses ◽  
Two Dimensional ◽  
Boundary Sliding

The molecular dynamics simulation method in two-dimensional case is presented for the simulation of grain refinement and can be applied to the investigation of grain boundary sliding and defects movement under severe plastic deformation. Nanopolycrystalline system is shown as the example of the application of the method proposed. Atomistic details of structure formation and grain growth (refinement) are shown by the example of change of loading scheme. It was shown that elongated grains which appear under plastic deformation can grow up even larger or be destroyed, depending on the direction of the applied maximal shear stresses.

High-Temperature Behavior of Grain Boundaries from Embedded Atom Method Molecular Dynamics Simulation

1988 ◽  
Vol 141 ◽  
Author(s):  
J. F. Lutsko ◽  
D. Wolf ◽  
S. R. Phillpot
Keyword(s):  
Molecular Dynamics ◽  
High Temperature ◽  
Molecular Dynamics Simulation ◽  
Melting Point ◽  
Grain Boundary ◽  
Dynamics Simulation ◽  
Embedded Atom Method ◽  
Embedded Atom ◽  
The Stability ◽  
Atom Potential

AbstractThe behavior of a metallic grain boundary at high temperatures is studied using an embedded atom potential. A recently developed molecular dynamics code is used which allows the simulation of an isolated grain boundary at temperatures as high as the bulk melting point. The stability of the boundary below the melting point is studied and compared with earlier investigations which have suggested the existence of a “premelting“ transition. It is found that the boundary migrates at high temperature but remains well defined up to the bulk melting point. In contrast to simulations of ideal crystals, it was not possible to superheat the grain boundary due to the nucleation of bulk melting at the boundary.

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