Molecular dynamics simulation of 〈c+a〉 dislocation core structure in hexagonal-close-packed metals

2002 ◽  
Vol 33 (3) ◽  
pp. 823-829 ◽  
Author(s):  
Shinji Ando ◽  
Hideki Tonda ◽  
Takushi Gotoh
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dislocation Core ◽  
Core Structure ◽  
Dynamics Simulation ◽  
Hexagonal Close Packed ◽  
Dislocation Core Structure

ATOMISTIC MODELING OF THE EFFECT OF TWINS ON PLASTIC DEFORMATION IN NANOCRYSTALLINE COBALT

2005 ◽  
Vol 04 (04) ◽  
pp. 651-658
Author(s):  
G. P. ZHENG
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Molecular Dynamics Simulation ◽  
Tensile Deformation ◽  
Dynamics Simulation ◽  
Atomistic Modeling ◽  
Allotropic Transformation ◽  
Hexagonal Close Packed ◽  
Deformation Processes

It has been observed by experiments and computer simulations that deformation twinning and grown-in twins play important roles during the plastic deformation in nanocrystalline (nc) metals. In this study, molecular dynamics simulation is employed to investigate the role of grown-in twins in the tensile deformation of hexagonal close-packed nc cobalt. Plastic deformation processes in three types of nc samples, namely nc-cobalt without twins, with (0002) twin faults and with (1121) twins, are compared. The results show that the pre-existing twins significantly lower the mechanical strength and do not enhance the ductility of nc cobalt. Instead deformation induced hcp-to-fcc allotropic transformation is found to result in remarkable strain hardening in the modeled nc cobalt.

scholarly journals Probing the phonon mean free paths in dislocation core by molecular dynamics simulation

2021 ◽  
Vol 129 (5) ◽  
pp. 055103
Author(s):  
Yandong Sun ◽  
Yanguang Zhou ◽  
Ming Hu ◽  
G. Jeffrey Snyder ◽  
Ben Xu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dislocation Core ◽  
Dynamics Simulation
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