scholarly journals FEATURES OF THE Σ5 AND Σ9 GRAIN BOUNDARIES MIGRATION IN BCC AND FCC METALS UNDER SHEAR LOADING – A MOLECULAR DYNAMICS STUDY

2017 ◽  
Vol 15 (2) ◽  
pp. 285
Author(s):  
Andrey I. Dmitriev ◽  
Anton Yu. Nikonov
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Molecular Dynamics Simulation ◽  
Grain Boundaries ◽  
Shear Loading ◽  
External Stress ◽  
Dynamics Simulation ◽  
Fcc Metals ◽  
Symmetrical Tilt ◽  
Fcc Metal

Molecular dynamics simulation of metallic bicrystals has been carried out to investigate the behavior of the symmetrical tilt grain boundaries under shear loading. Σ5 and Σ9 grain boundaries in Ni and α-Fe were analyzed. It is found that behavior of the defect depends not only on the structure of boundaries but also on the type of crystal lattice. In particular it is shown that under external stress the grain boundary (GB) behaves differently in the BCC and FCC metal. A comparison of the values of displacement of various types of GB due to their migration caused by shear deformation is carried out. The results can help us to understand the features of the plastic deformation development in nanoscale polycrystals under shear loading.

Molecular dynamics simulation studies on the plastic behaviors of an iron nanowire under torsion

RSC Advances ◽  
2016 ◽  
Vol 6 (34) ◽  
pp. 28792-28800 ◽  
Author(s):  
Chong Qiao ◽  
Yanli Zhou ◽  
Xiaolin Cai ◽  
Weiyang Yu ◽  
Bingjie Du ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Molecular Dynamics Simulation ◽  
Deformation Mechanism ◽  
Driving Force ◽  
Dynamics Simulation ◽  
Simulation Studies ◽  
Plastic Deformation Mechanism ◽  
Constant Torsion ◽  
External Driving

The plastic deformation mechanism of iron (Fe) nanowires under torsion is studied using the molecular dynamics (MD) method by applying an external driving force at a constant torsion speed.

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