Molecular dynamics simulations of shock-induced deformation twinning of a body-centered-cubic metal

2013 ◽  
Vol 88 (10) ◽  
Author(s):  
A. Higginbotham ◽  
M. J. Suggit ◽  
E. M. Bringa ◽  
P. Erhart ◽  
J. A. Hawreliak ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Deformation Twinning ◽  
Body Centered Cubic ◽  
Dynamics Simulations

scholarly journals Deformation twinning and dislocation processes in nanotwinned copper by molecular dynamics simulations

2018 ◽  
Vol 142 ◽  
pp. 59-71 ◽  
Author(s):  
Xing Zhao ◽  
Cheng Lu ◽  
Anh Kiet Tieu ◽  
Lihua Zhan ◽  
Minghui Huang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Deformation Twinning ◽  
Dynamics Simulations

scholarly journals Shape Stability of Metallic Nanoplates: A Molecular Dynamics Study

2019 ◽  
Vol 14 (1) ◽  
Author(s):  
Xiwen Chen ◽  
Rao Huang ◽  
Tien-Mo Shih ◽  
Yu-Hua Wen
Keyword(s):  
Molecular Dynamics ◽  
Shear Stress ◽  
Molecular Dynamics Simulations ◽  
Shape Evolution ◽  
Body Centered Cubic ◽  
Shape Stability ◽  
Subsequent Formation ◽  
Dynamics Simulations ◽  
Saddle Shape ◽  
Functional Versatility

AbstractMetallic nanoplates have attracted widespread interests owing to their functional versatility, which relies heavily on their morphologies. In this study, the shape stability of several metallic nanoplates with body-centered-cubic (bcc) lattices is investigated by employing molecular dynamics simulations. It is found that the nanoplate with (110) surface planes is the most stable compared to the ones with (111) and (001) surfaces, and their shapes evolve with different patterns as the temperature increases. The formation of differently orientated facets is observed in the (001) nanoplates, which leads to the accumulation of shear stress and thus results in the subsequent formation of saddle shape. The associated shape evolution is quantitatively characterized. Further simulations suggest that the shape stability could be tuned by facet orientations, nanoplate sizes (including diameter and thickness), and components.

scholarly journals Structure and Phase Transition Features of Monoclinic and Tetragonal Phases in U–Mo Alloys

Crystals ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 515
Author(s):  
Lada Kolotova ◽  
Ilia Gordeev
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Structural Properties ◽  
Lattice Constant ◽  
Central Atom ◽  
Body Centered Cubic ◽  
Α Phase ◽  
Dynamics Simulations ◽  
Molybdenum Concentration

Using molecular dynamics simulations, we studied the structural properties of orthorhombic, monoclinic, and body-centered tetragonal (bct) phases of U–Mo alloys. A sequence of shear transformations between metastable phases takes place upon doping of uranium with molybdenum from pure α -U: orthorhombic α ′ → monoclinic α ″ → bct γ 0 → body-centered cubic (bcc) with doubled lattice constant γ s → bcc γ . The effects of alloy content on the structure of these phases have been investigated. It has been shown that increase in molybdenum concentration leads to an increase in the monoclinic angle and is more similar to the γ 0 -phase. In turn, tetragonal distortion of the γ 0 -phase lattice with displacement of a central atom in the basic cell along the <001> direction makes it more like the α ″ -phase. Both of these effects reduce the necessary shift in atomic positions for the α ″ → γ 0 -phase transition.

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