Molecular dynamics simulations of martensitic fcc-to-hcp phase transformations in strained ultrathin metallic films

2008 ◽  
Vol 78 (19) ◽  
Author(s):  
Kedarnath Kolluri ◽  
M. Rauf Gungor ◽  
Dimitrios Maroudas
Keyword(s):  
Molecular Dynamics ◽  
Phase Transformations ◽  
Molecular Dynamics Simulations ◽  
Metallic Films ◽  
Dynamics Simulations

Effects of tensile temperatures on phase transformations in zirconium by molecular dynamics simulations

2021 ◽  
Vol 28 (7) ◽  
pp. 1932-1945
Author(s):  
Ke-ying An ◽  
Xiao-qin Ou ◽  
Xing-long An ◽  
Hao Zhang ◽  
Song Ni ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Phase Transformations ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations

Determining short-lived solid forms during phase transformations using molecular dynamics

CrystEngComm ◽  
2019 ◽  
Vol 21 (27) ◽  
pp. 4020-4024 ◽  
Author(s):  
Anders S. Larsen ◽  
Mark A. Olsen ◽  
Hadeel Moustafa ◽  
Flemming H. Larsen ◽  
Stephan P. A. Sauer ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Phase Transformations ◽  
Molecular Dynamics Simulations ◽  
Crystal Structures ◽  
High Energy ◽  
Dynamics Simulations

We demonstrate that elusive high-energy metastable crystal structures can be determined from molecular dynamics simulations.

Effect of bct-5 Si on the Indentation of Monocrystalline Silicon

2011 ◽  
Vol 117-119 ◽  
pp. 666-669 ◽  
Author(s):  
Kausala Mylvaganam ◽  
Liang Chi Zhang
Keyword(s):  
Molecular Dynamics ◽  
Phase Transformations ◽  
Molecular Dynamics Simulations ◽  
Crystalline Silicon ◽  
Monocrystalline Silicon ◽  
Loading Conditions ◽  
Dynamics Simulations

Mono-crystalline silicon experiences various phase transformations under different loading conditions. This paper reveals, with the aid of molecular dynamics simulations, that scratching the silicon {001} surface along the [110] direction under a load of 0.8 µN or more would produce stable 5 coordinated body centered tetragonal (bct-5) silicon in the subsurface. By examining the effect of this bct-5 silicon on indentation, it was found that the resistant to deformation of bct-5 silicon is higher than a-Si but lower than diamond Si.

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