A molecular dynamics study of dislocation-interphase boundary interactions in FCC/BCC phase transformation system

2020 ◽  
pp. 110141
Author(s):  
Zhipeng Sun ◽  
Fuzhi Dai ◽  
Wenzheng Zhang
Keyword(s):  
Molecular Dynamics ◽  
Phase Transformation ◽  
Interphase Boundary ◽  
Transformation System ◽  
Bcc Phase

scholarly journals Orientation Relationship in Fcc–Bcc Phase Transformation Kinetics of Iron: a Molecular Dynamics Study

2010 ◽  
Vol 50 (8) ◽  
pp. 1211-1216 ◽  
Author(s):  
Shinji Tateyama ◽  
Yasushi Shibuta ◽  
Toshio Suzuki
Keyword(s):  
Molecular Dynamics ◽  
Phase Transformation ◽  
Orientation Relationship ◽  
Transformation Kinetics ◽  
Phase Transformation Kinetics ◽  
Bcc Phase ◽  
Kinetics Of

Molecular dynamics study of the hcp–bcc phase transformation in nanocrystalline zirconium

2008 ◽  
Vol 99 (6) ◽  
pp. 626-631 ◽  
Author(s):  
Shifang Xiao ◽  
Mingzhi Wei ◽  
Wangyu Hu
Keyword(s):  
Molecular Dynamics ◽  
Phase Transformation ◽  
Bcc Phase

Temperature-induced hcp-bcc phase transformation in zirconium: A lattice and molecular-dynamics study based on anN-body potential

1989 ◽  
Vol 63 (20) ◽  
pp. 2244-2247 ◽  
Author(s):  
François Willaime ◽  
Carlo Massobrio
Keyword(s):  
Molecular Dynamics ◽  
Phase Transformation ◽  
Body Potential ◽  
Bcc Phase

Molecular-dynamics investigation of the fcc→bcc phase transformation in Fe

2008 ◽  
Vol 41 (3) ◽  
pp. 297-304 ◽  
Author(s):  
Cemal Engin ◽  
Herbert M. Urbassek
Keyword(s):  
Molecular Dynamics ◽  
Phase Transformation ◽  
Bcc Phase

A molecular dynamics study of the fcc–bcc phase transformation kinetics of iron

2008 ◽  
Vol 59 (9) ◽  
pp. 971-974 ◽  
Author(s):  
Shinji Tateyama ◽  
Yasushi Shibuta ◽  
Toshio Suzuki
Keyword(s):  
Molecular Dynamics ◽  
Phase Transformation ◽  
Transformation Kinetics ◽  
Phase Transformation Kinetics ◽  
Bcc Phase ◽  
Kinetics Of

Temperature-induced phase transformation of Fe1-xNix alloys: molecular-dynamics approach

2015 ◽  
Vol 88 (7) ◽  
Author(s):  
Emilia Sak-Saracino ◽  
Herbert M. Urbassek
Keyword(s):  
Molecular Dynamics ◽  
Phase Transformation

A molecular dynamics study on formation of the self-accommodation microstructure during phase transformation

2019 ◽  
Vol 35 (11) ◽  
pp. 2638-2646 ◽  
Author(s):  
Zhi-peng Sun ◽  
Jin-yu Zhang ◽  
Fu-zhi Dai ◽  
Ben Xu ◽  
Wen-zheng Zhang
Keyword(s):  
Molecular Dynamics ◽  
Phase Transformation ◽  
The Self

scholarly journals Effects of temperatures on pressure-induced structural changes in amorphous Si: A molecular-dynamics study

10.29007/6kp3 ◽  
2020 ◽  
Author(s):  
Renji Mukuno ◽  
Manabu Ishimaru
Keyword(s):  
Molecular Dynamics ◽  
Phase Transformation ◽  
Amorphous Phase ◽  
Structural Changes ◽  
Interatomic Potential ◽  
Activation Barrier ◽  
Distribution Functions ◽  
High Density ◽  
Angle Distribution ◽  
Dynamics Simulations

The structural changes of amorphous silicon (a-Si) under compressive pressure were examined by molecular-dynamics simulations using the Tersoff interatomic potential. a-Si prepared by melt-quenching methods was pressurized up to 30 GPa under different temperatures (300K and 500K). The density of a-Si increased from 2.26 to 3.24 g/cm3 with pressure, suggesting the occurrence of the low-density to high-density amorphous phase transformation. This phase transformation occurred at the lower pressure with increasing the temperature because the activation barrier for amorphous-to-amorphous phase transformation could be exceeded by thermal energy. The coordination number increased with pressure and time, and it was saturated at different values depending on the pressure. This suggested the existence of different metastable atomic configurations in a-Si. Atomic pair-distribution functions and bond-angle distribution functions suggested that the short-range ordered structure of high-density a-Si is similar to the structure of the high-pressure phase of crystalline Si (β-tin and Imma structures).

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