scholarly journals Cell dynamics simulations of coupled charge and magnetic phase transformation in correlated oxides

2021 ◽  
Vol 103 (3) ◽  
Author(s):  
Lingnan Shen ◽  
Gia-Wei Chern
Keyword(s):  
Phase Transformation ◽  
Magnetic Phase ◽  
Cell Dynamics ◽  
Dynamics Simulations

One-Step Synthesis and Magnetic Phase Transformation of Ln-TM-B Alloy by Chemical Reduction

2007 ◽  
Vol 0 (0) ◽  
pp. 0-0
Author(s):  
C.W. Kim ◽  
Y.H. Kim ◽  
H.G. Cha ◽  
D.K. Lee ◽  
Y.S. Kang
Keyword(s):  
Phase Transformation ◽  
Magnetic Phase ◽  
Chemical Reduction ◽  
One Step

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).

Stability of the magnetic phase transformation in shocked Fe-Ni alloys

1973 ◽  
Vol 28 (4) ◽  
pp. 941-943 ◽  
Author(s):  
R. W. Rohde ◽  
R. A. Graham
Keyword(s):  
Phase Transformation ◽  
Magnetic Phase ◽  
Ni Alloys

Accelerating Cell Dynamics Simulations of Soft Materials using CUDA-GPU

2017 ◽  
Vol 4 (1) ◽  
pp. 75-86
Author(s):  
Hamidreza Soltani ◽  
Dung Q. Ly ◽  
Waqar Ahmed
Keyword(s):  
Soft Materials ◽  
Cell Dynamics ◽  
Dynamics Simulations

scholarly journals Molecular Dynamics Simulations of Nanoparticle-Surface Collisions in Crystalline Silicon

2008 ◽  
Vol 1 ◽  
pp. 31-39 ◽  
Author(s):  
Paolo Valentini ◽  
Traian Dumitrica
Keyword(s):  
Molecular Dynamics ◽  
Phase Transformation ◽  
Crystalline Silicon ◽  
Low Energy ◽  
Coherent Phonon ◽  
Soft Landing ◽  
Microscopic Description ◽  
Nanoparticle Surface ◽  
Deformation Regime ◽  
Dynamics Simulations

We present a microscopic description for the impacting process of silicon nanospheres onto a silicon substrate. In spite of the relatively low energy regime considered (up to 1 eV/atom), the impacting process exhibits a rich behavior: A rigid Hertzian model is valid for speeds below 500 m/s, while a quasi-ellipsoidal deformation regime emerges at larger speeds. Furthermore, for speeds up to 1000 m/s the particle undergoes a soft landing and creates a long-lived coherent surface phonon. Higher speeds lead to a rapid attenuation of the coherent phonon due to a partial diamond cubic to-tin phase transformation occurring in the particle.

Magnetic phase transformation in La0.7-Bi Sr0.3MnO3 (0.25 ≤ x ≤ 0.40)

2020 ◽  
Vol 511 ◽  
pp. 166966
Author(s):  
Anita D. Souza ◽  
Sudhindra Rayaprol ◽  
Archana Sagdeo ◽  
A.K. Sinha ◽  
Mamatha Daivajna
Keyword(s):  
Phase Transformation ◽  
Magnetic Phase
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