Predicting shear viscosity of 1,1-diphenylethane at high pressures by molecular dynamics methods

2021 ◽  
pp. 113100
Author(s):  
Nikolay D. Kondratyuk ◽  
Vasily V. Pisarev
Keyword(s):  
Molecular Dynamics ◽  
Shear Viscosity ◽  
High Pressures ◽  
Molecular Dynamics Methods

Molecular Dynamics Simulations on Melting of Aluminum

2013 ◽  
Vol 423-426 ◽  
pp. 935-938 ◽  
Author(s):  
Ji Feng Li ◽  
Xiao Ping Zhao ◽  
Jian Liu
Keyword(s):  
Molecular Dynamics ◽  
Melting Point ◽  
Molecular Dynamics Simulations ◽  
High Pressures ◽  
Ambient Pressure ◽  
Initial Porosity ◽  
Equilibrium Melting Point ◽  
Porosity Effect ◽  
Dynamics Simulations ◽  
Experimental Melting Point

Molecular dynamics simulations were performed to calculate the melting points of perfect crystalline aluminum to high pressures. Under ambientpressure, there exhibits about 20% superheating before melting compared to the experimental melting point. Under high pressures, thecalculated melting temperature increases with the pressure but at a decreasing rate, which agrees well with the Simon's melting equation. Porosity effect was also studied for aluminum crystals with various initial porosity at ambient pressure, which shows that the equilibrium melting point decreases with the initial porosity as experiments expect.

Microstructure evolution and plastic deformation of Ni47Co53 alloy under tension

CrystEngComm ◽  
2022 ◽  
Author(s):  
ruibo ma ◽  
Lili Zhou ◽  
Yong-Chao Liang ◽  
Ze-an Tian ◽  
Yun-Fei Mo ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Rapid Solidification ◽  
Microstructural Evolution ◽  
Microstructure Evolution ◽  
Cooling Rates ◽  
Solidification Processes ◽  
Molecular Dynamics Methods

To investigate microstructural evolution and plastic deformation under tension conditions, the rapid solidification processes of Ni47Co53 alloy are first simulated by molecular dynamics methods at cooling rates of 1011, 1012...

scholarly journals Shear Viscosity Computed from the Finite-Size Effects of Self-Diffusivity in Equilibrium Molecular Dynamics

2018 ◽  
Vol 14 (11) ◽  
pp. 5959-5968 ◽  
Author(s):  
Seyed Hossein Jamali ◽  
Remco Hartkamp ◽  
Christos Bardas ◽  
Jakob Söhl ◽  
Thijs J. H. Vlugt ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Shear Viscosity ◽  
Size Effects ◽  
Finite Size ◽  
Finite Size Effects
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