scholarly journals Structural Analysis of Water/Sodium Silicate Glass Interface Model by Molecular Dynamics Simulation

2019 ◽  
Vol 18 (5) ◽  
pp. 244-247
Author(s):  
Keisuke HOSHINO ◽  
Naoya SAWAGUCHI
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structural Analysis ◽  
Sodium Silicate ◽  
Silicate Glass ◽  
Dynamics Simulation ◽  
Interface Model ◽  
Sodium Silicate Glass ◽  
Glass Interface

Structural Analysis of Cellulose Triacetate I by Molecular Dynamics Simulation

2004 ◽  
Vol 60 (3) ◽  
pp. 75-80
Author(s):  
Yukari Numata ◽  
Haruo Kumagai ◽  
Hiroyuki Kono ◽  
Tomoki Erata ◽  
Mitsuo Takai
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structural Analysis ◽  
Cellulose Triacetate ◽  
Dynamics Simulation

Molecular Dynamics Simulation of Al2O3-SiC Interface

2011 ◽  
Vol 697-698 ◽  
pp. 192-197 ◽  
Author(s):  
Ting Ting Zhou ◽  
Chuan Zhen Huang ◽  
Han Lian Liu ◽  
Bin Zou ◽  
Hong Tao Zhu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Interfacial Energy ◽  
Diffusion Coefficients ◽  
Diffusion Mechanism ◽  
Dynamics Simulation ◽  
Interface Model ◽  
Relationship Of ◽  
The Relationship ◽  
And Diffusion

The interfacial energy and diffusion phenomenon of the Al2O3(012)-SiC (011) interface model are studied based on molecular dynamics. The interfacial energy increases firstly until reaches its maximum 0.459J/m2at the temperature of 1500K and then decreases. The relationship of diffusion coefficients for each kind of atoms is C>Si>O>Al. Diffusion coefficients of atoms increase at first and then decrease as the temperature goes up. This indicates the diffusion mechanism has been changed during the temperature rising process.

scholarly journals Structural Analysis of Na2O-B2O3 Melts by Pulsed Neutron Total Scattering Method and Molecular Dynamics Simulation.

1993 ◽  
Vol 33 (1) ◽  
pp. 188-194 ◽  
Author(s):  
Yoshifumi Kita ◽  
Masakatsu Misawa ◽  
Norimasa Umesaki ◽  
Tadashi Kirihara ◽  
Toshiharu Fukunaga ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structural Analysis ◽  
Dynamics Simulation ◽  
Scattering Method ◽  
Total Scattering ◽  
Pulsed Neutron ◽  
Neutron Total Scattering
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