Molecular Dynamics Study of Si Thin Film Formation Process Using Reactive Force-Field

2019 ◽  
Vol 2019 (0) ◽  
pp. J05411
Author(s):  
Naoya UENE ◽  
Takuya MABUCHI ◽  
Masaru ZAITSU ◽  
Shigeo YASUHARA ◽  
Takashi TOKUMASU
Keyword(s):  
Thin Film ◽  
Molecular Dynamics ◽  
Force Field ◽  
Formation Process ◽  
Film Formation ◽  
Reactive Force ◽  
Reactive Force Field ◽  
Thin Film Formation ◽  
Si Thin Film

Molecular Dynamics Study of the Thin Film Formation Process

1991 ◽  
Vol 6 (4-6) ◽  
pp. 333-342 ◽  
Author(s):  
Yasushi Sasajima ◽  
Koichi Suzuki ◽  
Satoru Ozawa ◽  
Ryoichi Yamamoto
Keyword(s):  
Thin Film ◽  
Molecular Dynamics ◽  
Formation Process ◽  
Film Formation ◽  
Thin Film Formation

Molecular simulation study on the flexibility in the interpenetrated metal–organic framework LMOF-201 using reactive force field

2020 ◽  
Vol 8 (32) ◽  
pp. 16385-16391
Author(s):  
Ankit Agrawal ◽  
Mayank Agrawal ◽  
Donguk Suh ◽  
Yunsheng Ma ◽  
Ryotaro Matsuda ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Force Field ◽  
Structural Changes ◽  
Metal Organic Framework ◽  
Reactive Force ◽  
Grand Canonical Monte Carlo ◽  
Reactive Force Field ◽  
Metal Organic ◽  
Dynamics Simulations ◽  
Grand Canonical

The guest-induced structural changes in LMOF-201 were demonstrated by using reactive force field combined with Grand Canonical Monte Carlo and molecular dynamics simulations.

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