Atom-by-Atom and Sheet-by-Sheet Chemical Mechanical Polishing of Diamond Assisted by OH Radicals: A Tight-Binding Quantum Chemical Molecular Dynamics Simulation Study

2021 ◽  
Vol 13 (34) ◽  
pp. 41231-41237
Author(s):  
Kentaro Kawaguchi ◽  
Yang Wang ◽  
Jingxiang Xu ◽  
Yusuke Ootani ◽  
Yuji Higuchi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Chemical Mechanical Polishing ◽  
Quantum Chemical ◽  
Tight Binding ◽  
Mechanical Polishing ◽  
Dynamics Simulation ◽  
Oh Radicals ◽  
Quantum Chemical Molecular Dynamics

Cooperative Roles of Chemical Reactions and Mechanical Friction in Chemical Mechanical Polishing of Gallium Nitride Assisted by OH Radicals: Tight-Binding Quantum Chemical Molecular Dynamics Simulations

2021 ◽  
Author(s):  
Kentaro Kawaguchi ◽  
Yang Wang ◽  
Jingxiang Xu ◽  
Yusuke Ootani ◽  
Yuji Higuchi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Gallium Nitride ◽  
Chemical Mechanical Polishing ◽  
Quantum Chemical ◽  
Laser Diodes ◽  
Tight Binding ◽  
Mechanical Polishing ◽  
Oh Radicals ◽  
Dynamics Simulations ◽  
Quantum Chemical Molecular Dynamics

Chemical mechanical polishing (CMP) is a key manufacturing process for applying gallium nitride (GaN), especially the Ga-face GaN, to semiconductor devices such as laser diodes. However, the CMP efficiency for...

Ring Opening of Methylenecyclopropane over Lanthanocene Catalyst:  A Quantum-Chemical Molecular Dynamics Simulation Study

2003 ◽  
Vol 22 (11) ◽  
pp. 2181-2183 ◽  
Author(s):  
Yi Luo ◽  
Parasuraman Selvam ◽  
Yuki Ito ◽  
Seiichi Takami ◽  
Momoji Kubo ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Quantum Chemical ◽  
Ring Opening ◽  
Dynamics Simulation ◽  
Quantum Chemical Molecular Dynamics
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