Molecular Dynamics Simulation of the Low-Temperature Partial Oxidation of CH4

2009 ◽  
Vol 113 (8) ◽  
pp. 1539-1547 ◽  
Author(s):  
Alister J. Page ◽  
Behdad Moghtaderi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Low Temperature ◽  
Partial Oxidation ◽  
Dynamics Simulation

Determination of ion quantity by using low-temperature ion density theory and molecular dynamics simulation

2015 ◽  
Vol 24 (11) ◽  
pp. 113703 ◽  
Author(s):  
Li-Jun Du ◽  
Hong-Fang Song ◽  
Hai-Xia Li ◽  
Shao-Long Chen ◽  
Ting Chen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Low Temperature ◽  
Dynamics Simulation ◽  
Ion Density

scholarly journals Atomic Structure and Energy Distribution of Collapsed Carbon Nanotubes of Different Chiralities

2015 ◽  
Vol 2015 ◽  
pp. 1-5 ◽  
Author(s):  
Julia A. Baimova ◽  
Qin Fan ◽  
Liangcai Zeng ◽  
Zhigang Wang ◽  
Sergey V. Dmitriev ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Distribution Function ◽  
Molecular Dynamics Simulation ◽  
Low Temperature ◽  
Energy Distribution ◽  
Ground State ◽  
Large Diameter ◽  
Dynamics Simulation ◽  
Nanotube Chirality

For carbon nanotubes of sufficiently large diameter at sufficiently low temperature, due to the action of the van der Waals forces, the ground state is a bilayer graphene with closed edges, the so-called collapsed configuration. Molecular dynamics simulation of collapsed carbon nanotubes is performed. The effect of length, diameter, and chirality of the nanotubes on their properties is investigated. It is shown that collapsed nanotubes after relaxation have rippled structure which is strongly dependent on the nanotube chirality. The structural properties are studied by calculating the radial distribution function and energy distribution along various regions in the collapsed carbon nanotubes.

Acoustic resonance in periodically sheared glass: damping due to plastic events

Soft Matter ◽  
2020 ◽  
Vol 16 (40) ◽  
pp. 9357-9368
Author(s):  
Takeshi Kawasaki ◽  
Akira Onuki
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Low Temperature ◽  
Acoustic Resonance ◽  
Dynamics Simulation ◽  
Temperature Model ◽  
Boundary Wall ◽  
Model Glass ◽  
Small Periodic

Using molecular dynamics simulation, we study acoustic resonance in a low-temperature model glass by applying a small periodic shear at a boundary wall.

Molecular dynamics simulation of Al–SiO2 sandwich nanostructure melting and low-temperature energetic reaction behavior

RSC Advances ◽  
2016 ◽  
Vol 6 (64) ◽  
pp. 59313-59318 ◽  
Author(s):  
Jinping Zhang ◽  
Yubing Si ◽  
Can Leng ◽  
Baocheng Yang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Low Temperature ◽  
Force Field ◽  
Melting Temperature ◽  
Md Simulations ◽  
Dynamics Simulation ◽  
Reactive Force ◽  
Reactive Force Field ◽  
Reaction Behavior

The heating and low temperature thermite reactions of the Al/SiO2 sandwich nanostructure are investigated by MD simulations in combination with the reactive force field. The results show that the melting temperature of this structure is ∼1400 K.

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