scholarly journals Molecular dynamics study on relaxation properties of monolayer MoS2 nanoribbons

2016 ◽  
Vol 65 (16) ◽  
pp. 160201
Author(s):  
Wang Wei-Dong ◽  
Li Long-Long ◽  
Yang Chen-Guang ◽  
Li Ming-Lin
Keyword(s):  
Molecular Dynamics ◽  
Monolayer Mos2 ◽  
Relaxation Properties

Effect of vacancy distribution on the relaxation properties of graphene: a molecular dynamics study

2015 ◽  
Vol 10 (12) ◽  
pp. 693-695 ◽  
Author(s):  
Wenhu Wu ◽  
Jiuren Yin ◽  
Wei Xie ◽  
Wei Zhang ◽  
Bozhao Wu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Relaxation Properties ◽  
Vacancy Distribution

Effect of water nanoconfinement on the dynamic properties of paramagnetic colloidal complexes

2021 ◽  
Author(s):  
Luca Bergamasco ◽  
Matteo Morciano ◽  
Matteo Fasano
Keyword(s):  
Molecular Dynamics ◽  
Dynamic Properties ◽  
Mechanistic Modeling ◽  
Paramagnetic Complex ◽  
Local Enhancement ◽  
Relaxation Properties ◽  
Effect Of Water ◽  
Tumbling Motion

We analyze the tumbling motion of a solvated paramagnetic complex close to confining particles. Molecular dynamics data is interpreted via mechanistic modeling, towards design of improved nanovectors for local enhancement of relaxation properties.

scholarly journals Molecular dynamics study on the relaxation properties of bilayered graphene with defects

2017 ◽  
Vol 40 (6) ◽  
pp. 1255-1261
Author(s):  
Wei Zhang ◽  
Jiu-Ren Yin ◽  
Ping Zhang ◽  
Yan-Huai Ding ◽  
Yong Jiang
Keyword(s):  
Molecular Dynamics ◽  
Relaxation Properties

scholarly journals Effect of Compressive Prestrain on the Anti-Pressure and Anti-Wear Performance of Monolayer MoS2: A Molecular Dynamics Study

Nanomaterials ◽  
2020 ◽  
Vol 10 (2) ◽  
pp. 275 ◽  
Author(s):  
Ning Kong ◽  
Boyu Wei ◽  
Yuan Zhuang ◽  
Jie Zhang ◽  
Hongbo Li ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Friction Reduction ◽  
Dynamics Simulation ◽  
Monolayer Mos2 ◽  
Lubrication Mechanism ◽  
Load Bearing Capacity ◽  
Deformation Degree ◽  
Wear Performance ◽  
Out Of Plane ◽  
Reduction Effect

The effects of in-plane prestrain on the anti-pressure and anti-wear performance of monolayer MoS2 have been investigated by molecular dynamics simulation. The results show that monolayer MoS2 observably improves the load bearing capacity of Pt substrate. The friction reduction effect depends on the deformation degree of monolayer MoS2. The anti-pressure performance of monolayer MoS2 and Pt substrate is enhanced by around 55.02% when compressive prestrain increases by 4.03% and the anti-wear performance is notably improved as well. The improved capacities for resisting the in-plane tensile and out-of-plane compressive deformation are responsible for the outstanding lubrication mechanism of monolayer MoS2. This study provides guidelines for optimizing the anti-pressure and anti-wear performance of MoS2 and other two-dimension materials which are subjected to the in-plane prestrain.

Influence of line defects on relaxation properties of graphene: A molecular dynamics study

2015 ◽  
Vol 68 ◽  
pp. 102-106 ◽  
Author(s):  
Jiu-Ren Yin ◽  
Wen-Hu Wu ◽  
Wei Xie ◽  
Yan-Huai Ding ◽  
Ping Zhang
Keyword(s):  
Molecular Dynamics ◽  
Relaxation Properties ◽  
Line Defects

scholarly journals Relaxation properties of graphene nanoribbons at different ambient temperatures: a molecular dynamics study

2012 ◽  
Vol 61 (20) ◽  
pp. 200207
Author(s):  
Wang Wei-Dong ◽  
Hao Yue ◽  
Ji Xiang ◽  
Yi Cheng-Long ◽  
Niu Xiang-Yu
Keyword(s):  
Molecular Dynamics ◽  
Graphene Nanoribbons ◽  
Relaxation Properties ◽  
Ambient Temperatures
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