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

Thermal conductivity of sawtooth-like graphene nanoribbons: A molecular dynamics study

2012 ◽  
Vol 112 (12) ◽  
pp. 123508 ◽  
Author(s):  
Hui-Sheng Zhang ◽  
Zhi-Xin Guo ◽  
Xin-Gao Gong ◽  
Jue-Xian Cao
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Graphene Nanoribbons

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

scholarly journals Impact of vacancies on the thermal conductivity of graphene nanoribbons: A molecular dynamics simulation study

AIP Advances ◽  
2017 ◽  
Vol 7 (1) ◽  
pp. 015112 ◽  
Author(s):  
Maliha Noshin ◽  
Asir Intisar Khan ◽  
Ishtiaque Ahmed Navid ◽  
H. M. Ahsan Uddin ◽  
Samia Subrina
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Graphene Nanoribbons ◽  
Dynamics Simulation

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.

Molecular dynamics simulation for interlayer interactions of graphene nanoribbons with multiple layers

2016 ◽  
Vol 98 ◽  
pp. 228-234 ◽  
Author(s):  
Reza Nazemnezhad ◽  
Mojtaba Zare ◽  
Shahrokh Hosseini-Hashemi ◽  
Hassan Shokrollahi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Graphene Nanoribbons ◽  
Dynamics Simulation

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

Thermal Rectification in Graphene and Carbon Nanotube Systems Using Molecular Dynamics Simulations

2011 ◽  
Author(s):  
Ajit K. Vallabhaneni ◽  
Jiuning Hu ◽  
Yong P. Chen ◽  
Xiulin Ruan
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Temperature Difference ◽  
Graphene Nanoribbons ◽  
Md Simulations ◽  
System Size ◽  
Heat Current ◽  
Thermal Rectification ◽  
Mean Temperature ◽  
Rectification Factor

We investigate the thermal rectification phenomena in asymmetric graphene and carbon nanotube systems using molecular dynamics (MD) simulations. The effects of various parameters, including mean temperature, temperature difference, and system size on rectification factor have been studied. In homogenous triangular graphene nanoribbons (T-GNR), the heat current is normally higher from wide to narrow end than that in the opposite direction, resulting in a positive rectification factor. The rectification factor increases further for a double layered T-GNR. It is also found that varying the parameters like mean temperature can result in reverse of the sign of thermal rectification factor. In the case of carbon nanotube (CNT)–silicon system, the heat current is higher when heat flows from CNT to silicon. The thermal rectification factor is almost independent of the diameter of CNT. In both cases, the rectification factor increases with the imposed temperature difference.

Sign in / Sign up

Export Citation Format

Share Document