Influence of Surface Defects on the Thermal Conductivity of Hexagonal Boron Nitride/Poly(dimethylsiloxane) Nanocomposites: A Molecular Dynamics Simulation

Langmuir ◽  
2021 ◽  
Author(s):  
Wenfeng Zhang ◽  
Haoxiang Li ◽  
Hanyu Jiang ◽  
Haoyu Wu ◽  
Yonglai Lu ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Boron Nitride ◽  
Surface Defects ◽  
Hexagonal Boron Nitride ◽  
Dynamics Simulation

Screening two dimensional materials for the transportation and delivery of diverse genetic materials

Nanoscale ◽  
2020 ◽  
Vol 12 (2) ◽  
pp. 703-719 ◽  
Author(s):  
Titas Kumar Mukhopadhyay ◽  
Ayan Datta
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Boron Nitride ◽  
Nucleic Acids ◽  
Hexagonal Boron Nitride ◽  
Dynamics Simulation ◽  
Two Dimensional ◽  
Classical Molecular Dynamics ◽  
Two Dimensional Materials

Classical molecular dynamics simulation was employed for the benchmarking of h2D-C2N, graphene and hexagonal boron nitride (h-BN) toward the adsorption, preservation and targeting of various classes of nucleic acids and the delivery phenomena was theoretically modelled.

Study of lattice thermal conductivity of tungsten containing bubbles by molecular dynamics simulation

2020 ◽  
Vol 161 ◽  
pp. 112004
Author(s):  
Hongyu Zhang ◽  
Jizhong Sun ◽  
Yingmin Wang ◽  
Thomas Stirner ◽  
Ali Y. Hamid ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Lattice Thermal Conductivity ◽  
Dynamics Simulation

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
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