Analysis of mechanical and thermal characterization of hexagonal boron nitride using a molecular dynamics simulation with the new Dreiding force field

2021 ◽  
pp. 1-9
Author(s):  
Yuna Oh ◽  
Hana Jung ◽  
Kwak Jin Bae ◽  
Yonjig Kim ◽  
Jaesang Yu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Boron Nitride ◽  
Force Field ◽  
Hexagonal Boron Nitride ◽  
Thermal Characterization ◽  
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.

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