225 citations · 446 across the 10 of their papers we have counts for
10 papers
Influence of Boundaries and Thermostatting on Nonequilibrium Molecular Dynamics Simulations of Heat Conduction in Solids
Zhen Li, Shiyun Xiong, Charles Sievers +7
Nonequilibrium molecular dynamics (NEMD) has been extensively used to study thermal transport at various length scales in many materials. In this method, two local thermostats at d…
Thermal transport properties of single-layer black phosphorous from extensive molecular dynamics simulations
Ke Xu, Zheyong Fan, Jicheng Zhang +2
We compute the anisotropic in-plane thermal conductivity of suspended single-layer black phosphorous (SLBP) using three molecular dynamics (MD) based methods, including the equilib…
Molecular Dynamics Simulations for Anisotropic Thermal Conductivity of Borophene
Yue Jia, Chun Li, Jin-Wu Jiang +3
The present work carries out molecular dynamics simulations to compute the thermal conductivity of the borophene nanoribbon and the borophene nanotube using the Muller-Plathe appro…
Interfacial thermal conductance in graphene/black phosphorus heterogeneous structures
Yang Chen, Yingyan Zhang, Kun Cai +4
Graphene, as a passivation layer, can be used to protect the black phosphorus from the chemical reaction with surrounding oxygen and water. However, black phosphorus and graphene h…
Mechanical behavior of composite double wall nanotubes from carbon and phosphorous
Kun Cai, Jing Wan, Likui Yang +1
Black phosphorus is not stable when it is exposed to air. When covered or terminated by single layer carbon atoms, such as graphene carbon nanotube, it is more strongly protected i…
Strength and Stability Analysis of a Single Walled Black Phosphorus Tube under Axial Compression
Kun Cai, Jing Wan, Ning Wei +1
Few-layered black phosphorus materials recently attract much attention due to its special electronic properties. As a Consequence, the nano-tube from a single-layer black phosphoru…