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Adsorbate Migration Effects on Continuous and Discontinuous Temperature-Dependent Transitions in the Quality Factors of Graphene Nanoresonators
Jin-Wu Jiang, Bing-Shen Wang, Harold S. Park +1
We perform classical molecular dynamics simulation to investigate the mechanisms underpinning the unresolved, experimentally-observed temperature-dependent scaling transition in th…
Elastic Bending Modulus of Single-Layer Molybdenum Disulphide (MoS2): Finite Thickness Effect
Jin-Wu Jiang, Zenan Qi, Harold S. Park +1
We derive, from an empirical interaction potential, an analytic formula for the elastic bending modulus of single-layer MoS2 (SLMoS2). By using this approach, we do not need to def…
Molecular Dynamics Simulations of Single-Layer Molybdenum Disulphide (MoS2): Stillinger-Weber Parametrization, Mechanical Properties, and Thermal Conductivity
Jin-Wu Jiang, Harold S. Park, Timon Rabczuk
We present a parameterization of the Stillinger-Weber potential to describe the interatomic interactions within single-layer MoS2 (SLMoS2). The potential parameters are fitted to a…
Preserving the Q-Factors of ZnO Nanoresonators via Polar Surface Reconstruction
Jin-Wu Jiang, Harold S. Park, Timon Rabczuk
We perform molecular dynamics simulations to investigate the effect of polar surfaces on the quality (Q)-factors of zinc oxide (ZnO) nanowire-based nanoresonators. We find that the…
Polar Surface Effects on the Thermal Conductivity in ZnO Nanowires: a Shell-Like Surface Reconstruction-Induced Preserving Mechanism
Jin-Wu Jiang, Harold S. Park, Timon Rabczuk
We perform molecular dynamics (MD) simulations to investigate the effect of polar surfaces on the thermal transport in zinc oxide (ZnO) nanowires. We find that the thermal conducti…
Modulation of Thermal Conductivity in Kinked Silicon Nanowires: Phonon Interchanging and Pinching Effects
Jin-Wu Jiang, Nuo Yang, Bing-Shen Wang +1
We perform molecular dynamics simulations to investigate the reduction of the thermal conductivity by kinks in silicon nanowires. The reduction percentage can be as high as 70% at…