787 citations · 5.8k across the 76 of their papers we have counts for
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Strain-rate and temperature-driven transition in the shear transformation zone for two-dimensional amorphous solids
Penghui Cao, Harold S. Park, Xi Lin
We couple the recently developed self-learning metabasin escape algorithm, which enables efficient exploration of the potential energy surface (PES), with shear deformation to eluc…
Density functional theory calculation of edge stresses in monolayer MoS
Zenan Qi, Penghui Cao, Harold S. Park
We utilize density functional theory to calculate the edge energy and edge stress for monolayer MoS nanoribbons. In contrast to previous reports for graphene, for both armcha…
FPU physics with nanomechanical graphene resonators: intrinsic relaxation and thermalization from flexural mode coupling
Daniel Midtvedt, Zenan Qi, Alexander Croy +2
Thermalization in nonlinear systems is a central concept in statistical mechanics and has been extensively studied theoretically since the seminal work of Fermi, Pasta and Ulam (FP…
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…