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A Stillinger-Weber Potential for Single-Layer Black Phosphorus, and the Importance of Cross-Pucker Interactions for Negative Poisson's Ratio and Edge Stress-Induced Bending
Jin-Wu Jiang, Timon Rabczuk, Harold S. Park
The distinguishing structural feature of single-layer black phosphorus is its puckered structure, which leads to many novel physical properties. In this work, we first present a ne…
Phonon Modes in Single-Walled Molybdenum Disulphide (MoS2) Nanotubes: Lattice Dynamics Calculation and Molecular Dynamics Simulation
Jin-Wu Jiang, Bing-Shen Wang, Timon Rabczuk
We study the phonon modes in single-walled MoS nanotubes via the lattice dynamics calculation and molecular dynamics simulation. The phonon spectra for tubes of arbitrary chi…
MoS2 Nanoresonators: Intrinsically Better Than Graphene?
Jin-Wu Jiang, Harold S. Park, Timon Rabczuk
We perform classical molecular dynamics simulations to examine the intrinsic energy dissipation in single-layer MoS nanoresonators, where a point of emphasis is to compare it…