Michael Wu | Indiana University (original) (raw)

Papers by Michael Wu

Research paper thumbnail of Structural and Dynamic Properties of Water on the GaN Polar Surface

Research paper thumbnail of Thermal conductivity of carbon nanotubes with quantum correction via heat capacity Thermal conductivity of carbon nanotubes with quantum correction via heat capacity

The molecular dynamics simulation with the use of the empirical Tersoff potential is applied to s... more The molecular dynamics simulation with the use of the empirical Tersoff potential is applied to study the thermal characteristics of carbon nanotubes (CNTs). A thermal reservoir is devised to control the temperature and to exact the heat flux input. The quantum effect defining the precise temperature from the absolute zero Kelvin and up is included by applying phonon (boson) statistics to the specific heat. At low temperature, the CNT thermal conductivity increases with increasing temperature. After reaching its peak, which is limited by the length of the CNT, it decreases with temperature due to phonon-phonon interactions. The scaling law of thermal conductivity as a function of temperature and length is inferred from the simulation results, allowing prediction for CNTs of much longer length beyond what MD could simulate.

Research paper thumbnail of Physisorption Structure of Water on the GaN Polar Surface: Force Field Development and Molecular Dynamics Simulations

Research paper thumbnail of Folding of the Hydrogen Bond Network of H + (CH 3 OH) 7 with Rare Gas Tagging

Research paper thumbnail of Structural and Dynamic Properties of Water on the GaN Polar Surface

Research paper thumbnail of Thermal conductivity of carbon nanotubes with quantum correction via heat capacity Thermal conductivity of carbon nanotubes with quantum correction via heat capacity

The molecular dynamics simulation with the use of the empirical Tersoff potential is applied to s... more The molecular dynamics simulation with the use of the empirical Tersoff potential is applied to study the thermal characteristics of carbon nanotubes (CNTs). A thermal reservoir is devised to control the temperature and to exact the heat flux input. The quantum effect defining the precise temperature from the absolute zero Kelvin and up is included by applying phonon (boson) statistics to the specific heat. At low temperature, the CNT thermal conductivity increases with increasing temperature. After reaching its peak, which is limited by the length of the CNT, it decreases with temperature due to phonon-phonon interactions. The scaling law of thermal conductivity as a function of temperature and length is inferred from the simulation results, allowing prediction for CNTs of much longer length beyond what MD could simulate.

Research paper thumbnail of Physisorption Structure of Water on the GaN Polar Surface: Force Field Development and Molecular Dynamics Simulations

Research paper thumbnail of Folding of the Hydrogen Bond Network of H + (CH 3 OH) 7 with Rare Gas Tagging