Effect of kinetic and configurational thermostats on calculations of the first normal stress coefficient in nonequilibrium molecular dynamics simulations
journal contribution
posted on 2024-11-01, 12:05authored byPeter DaivisPeter Daivis, Benjamin Dalton, Tetsuya Morishita
Thermostats for homogeneous nonequilibrium molecular dynamics simulations are usually designed to control the kinetic temperature, but it is now possible control any combination of many different types of temperature, including the configurational and kinetic temperatures and their directional components.