Improved Fast Time Reversible Algorithm and Its Applications to Large-Scale Simulation of Ice
Yasuhiro Kajima, Shūji Ogata · 2015
A time-reversible algorithm for the rotation of rigid body in the quaternion representation named "Improved Fast Time-reversible algorithm (IFT)" is proposed.In a preceding paper, we have proposed "Fast Time-reversible algorithm (FT)" that is not only time reversible but also conserves the total energy well and one of the simplest time reversible ones.However, the algorithm involves a square root, which yields the risk of computer crash at extreme high temperatures.The IFT gets rid of the risk of crash and the stability is no less than the Fast Timereversible algorithm.The IFT can be used more widely than FT.We also introduce some results concerning quasi liquid layer obtained from large-scale simulations.The simulations were performed by the use of IFT algorithm.