Simulation method, program, and simulation device by molecular dynamics method

摘要

PROBLEM TO BE SOLVED: To provide a molecular dynamics-based simulation method for systems with flow fields, which allows for controlling temperature.SOLUTION: When simulating a particle system containing a plurality of particles forming a flow field based on molecular dynamics, temperature is controlled based on difference between particle velocity and flow velocity of the flow field at a particle position for each particle to bring the temperature of the particle system close to a target temperature.SELECTED DRAWING: Figure 1