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MOLECULAR DYNAMICS-BASED SIMULATION METHOD, PROGRAM, AND SIMULATION DEVICE

机译:基于分子动力学的仿真方法,程序和仿真装置

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
机译:解决的问题:为具有流场的系统提供基于分子动力学的仿真方法,该方法允许控制温度解决方案:当基于分子动力学模拟包含多个形成流场的粒子的粒子系统时,可控制温度基于每个粒子在粒子位置的粒子速度和流场流速之间的差异,使粒子系统的温度接近目标温度。图1

著录项

  • 公开/公告号JP2017224197A

    专利类型

  • 公开/公告日2017-12-21

    原文格式PDF

  • 申请/专利权人 SUMITOMO HEAVY IND LTD;

    申请/专利号JP2016119871

  • 发明设计人 HIROSE RYOTA;

    申请日2016-06-16

  • 分类号G06F19;

  • 国家 JP

  • 入库时间 2022-08-21 13:10:19

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