摘要
分子动力学是用来描述原子尺度行为的一种重要方法,但是如果尺度上升到巨宽尺度,分子动力学所需要的计算量非常庞大,其运算时间也需要很长。针对上述问题,研究了将CGMD运算方法运用到纳米压痕上,并将得到的结果与分子动力学进行比较,结果表明,CGMD与分子动力学这2种运算方法在纳米压痕的变形机制与物理行为是很接近的,但由CGMD模拟得到的载荷-位移曲线所估算的薄膜基板材料性质略高于分子动力学的模拟结果。
Coarse grained molecular dynamics(CGMD)is an important method for simulating atom scale action,but if the scale increased to tremendous level,molecular dynamics need huge calculated amount,and the operation time was long.Aimed at that,CGMD method was taken,and applied it into nanoindentation,the results were compared with molecular dynamics.The results showed that the two operational method were similar in the aspect of deformation mechanism and physics behavior of nanoindentation,but the properties of film placode materials estimated with CGMD load-displacement curve were a little higher than those with molecular dynamics.
作者
傅仕红
FU Shihong(Lab for Advanced Material Processing,Zhejiang Normal University,Jinhua 321019,China)
出处
《新技术新工艺》
2019年第1期66-69,共4页
New Technology & New Process
基金
2019年度浙江省科技厅公益技术研究项目(LGG19F020013
关键词
CGMD
分子动力学
纳米压痕
变形机制
变换尺度
节点势能
CGMD
molecular dynamics
nanoindentation
deformation mechanism
transformation scale
node potential energy
