24小时热门版块排行榜

返回列表

当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖

Bessel

木虫 (正式写手)

模拟EPI: 2
应助: 47 (小学生)
金币: 1506.5
散金: 4755
红花: 8
帖子: 609
在线: 234.1小时
虫号: 370174
注册: 2007-05-13
专业: 凝聚态物性I:结构、力学和

[求助] 请谁能解释一下Lammps里removing a "bias" from the atom velocities.

看了半天说明和其他文献，百思不得其解。
fix langevin command :

like other fixes that perform thermostatting, this fix can be used with compute commands that remove a "bias" from the atom velocities. E.g. removing the center-of-mass velocity from a group of atoms or removing the x-component of velocity from the calculation. This is not done by default, but only if the fix_modify command is used to assign a temperature compute to this fix that includes such a bias term. See the doc pages for individual compute commands to determine which ones include a bias. In this case, the thermostat works in the following manner: bias is removed from each atom, thermostatting is performed on the remaining thermal degrees of freedom, and the bias is added back in.

是不是说，比如我有一个沿X方向的couette flow，应为摩擦体系温度要升高，为了保持体系的温度，施加了langevin恒温器，但是在计算体系的温度时，要把x方向的动能刨除？不知道我理解的对不对？

关键问题是，“bias”到底是什么？我一直不理解。

谢谢！

回复此楼