计算化学公社

标题: 审稿意见中让确定计算的润湿结果是否处于亚稳态，应该怎么确定稳态与亚稳态？ [打印本页]

作者
Author: gch123 时间: 2019-10-13 11:05
标题: 审稿意见中让确定计算的润湿结果是否处于亚稳态，应该怎么确定稳态与亚稳态？
审稿意见如下：
Is it checked whether the state of the microdroplet lying on the graphite surface is an equilibrium or long-lived metastable state? Maybe, the equilibrium state is not a compact microdroplet, but a monomolecular film covering the surface of graphene? If the authors admit that a microdroplet in contact with a clean graphene surface can be a long-lived metastable state, this should be mentioned in the text of the article.

利用分子动力学模拟计算润湿，请各位老师帮帮忙

作者
Author: bobosiji 时间: 2019-10-14 14:36
既然他说了“Maybe, the equilibrium state is not a compact microdroplet, but a monomolecular film covering the surface of graphene”，试试把 a monomolecular film covering the surface of graphene 当初始状态模拟下，看看这个稳定不？

作者
Author: gch123 时间: 2019-10-14 20:54

bobosiji 发表于 2019-10-14 14:36
既然他说了“Maybe, the equilibrium state is not a compact microdroplet, but a monomolecular film cov ...

不稳定任然会变成液滴状，这说明我的是稳态吗？

作者
Author: bobosiji 时间: 2019-10-14 21:08

gch123 发表于 2019-10-14 20:54
不稳定任然会变成液滴状，这说明我的是稳态吗？

我觉得这是个支持证据。至少说明液滴比a monomolecular film covering the surface of graphene稳定

作者
Author: gch123 时间: 2019-10-14 21:51

bobosiji 发表于 2019-10-14 21:08
我觉得这是个支持证据。至少说明液滴比a monomolecular film covering the surface of graphene稳定

嗯嗯谢谢了

欢迎光临计算化学公社 (http://bbs.keinsci.com/)