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木水郡

新虫 (初入文坛)

[求助] NEMD模拟,设定温度为800K时,温度不守恒

采用施加温度梯度计算石墨烯热导率,300K时计算正常,温度设定为800K时,施加温度梯度后,温度从800K持续上升到830K,然后稳定在这个值左右波动,求解释
NEMD模拟,设定温度为800K时,温度不守恒
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ashioulou

铜虫 (初入文坛)

【答案】应助回帖

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月只蓝: 金币+1, 鼓励交流! 2013-12-04 18:03:57
1.???????ν????????????????f???????c???^????
2.NEMD????????NVE,??y??????????????a??
   ???h????z??????????y??????????????a????r
3楼2013-12-04 16:28:08
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yaozhq

金虫 (小有名气)

【答案】应助回帖

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感谢参与,应助指数 +1
月只蓝: 金币+1, 感谢指导! 2013-11-26 11:26:33
可能是控温算法的问题
2楼2013-11-26 09:17:41
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