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[求助]
金属电导率 已有1人参与
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| 不知道哪位大神是否清楚可以使用lammps进行金属电导率的计算，之前看了好多关于热导率的计算，如果不行的话是否可以使用ms |
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brucefan
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2楼2016-06-28 23:01:29
3楼2016-06-29 20:32:21
brucefan
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4楼2016-06-30 01:13:35
5楼2016-06-30 17:32:54
brucefan
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【答案】应助回帖
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Usually, 电导率(electrical conductivity) refers to the intrinsic transport properties of a material. For a sample longer than the electron mean free path, conductivity sigma is related to conductance G by G=A*sigma/L, where A is the cross-sectional area (perpendicular to the transport direction) and L is the sample length. The inverse of the conductance G is the resistance R. But this resistance R is different from 接触电阻 (contact resistance) R_c, which is a property of the interface (contact). For the whole system, the total resistance R_tot can be considered as the sum of these two components: R_tot = R + R_c. Anyway, I guess what you are interested is to calculate the 接触电阻 R_c. I think molecular simulation itself cannot give you the final answer. What molecular simulation might provide is the atomic configuration around the contact, which might be needed in a model which can calculate the 接触电阻. |
6楼2016-06-30 19:19:38
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First of all, thank you very much for your detailed explaination of the contact resistance and electrical conductivity. And what you refer puzzle me a long time because I want to combime the contact resistance(macro behacior) with micromechanism of the electrical conductivity. I believe that you said in the last is a correct advice for me now. |
7楼2016-07-01 09:49:59