The temperature dependence of the heat conductivity of a liquid crystal studied by molecular dynamics simulation

Sarman S; Laaksonen A

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The temperature dependence of the heat conductivity of a liquid crystal studied by molecular dynamics simulation

机译：用分子动力学模拟研究液晶的导热系数与温度的关系

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The temperature dependence of the heat conductivity has been obtained for a liquid crystal model based on the Gay-Berne fluid, from the isotropic phase at high temperatures through the nematic phase to the smectic A phase at low temperatures. The ratio of the parallel and the perpendicular components of the heat conductivity is about 2.5:1 in the nematic phase, which is similar to that of real systems. Both Green-Kubo methods and nonequilibrium molecular dynamics methods have been applied and the results agree within in a relative error of a couple of percent, but the latter method is much more efficient.

机译：对于基于盖伊-伯恩流体的液晶模型，已经获得了导热率的温度依赖性，从高温的各向同性相到向列相到低温的近晶A相。在向列相中，热导率的平行分量和垂直分量之比约为2.5：1，这与实际系统的相似。 Green-Kubo方法和非平衡分子动力学方法都已被应用，并且结果在相对误差范围内达到了几个百分点，但是后一种方法效率更高。

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《Chemical Physics Letters》 |2010年第3期|共6页
作者
Sarman S; Laaksonen A;
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正文语种 eng
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dependence; temperature; nonequilibrium;

机译：依赖性;温度;非平衡;

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1. The temperature dependence of the heat conductivity of a liquid crystal studied by molecular dynamics simulation [J] . Sarman S, Laaksonen A Chemical Physics Letters . 2010,第1a3期

机译：用分子动力学模拟研究液晶的导热系数与温度的关系
2. Director alignment relative to the temperature gradient in nematic liquid crystals studied by molecular dynamics simulation [J] . Sten Sarman, Aatto Laaksonen Physical chemistry chemical physics: PCCP . 2014,第28期

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3. Molecular dynamics simulation of alpha-unsubstituted oligo-thiophenes: dependence of their high-temperature liquid-crystalline phase behaviour on molecular length [J] . Tsourtou Flora D., Peroukidis Stavros D., Mavrantzas Vlasis G. Journal of Materials Chemistry, C. materials for optical and electronic devices . 2019,第32期

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The temperature dependence of the heat conductivity of a liquid crystal studied by molecular dynamics simulation

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