二元硝酸复配盐与AlN陶瓷之间界面导热的分子动力学研究  

Molecular Dynamics Study of the Interfacial Thermal Conductance Between Binary Nitric Acid Compound Salt and AlN Ceramics

作　　者：张桐 孙方远 冯妍卉 ZHANG Tong;SUN Fangyuan;FENG Yanhui(School of Energy and Environmental Engineering,University of Science and Technology Beijing,Beijing 100083,China)

机构地区：[1]北京科技大学能源与环境工程学院,北京100083

出　　处：《工程热物理学报》2024年第4期1144-1149,共6页Journal of Engineering Thermophysics

基　　金：国家自然科学基金(No.52236006)。

摘　　要：陶瓷基复合相变材料相较于传统相变材料具有蓄热能力大、导热性能好等优点,因而在储热领域具有巨大的应用前景。本研究对二元硝酸复配盐与AlN陶瓷之间界面处的热输运进行了分子动力学模拟,研究了复配比例对界面导热的影响规律。通过声子态密度、声子重叠能以及声子参与率等手段分析,结果发现随着硝酸钠质量分数与界面热导呈正相关,纯硝酸钠/AlN相比纯硝酸钾/AlN界面热导高出约8.6%,主要由于硝酸钠与硝酸钾相比其和AlN的界面处声子振动匹配程度更好且声子参与率更高。Compared with traditional phase change materials,ceramic matrix composite phase change materials have the advantages of high heat storage capacity and good thermal conductivity,so it has a great application prospect in the field of heat storage.In this study,molecular dynamics simulation was carried out on the heat transport at the interface between binary nitric acid compound salt and Al N ceramics,and the effect of compound ratio on the interface heat conduction was studied.Through the analysis of phonon density of states,phonon overlap energy and phonon participation ratio,the results show that as the mass fraction of sodium nitrate is positively correlated with interface thermal conductance,the interfacial thermal conductance of pure sodium nitrate/AlN is about 8.6%higher than that of pure potassium nitrate/AlN,mainly because the phonon vibration matching degree between sodium nitrate and AlN interface is better and the phonon participation rate is higher than that of potassium nitrate.

关 键 词：界面热导 复合相变材料 复配盐 分子动力学模拟 

分 类 号：TK123[动力工程及工程热物理—工程热物理]