合金元素与温度对纯镁和镁合金热导率的影响规律及其机理研究

The main problem limiting the application of magnesium on heat sink is the lack of low temperature thermal conductivity data and the unclear thermal conduction mechanism. This project combined the experiment, calculation, and simulation to solve this problem. Firstly, collect the experimental data of thermal conductivity over the temperature range 2-573K of pure Mg and binary magnesium alloys. Secondly, using first principle method to calculate the evolution of electron and phonon due to the change of temperature and the adding of alloying element, then investigate the effect of temperature and alloying element on thermal conductivity and its underlying mechanism of pure Mg and magnesium alloys, finally build the model for predicting the thermal conductivity of magnesium alloys. The results would lay solid foundation and provide guidance to the design of novel high thermal conductivity magnesium alloys for heat sink application.

低温热导率数据的不足和导热机理的不明确严重限制了镁合金在散热领域的广泛应用。本项目采用试验测试、理论计算和模拟相结合的研究方法，通过测试纯镁和二元镁合金在2-573K的热导率，采用第一性原理计算电子与声子结构随温度和合金元素的演变，深入地研究温度和合金元素这两个关键因素对热导率的影响规律，揭示其微观机理，并最终建立镁合金热导率的预测模型，为开发新型高导热的镁合金提供实验基础和理论指导。

低温热导率数据的不足和导热机理的不明确严重限制了镁合金在散热领域的广泛应用。本项目采用试验测试、理论计算和模拟相结合的研究方法，通过测试纯镁和二元镁合金在2-573K的热导率，采用第一性原理计算电子与声子结构随温度和合金元素的演变，深入地研究温度和合金元素这两个关键因素对热导率的影响规律，定量分析了电子热导率和声子热导率对总热导率的贡献，并揭示了其微观机理，最终建立镁合金热导率的预测模型，本项目的结果将为开发新型高导热的镁合金提供实验基础和理论指导，强力推动高导热镁合金在5G基站和光伏滤波器等散热部件的应用。