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Thermal and Electrical Conductivities of Aluminum Up to 1000 eV:A First-Principles Prediction 认领 引用
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作者 Qianrui Liu Xiantu He Mohan Chen 《Chinese Physics Letters》 SCIE EI CAS CSCD 2026年第7期55-58,I0024-I0036,共4页
Accurate prediction of the thermal and electrical conductivities of materials under extremely high temperatures is essential in high-energydensity physics.These properties govern processes such as stellar core dynamic... Accurate prediction of the thermal and electrical conductivities of materials under extremely high temperatures is essential in high-energydensity physics.These properties govern processes such as stellar core dynamics,planetary magnetic field generation,and laserdriven plasma evolution.However,first-principles methods like Kohn-Sham(KS)density functional theory(DFT)face challenges in predicting these properties due to prohibitively high computational costs.We propose a scheme that integrates the Kubo formalism with a mixed stochastic-deterministic DFT(mDFT)method,which substantially enhances efficiency in computing thermal and electrical conductivities of dense plasmas under extremely high temperatures.As a showcase,this approach enables ab initio calculations of the thermal and electrical conductivities of aluminum(Al)up to 1000 eV.Compared to traditional transport models,our first-principles results reveal significant deviations in the thermal and electrical conductivities of Al within the warm dense matter regime,underscoring the importance of accounting for quantum effects when investigating these transport properties of warm dense matter. 展开更多
关键词 kubo formali functional theory dft face thermal electrical conductivities laserdriven plasma evolutionhoweverfirst principles aluminum first principles prediction thermal conductivity stellar core dynamicsplanetary magnetic field generationand
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