Ab initiodetermination of electrical and thermal conductivity of liquid aluminum

We present here a technique to compute electronic thermal conductivity of fluids using quantum-molecular dynamics and the formulation of Chester-Tellung for the Kubo-Greenwood formula. In order to validate our implementation, the electrical and thermal conductivities of liquid aluminum were determined from 700.3em0exK above the melting point up to 100.2em0ex0000.3em0exK. Results agree well with experimental data for Al at 10000.3em0exK. The Lorentz number, defined as K∕σT, where K is the thermal conductivity, σ is the electrical conductivity, and T is the temperature, is close to the ideal value of 2.44×10^-8 for metals, and the Wiedemann-Franz law is verified.