First-principles studies on carbon diffusion in tungsten*

Project supported by the National Key Research and Development Program of China (Grant No. 2018YFE0308102), the National Natural Science Foundation of China (Grant Nos. 11735015 and 51771185), the Natural Science Foundation of the Jiangsu Higher Education Institutions of China (Grant No. 17KJB140008), and Jinling Institute of Technology, China (Grant Nos. jit-fhxm-201601 and jit-b-201616).

Song Chi1, Kong Xiang-Shan2, †, Liu C S2
       

The temperature-dependent activation energies and their corresponding static energy and vibration free-energy contribution. The green stars represent the static energy contribution calculated by Eq. (14).