First-principles studies on carbon diffusion in tungsten<xref rid="cpb_28_11_116106fn1" ref-type="fn">*</xref><fn id="cpb_28_11_116106fn1"><label>*</label><p>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).</p></fn>

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-Shan^{2, †}, Liu C S²

The schematic diagram of possible interstitial sites for carbon in bcc tungsten: tetrahedral and octahedral interstitial sites, which are denoted by the small red and green spheres, respectively. The tungsten atoms are represented by the large sphere. Note that the tungsten atoms marked by 1 and 2 are allowed to vibrate in the frequency calculation.