Jian-Xiong Yi

TL;DR: In this paper, the elastic property and electronic structure of three typical Al-Ce structures have been studied by means of first-principles calculations within GGA approximation, and the optimized structural parameters for these precipitates agree very well with experimental data.

TL;DR: In this article, the β′ phase precipitate in Mg-Gd alloy system has been investigated by means of first-principles calculation within the generalized gradient approximation, and lattice parameters are determined theoretically by structural optimization of full relaxation, and the Mg7Gd is found to be energetically more stable compared with the mg15Gd from the calculated formation energy.

TL;DR: In this article, the microstructure and electronic characteristics of the 6H-type ABACAB LPSO structure in Mg 97 Zn 1 Y 2 alloy are investigated by means of first-principles calculation within the generalized gradient approximation.

TL;DR: In this article, the crystal structure of the 10H-type long-period stacking order structure in Mg-Y-Zn alloy was investigated by first-principle calculations.

TL;DR: In this article, the elastic properties and electronic structure of a new MAX compound (Cr 0.5 V 0.2 GeC) were investigated based on first-principles calculations, and the obtained lattice parameters agree very well with available experimental and theoretical data.