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Investigation on the crystal structure and mechanical properties of the ternary compound mg_(11-x)zn_(x)sr combined with experimental measurements and first-principles calculations

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Journal of Magnesium and Alloys 2023年第3期11卷 1074-1082页

作者： Jian Wang Lingzhong Meng Zhang Zhang Baisheng Sa Xiaoxiao Fu Liyuan Sheng Daokui Xu Yufeng Zheng School of Mechanical Engineering Yangzhou UniversityYangzhou 225127China Key Laboratory of Eco-materials Advanced Technology College of Materials Science and EngineeringFuzhou UniversityFuzhou 350108China College of Materials Science and Engineering Chongqing UniversityChongqing 400044China Shenzhen Institute Peking UniversityShenzhen518057China PKU-HKUST ShenZhen-HongKong Institution Shenzhen 518057China Key Laboratory of Nuclear Materials and Safety Assessment Institute of Metal ResearchChinese Academy of SciencesShenyang110016China

A new ternary compound,mg_(11-x)zn_(x)sr in the mg-zn-sr system was observed and studied using Scanning Electron Microscopy(SEM),Energy-Dispersive Spectroscope(EDS),X-Ray Diffraction(XRD)and Transmission Electron Microscopy(TEM).The XRD patterns were refined by the Rietveld refinement method and the results revealed that the crystallized mg_(11-x)zn_(x)sr phase belonged to tetragonal I41/amd space group and had the Cd_(11)Ba prototype.The mg atoms were successfully doped into zn_(11)sr crystal lattice by occupying zn atomic sites.Moreover,the Rietveld refinement and computational results demonstrated a gradual decrease in the a-axis and c-axis lattice parameters with decreasing concentration levels of mg coordination substitution in the lattice of mg_(11-x)zn_(x)sr compound.The elastic constants and modulus of the mg_(11-x)zn_(x)sr compounds calculated by first-principles calculations(FPC)indicated they were increased with the increasing of zn content.The variation of hardness,D-band widths and the total density of states for mg_(11-x)zn_(x)sr compounds with zn content was discussed.

关键词： mg-zn-sr system Crystal structure Hardness Elastic constants Modulus

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