Tunnel-structured willemite Zn_(2)SiO_(4):Electronic structure,elastic,and thermal properties

作     者：Ruqiao DAI Renfei CHENG Jiemin WANG Chao ZHANG Cuiyu LI Hailong WANG Xiaohui WANG Yanchun ZHOU Ruqiao DAI;Renfei CHENG;Jiemin WANG;Chao ZHANG;Cuiyu LI;Hailong WANG;Xiaohui WANG;Yanchun ZHOU

作者机构：Shenyang National Laboratory for Materials ScienceInstitute of Metal ResearchChinese Academy of SciencesShenyang 110016China School of Materials Science and EngineeringUniversity of Science and Technology of ChinaShenyang 110016China Advanced Computing East China Sub-centerSuma Technology Company LimitedKunshan 215300China School of Material Science and EngineeringZhengzhou UniversityZhengzhou 450001China Science and Technology on Advanced Functional Composite LaboratoryAerospace Research Institute of Materials&Processing TechnologyBeijing 100076China 

出 版 物：《Journal of Advanced Ceramics》 (先进陶瓷（英文）)

年 卷 期：2022年第11卷第8期

页      面：1249-1262页

核心收录：

学科分类：08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 

基　　金：This work was supported by Shenyang National Laboratory for Materials Science Institute of Metal Research Chinese Academy of Sciences 

主　　题：Zn_(2)SiO_(4) electronic structure elastic properties thermal expansion thermal conductivity 

摘      要：Willemite Zn_(2)SiO_(4)crystallizes in such a way that Zn and Si are tetrahedrally coordinated with O in an ionic–covalent manner to form ZnO_(4)and SiO_(4)tetrahedra as the building *** tetrahedra are corner-sharing,of which one SiO_(4)tetrahedron connects eight ZnO_(4)tetrahedra,and one ZnO_(4)tetrahedron links four ZnO_(4)tetrahedra and four SiO_(4)*** unique crystallographic configuration gives rise to parallel tunnels with a diameter of 5.7Åalong the c-axis *** tunnel structure of Zn_(2)SiO_(4)definitely correlates with its interesting elastic and thermal *** the one hand,the elastic modulus,coefficient of thermal expansion(CTE),and thermal conductivity are ***_(2)SiO_(4)has low Vickers hardness of 6.6 GPa at 10 N and low thermal conductivity of 2.34 W/(m·K)at 1073 *** the other hand,the elastic modulus and CTE along the c-axis are significantly larger than those along the a-and b-axes,showing obvious elastic and thermal expansion ***,the Young’s modulus along the z direction(Ez=179 GPa)is almost twice those in the x and y directions(Ex=Ey=93 GPa).The high thermal expansion anisotropy is ascribed to the empty tunnels along the c-axis,which are capable of more accommodating the thermal expansion along the a-and *** striking properties of Zn_(2)SiO_(4)in elastic modulus,hardness,CTE,and thermal conductivity make it much useful in various fields of ceramics,such as low thermal expansion,thermal insulation,and machining tools.