Crystal structures and elastic properties of Ti(Cu,Pt)2 and Ti(Cu,Pt)3 phases  

Ti(Cu,Pt)2和Ti(Cu,Pt)3相的晶体结构和弹性性能

作　　者：Wei-jing ZENG Kun HU Hua-shan LIU Hai-long PENG Ge-mei CAI Zhan-peng JIN 曾维敬;胡坤;刘华山;彭海龙;蔡格梅;金展鹏(中南大学材料科学与工程学院,长沙410083)

机构地区：[1]School of Materials Science and Engineering,Central South University,Changsha 410083,China

出　　处：《Transactions of Nonferrous Metals Society of China》2020年第7期1839-1848,共10页中国有色金属学报（英文版）

基　　金：Projects(2016YFB0701404;2016YFB0701301)supported by the National Key Research and Development Program of China。

摘　　要：This paper focused on the crystal structures of two new ternary phases,Ti(Cu,Pt)2 and Ti(Cu,Pt)3,which were studied by X-ray powder diffraction data using Rietveld method.Electron probe microanalysis was used for sample composition examination.Elastic properties of these phases were further measured by nano-indentation,and meanwhile calculated with first-principle(FP)calculations.It is found that the crystal structure of Ti(Cu,Pt)2 is of orthorhombic cell space group Amm2(No.38)with structural prototype of VAu2.The resolved structure of Ti(Cu,Pt)3 is of tetragonal Al Pt3 type,belonging to the space group P4/mmm(No.123).The nano-indentation measurement and FP calculations show that the elastic modulus of Ti(Cu,Pt)2 increases firstly then decreases with Pt content,whereas that of Ti(Cu,Pt)3almost linearly increases with Pt content.利用X射线粉末衍射数据结合Rietveld结构精修方法研究并确定两个新三元相Ti(Cu,Pt)2和Ti(Cu,Pt)3的晶体结构。使用电子探针(EPMA)检测样品的成分,同时结合纳米压痕技术和第一性原理计算对其弹性性能进行研究。研究发现,Ti(Cu,Pt)2的空间群为Amm2(No.38),与VAu2有着相同的结构类型。Ti(Cu,Pt)3的结构为四方晶系的AlPt3结构类型,属于P4/mmm空间群(No.123)。纳米压痕测量和第一性原理计算表明,Ti(Cu,Pt)2的弹性模量随Pt含量的增加先增大,然后减小;而Ti(Cu,Pt)3的弹性模量随Pt含量的增加几乎呈线性增加。

关 键 词：Ti-Cu-Pt phase crystal structure X-ray diffraction first-principle calculations elastic properties 

分 类 号：TG146.23[一般工业技术—材料科学与工程]