典型文献
Maximizing the mechanical performance of Ti3AlC2-based MAX phases with aid of machine learning
文献摘要：
Mechanical properties consisting of the bulk modulus,shear modulus,Young's modulus,Poisson's ratio,etc.,are key factors in determining the practical applications of MAX phases.These mechanical properties are mainly dependent on the strength of M-X and M-A bonds.In this study,a novel strategy based on the crystal graph convolution neural network(CGCNN)model has been successfully employed to tune these mechanical properties of Ti3AlC2-based MAX phases via the A-site substitution(Ti3(Al1-xAx)C2).The structure-property correlation between the A-site substitution and mechanical properties of Ti3(Al1-xAx)C2 is established.The results show that the thermodynamic stability of Ti3(Al1-xAx)C2 is enhanced with substitutions A=Ga,Si,Sn,Ge,Te,As,or Sb.The stiffness of Ti3AlC2 increases with the substitution concentration of Si or As increasing,and the higher thermal shock resistance is closely associated with the substitution of Sn or Te.In addition,the plasticity of Ti3AlC2 can be greatly improved when As,Sn,or Ge is used as a substitution.The findings and understandings demonstrated herein can provide universal guidance for the individual synthesis of high-performance MAX phases for various applications.
文献关键词：
中图分类号：
作者姓名：
Xingjun DUAN;Zhi FANG;Tao YANG;Chunyu GUO;Zhongkang HAN;Debalaya SARKER;Xinmei HOU;Enhui WANG
作者机构：
Beijing Advanced Innovation Center for Materials Genome Engineering,Collaborative Innovation Center of Steel Technology,University of Science and Technology Beijing,Beijing 100083,China;Fritz-Haber-Institut der Max-Planck-Gesellschaft,Faradayweg 4-6,Berlin 14195,Germany;UGC-DAE Consortium for Scientific Research,University Campus,Khandwa Road,Indore 452001,India
文献出处：
引用格式：
[1]Xingjun DUAN;Zhi FANG;Tao YANG;Chunyu GUO;Zhongkang HAN;Debalaya SARKER;Xinmei HOU;Enhui WANG-.Maximizing the mechanical performance of Ti3AlC2-based MAX phases with aid of machine learning)[J].先进陶瓷（英文版）,2022(08):1307-1318
A类：
CGCNN,xAx
B类：
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AB值：
0.513203
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