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First Principle Study of MgSnLa Compounds in Mg-3Sn-1Mn-1La Alloy Processed by Rheo-Rolling
| Content Provider | MDPI |
|---|---|
| Author | Wang, Jian-Hong Zhao, Zhan-Yong |
| Copyright Year | 2022 |
| Description | In order to obtain a high-performance heat-resistant Mg alloy during the rheo-rolling process, the electronic structure, elastic constants, binding energy and thermodynamic properties of the MgSnLa compounds were conducted by first-principle calculations. The results show that the MgSnLa compounds $(La_{5}Sn_{3}$, $Mg_{17}La_{2}$ and $Mg_{2}$Sn) all show certain metallicity, and $La_{5}Sn_{3}$ has better mechanical properties (higher bulk modulus (46.47091 GPa) and shear modulus (26.40561 GPa)) than the other two phases. The binding energy reveals that $La_{5}Sn_{3}$ is the most stable phase in these composite phases (5.33 eV/atom); additionally, thermodynamic studies show that the structural stability of the MgSnLa compounds increases with the increase in temperature, and the temperature has the greatest effect on the stability of $Mg_{17}La_{2}$. These all provide an efficient guide for the widespread engineering applications of high-performance heat-resistant Mg alloy. |
| Starting Page | 1361 |
| e-ISSN | 19961944 |
| DOI | 10.3390/ma15041361 |
| Journal | Materials |
| Issue Number | 4 |
| Volume Number | 15 |
| Language | English |
| Publisher | MDPI |
| Publisher Date | 2022-02-12 |
| Access Restriction | Open |
| Subject Keyword | Materials Manufacturing Engineering Heat-resistant Mg Alloy Rheo-rolling First Principle Thermodynamic Properties Mgsnla Compounds |
| Content Type | Text |
| Resource Type | Article |
