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Point defect formation in M(2)AlC (M = Zr,Cr) MAX phases and their tendency to disorder and amorphize
First principles calculations are performed on Zr(2)AlC and Cr(2)AlC MAX phases to compare their ability to accommodate point defects under irradiation. Interatomic bonding is stronger in Cr(2)AlC than Zr(2)AlC but contrary to expectation Zr(2)AlC exhibits higher vacancy and antisite pair formation...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5574895/ https://www.ncbi.nlm.nih.gov/pubmed/28852165 http://dx.doi.org/10.1038/s41598-017-10273-6 |