A hierarchical high-throughput first principles investigation on the adhesion work, interfacial energy and tensile strength of NiTi2 (100)/α-Al2O3 (0001) interfaces
By performing a high-throughput first principles calculations on works of adhesion of total 468 different NiTi2/Al2O3 interfaces, eight interfacial configurations (Ni1–O, Ni2–O, Ti1–O, Ti2–O, Ni1–Al2, Ni2–Al1, Ni2–Al2 and Ti2–Al2) belonging to metal–metal and metal–oxygen interfaces are obtained due...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2021-09-01
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| Series: | Journal of Materials Research and Technology |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2238785421009315 |