journal article·2025-09

Effect of vacancy on the stability of the AlNbTiZr/Zr interface: a first-principles study

Qingqing Wang, Xianggang Kong, You Yu, Tianyuan Xin, Rongjian Pan, Lu Wu

Publisher page

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

OpenAlex topics: Intermetallics and Advanced Alloy Properties · Metal and Thin Film Mechanics · Nuclear Materials and Properties

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (52)

Show source-provided references
1. Sustainable futures using nuclear energy10.1016/j.pnucene.2005.05.054 ↗
2. The role of nuclear energy in long-term climate scenarios: an analysis with the World-TIMES model10.1016/j.enpol.2008.01.015 ↗
3. Nuclear energy as a component of sustainable energy systems10.1093/ijlct/2.2.109 ↗
4. Analysis of indicators of the Electrical Power Production enterprises’ Pollution and harm risk degree in terms of the Paris Agreement
5. Forest carbon accounting to leverage mitigation actions: implications for the Paris Agreement based on the analysis of countries’ decision under the Kyoto Protocol10.1080/13416979.2024.2302303 ↗
6. Temperature-time dependence and mechanisms of redox reaction in Cr-coated Zr alloy cladding during steam oxidation at 900–1250 °C10.1016/j.jnucmat.2024.155094 ↗
7. A study on the change of nuclear power plant news frame in Korean newspapers: before and after Fukushima nuclear accident in Japan
8. The influence of different vacancies on Zr(0001)/SiC close-packed interface performance: a first-principles study10.1016/j.jnucmat.2024.155461 ↗
9. Early-stage diffusion behavior of Cr-MEA coated Zr alloy accident tolerant fuel cladding materials at high temperature10.1016/j.surfcoat.2025.131862 ↗
10. High-temperature oxidation of accident tolerant Cr-coated Zr alloy cladding: model development and validation10.1016/j.jnucmat.2025.155621 ↗
11. Ambient hydrogenation of solid aromatics enabled by a high entropy alloy nanocatalyst10.1038/s41467-024-50009-5 ↗
12. Maximum strength and dislocation patterning in multi–principal element alloys10.1126/sciadv.abq7433 ↗
13. Direct observation of chemical short-range order in a medium-entropy alloy10.1038/s41586-021-03428-z ↗
14. Excellent friction properties of 19Al–24Cr–19Ti–37Ni–1Y eutectic high-entropy alloy cladding prepared on Inconel 617 through plasma cladding10.1016/j.surfcoat.2025.131911 ↗
15. Hydrogen embrittlement and corrosion resistance of NiCoCr-based equimolar face-centered cubic medium-/high-entropy alloys10.1016/j.corsci.2025.112700 ↗
16. Recent advances in modelling structure-property correlations in high-entropy alloys10.1016/j.jmst.2024.03.027 ↗
17. Exceptional fracture toughness of CrCoNi-based medium-and high-entropy alloys at 20 kelvin10.1126/science.abp8070 ↗
18. Strength can be controlled by edge dislocations in refractory high-entropy alloys10.1038/s41467-021-25807-w ↗
19. Microstructure and wear behavior of AlxCo1. 5CrFeNi1. 5Tiy high-entropy alloys10.1016/j.actamat.2011.06.041 ↗
20. A non-equiatomic FeNiCoCr high-entropy alloy with excellent anti-corrosion performance and strength-ductility synergy10.1016/j.corsci.2021.109341 ↗
21. Terminal solid solubility of hydrogen of optimized-Zirlo and its effects on hydride reorientation mechanisms under dry storage conditions10.1016/j.net.2020.01.022 ↗
22. Molten salt reactors and electrochemical reprocessing: synthesis and chemical durability of potential waste forms for metal and salt waste streams10.1080/09506608.2020.1801229 ↗
23. Adhesion property of AlCrNbSiTi high-entropy alloy coating on zirconium: experimental and theoretical studies
24. High temperature, low neutron cross-section high-entropy alloys in the Nb-Ti-V-Zr system10.1016/j.actamat.2019.01.006 ↗
25. Design of single-phase high-entropy alloys composed of low thermal neutron absorption cross-section elements for nuclear power plant application10.1016/j.intermet.2018.11.001 ↗
26. Microstructure and mechanical properties of a novel refractory AlNbTiZr high-entropy alloy10.1080/02670836.2018.1446267 ↗
27. Microstructure, mechanical and thermal oxidation behavior of AlNbTiZr high entropy alloy10.1016/j.intermet.2018.05.015 ↗
28. Effect of the local chemical environment on oxidation resistance mechanisms in AlNbTiZr refractory high entropy alloys: a first-principles study10.1016/j.scriptamat.2022.114624 ↗
29. Radiation-induced amorphization resistance and radiation tolerance in structurally related oxides
30. Interface relationship between TiN and Ti substrate by first-principles calculation10.1016/j.commatsci.2018.08.028 ↗
31. First principles calculations of interfacial adhesion energy between Fe substrate and transition layer of films
32. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
33. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
34. C. Fiolhais, atoms, molecules, solids, and surfaces: applications of the generalized gradient approximation for exchange and correlation10.1103/PhysRevB.46.6671 ↗
35. Special quasirandom structures10.1103/PhysRevLett.65.353 ↗
36. Electronic properties of random alloys: special quasirandom structures10.1103/PhysRevB.42.9622 ↗
37. Effect of local chemical environment on the point defects in AlNbTiZr refractory high entropy alloys10.1016/j.jnucmat.2023.154451 ↗
38. Investigation on grain refinement mechanism of Ni-based coating with LaAlO3 by first-principles10.1016/j.matdes.2016.08.040 ↗
39. Ni Al (110)∕ Cr (110) interface: a density functional theory study10.1103/PhysRevB.73.205421 ↗
40. Ab initio investigation of Al/Mo2 B interfacial adhesion10.1016/j.commatsci.2010.10.025 ↗
41. Role of chemical disorder and local ordering on defect evolution in high-entropy alloys
42. Effect of B and Hf doping on vacancy defects in AlCrMoNbZr high entropy alloy: a first principles study10.1016/j.jpcs.2024.112245 ↗
43. Defect properties in a VTaCrW equiatomic high entropy alloy(HEA)with the body centered cubic(bcc) structure10.1016/j.jmst.2019.10.025 ↗
44. The dissolution behavior of He atom in AlNbTiZr high entropy alloy by first principles10.1016/j.jnucmat.2023.154706 ↗
45. A comprehensive first-principles study of pure elements: vacancy formation and migration energies and self-diffusion coefficients10.1016/j.actamat.2016.02.031 ↗
46. Thermodynamic properties, interfacial adhesion energy and tribological properties between MCN (M = Hf, Ta, Cr, Nb) coating and Ti alloy substrates investigated by experiment and first-principles calculations10.1016/j.apsusc.2024.161068 ↗
47. Pressure-stabilized tin selenide phase with an unexpected stoichiometry and a predicted superconducting state at low temperatures10.1103/PhysRevLett.118.137002 ↗
48. Engineering of the interactions of volatile organic compounds with MoS210.1039/C6TC04673H ↗
49. Specific features of defect and mass transport in concentrated fcc alloys10.1016/j.actamat.2016.06.018 ↗
50. Preferential diffusion in concentrated solid solution alloys: NiFe, NiCo and NiCoCr10.1016/j.actamat.2017.01.056 ↗
51. Effect of d electrons on defect properties in equiatomic NiCoCr and NiCoFeCr concentrated solid solution alloys
52. Interface engineering with KI modifier enhances performance of CsPbBr3 perovskite solar cells10.1016/j.materresbull.2025.113332 ↗