Phenomenon of ultra-fast tracer diffusion of Co in HCP high entropy alloys
Source abstract
Abstract
Abstract An experimental-ab initio approach is applied to investigate solute diffusion in hexagonal high-entropy alloys. The radioisotope 57Co is selected to probe the diffusion behaviour in a series of HCP alloys, from equiatomic binary (HfZr) and ternary (HfTiZr) to quinary Al5Sc20Hf25Ti25Zr25 at.% and Al15Sc10Hf25Ti25Zr25 at.% high-entropy alloys. Diffusion of Co in the present alloys is found to be strongly anisotropic and exceptionally fast (by 5 to 10 orders of magnitude faster than self-diffusion) which can be explained in terms of a dissociative diffusion mechanism. The origin of ultra-fast diffusion of Co in the given HCP high-entropy alloys and the impact of the multi-element environment on the interstitial positions are analyzed in the framework of ab initio computations. Our results show that solute diffusion can be used as a tool to probe potential short range order in HCP multi-principal element alloys on very short time scales with respect to the jump rates of matrix atoms.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: High Entropy Alloys Studies · High-Temperature Coating Behaviors · Advanced Materials Characterization Techniques
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (52)
Show source-provided references
1. Nanostructured high-entropy alloys with multiple principal elements: novel alloy design concepts and outcomes10.1002/adem.200300567 ↗
2. Enhanced strength-ductility synergy in ultrafine-grained eutectic high-entropy alloys by inheriting microstructural lamellae10.1038/s41467-019-08460-2 ↗
3. Simultaneous strength-ductility enhancement of a nano-lamellar AlCoCrFeNi2.1 eutectic high entropy alloy by cryo-rolling and annealing10.1038/s41598-018-21385-y ↗
4. High-entropy alloys with high saturation magnetization, electrical resistivity, and malleability10.1038/srep01455 ↗
5. A fine-grained nbmotaWVCr refractory high-entropy alloy with ultra-high strength: microstructural evolution and mechanical properties10.1016/j.jallcom.2018.11.318 ↗
6. High-entropy alloys with high saturation magnetization, electrical resistivity, and malleability10.1038/srep01455 ↗
7. Tailoring magnetic behavior of cofemnnix (x = Al, Cr, Ga, and Sn) high entropy alloys by metal doping10.1016/j.actamat.2017.03.013 ↗
8. Fundamental electronic structure and multiatomic bonding in 13 biocompatible high-entropy alloys10.1038/s41524-020-0321-x ↗
9. Shape memory characteristics of (TiZrHf)50Ni25Co10Cu15 high entropy shape memory alloy10.1016/j.scriptamat.2018.11.023 ↗
10. The tribological properties of Al0.6CoCrFeNi high-entropy alloy with the s phase precipitation at elevated temperature10.1016/j.jallcom.2018.10.393 ↗
11. A critical review of high entropy alloys and related concepts10.1016/j.actamat.2016.08.081 ↗
12. High-entropy alloys in hexagonal close-packed structure10.1007/s11661-015-3091-1 ↗
13. A hexagonal close-packed high-entropy alloy: the effect of entropy10.1016/j.matdes.2016.01.149 ↗
14. Microstructural and mechanical characterization of an equiatomic YGdtbdyho high entropy alloy with hexagonal close-packed structure10.1016/j.actamat.2018.06.010 ↗
15. Microstructure and mechanical properties of the novel Hf25Sc25Ti25Zr25 equiatomic alloy with hexagonal solid solutions10.1016/j.matdes.2015.11.104 ↗
16. Computationally-driven engineering of sublattice ordering in a hexagonal AlHfScTiZr high entropy alloy10.1038/s41598-017-02385-w ↗
17. Sluggish diffusion in Co-Cr-Fe-Mn-Ni high-entropy alloys10.1016/j.actamat.2013.04.058 ↗
18. Investigations of quaternary interdiffusion in a constituent system of high entropy alloys10.1063/1.4931806 ↗
19. Determination of the intrinsic diffusivities from the diffusion couple experiment in multicomponent systems10.1016/j.scriptamat.2017.05.031 ↗
20. Bulk tracer diffusion in CoCrFeNi and CoCrFeMnNi high entropy alloys10.1016/j.actamat.2017.12.052 ↗
21. Tracer diffusion in the Ni–CoCrFeMn system: transition from a dilute solid solution to a high entropy alloy10.1016/j.scriptamat.2018.09.011 ↗
22. Ni tracer diffusion in CoCrFeNi and CoCrFeMnNi high entropy alloys10.1016/j.jallcom.2016.07.239 ↗
23. Tracer diffusion in single crystalline CoCrFeNi and CoCrFeMnNi high entropy alloys10.1557/jmr.2018.162 ↗
24. Concentration-dependent atomic mobilities in FCC CoCrFeMnNi high-entropy alloys
25. A mystery of ‘sluggish diffusion’ in high-entropy alloys: the truth or a myth?10.4028/www.scientific.net/DF.17.69 ↗
26. Interdiffusion in the FCC-structured Al-Co-Cr-Fe-Ni high entropy alloys: experimental studies and numerical simulations10.1016/j.jallcom.2016.03.046 ↗
27. Makarenko, tracer diffusion of cobalt in high-entropy alloys AlxFeNiCoCuCr10.15407/mfint.39.03.0337 ↗
28. Ultra-fast solute diffusion in α-ti and α-zr10.1080/14786437208227431 ↗
29. Diffusion in α-titanium10.4028/www.scientific.net/DDF.95-98.775 ↗
30. Interstitial and substitutional diffusion of metallic solutes in ti3al10.1016/S0966-9795(98)00115-0 ↗
31. Bulk and interface boundary diffusion in group IV HCP metals and alloys10.1007/s11661-002-0143-0 ↗
32. Tracer diffusion in α-Zr10.1016/0001-6160(74)90098-4 ↗
33. Self- and HF diffusion in α-Zr and in dilute, Fe-free Zr(Ti) and Zr(Nb) alloys10.4028/www.scientific.net/DDF.143-147.49 ↗
34. Self-diffusion and fast cobalt impurity diffusion in the bulk and in grain boundaries of hexagonal titanium10.1080/01418619108213927 ↗
35. Instrinsic self-diffusion and substitutional al diffusion in α-Ti10.1016/S1359-6454(97)00078-5 ↗
36. Mehrer · 2007
37. Paul · 2014
38. Bernard, special quasirandom structures10.1103/PhysRevLett.65.353 ↗
39. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
40. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
41. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
42. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
43. High-precision sampling for Brillouin-zone integration in metals10.1103/PhysRevB.40.3616 ↗
44. Special points for Brillouin-zone integrations10.1103/PhysRevB.13.5188 ↗
45. Defect energetics of concentrated solid-solution alloys from ab initio calculations: Ni0.5Co0.5, Ni0.5Fe0.5, Ni0.8Fe0.2 and Ni0.8Cr0.210.1039/C6CP05161H ↗
46. Calculating free energies of point defects from ab initio10.1016/j.commatsci.2018.02.042 ↗
47. A machine learning approach to model solute grain boundary segregation10.1038/s41524-018-0122-7 ↗
48. The diffusion of 58Co in oriented single crystals of α-zirconium10.1080/01418618108239537 ↗
49. Heterodiffusion of Co and Cr in pure alpha- and beta-HF10.1016/0022-3115(76)90265-8 ↗
50. Radioactive isotopes reveal a non sluggish kinetics of grain boundary diffusion in high entropy alloys10.1038/s41598-017-12551-9 ↗
51. On the abnormal fast diffusion of solute atoms in α-Ti: a first-principles investigation10.1016/j.jallcom.2017.12.359 ↗
52. Self-interstitial configurations in HCP Zr: a first principles analysis10.1080/09500839.2012.745653 ↗