Ideal simple shear strengths of two HfNbTaTi-based quinary refractory multi-principal element alloys
Source abstract
Abstract
Atomistic simulations are employed to investigate chemical short-range ordering in two body-centered cubic refractory multi-principal element alloys, HfMoNbTaTi and HfNbTaTiZr, and its influence on their ideal simple shear strengths. Both the alias and affine shear strengths are analyzed on the {110} and {112} planes in the two opposing 111 directions. In both quinary alloys, local ordering of NbNb, TaTa, HfNb, HfTa, and NbTa is preferred as the annealing temperature decreases from 900 to 300 K. The pair that achieves the highest degree of local ordering is TiTi in HfMoNbTaTi and HfTi in HfNbTaTiZr. Subject to the affine shear, these alloys yield by first phase transformation at the most likely pairs followed by deformation twinning at those sites.
Source: crossref · Quality: baseline
Research context
OpenAlex topics: High Entropy Alloys Studies · Intermetallics and Advanced Alloy Properties · Titanium Alloys Microstructure and Properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Department of Mechanical Engineering, University of California 1 , Santa Barbara, California 93106-5070, USA
Department of Mechanical Engineering, Stanford University 2 , Stanford, California 94305, USA
Materials Department, University of California 3 , Santa Barbara, California 93106-5050, USA
Funding
Office of Naval Research
References (85)
Show source-provided references
1. Development and exploration of refractory high entropy alloys—A review10.1557/jmr.2018.153 ↗
2. Refractory high-entropy alloys10.1016/j.intermet.2010.05.014 ↗
3. Effects of Mo, Nb, Ta, Ti, and Zr on mechanical properties of equiatomic Hf-Mo-Nb-Ta-Ti-Zr alloys10.3390/e21010015 ↗
4. Synergetic strengthening in HfMoNbTaTi refractory high-entropy alloy via disordered nanoscale phase and semicoherent refractory particle10.1016/j.matdes.2021.110248 ↗
5. Microstructure and room temperature properties of a high-entropy TaNbHfZrTi alloy10.1016/j.jallcom.2011.02.171 ↗
6. Microstructure and elevated temperature properties of a refractory TaNbHfZrTi alloy10.1007/s10853-012-6260-2 ↗
7. On the room temperature deformation mechanisms of a TiZrHfNbTa refractory high-entropy alloy10.1016/j.msea.2015.08.024 ↗
8. A novel HfNbTaTiV high-entropy alloy of superior mechanical properties designed on the principle of maximum lattice distortion10.1016/j.jmst.2020.10.073 ↗
9. Deformation behavior of HfNbTaTiZr high entropy alloy singe crystals and polycrystals10.1016/j.msea.2021.140983 ↗
10. Refractory metals and alloys
11. Microstructure and mechanical properties of a nickel-base superalloy heavily alloyed with substitution elements10.1088/1757-899x/1008/1/012008 ↗
12. Simultaneously increasing the strength and ductility of a refractory high-entropy alloy via grain refining10.1016/j.matlet.2016.08.060 ↗
13. Effect of cold deformation and annealing on the microstructure and tensile properties of a HfNbTaTiZr refractory high entropy alloy10.1007/s11661-018-4646-8 ↗
14. Peierls barrier characteristic and anomalous strain hardening provoked by dynamic-strain-aging strengthening in a body-centered-cubic high-entropy alloy10.1080/21663831.2019.1658233 ↗
15. New ternary equi-atomic refractory medium-entropy alloys with tensile ductility: Hafnium versus titanium into NbTa-based solution10.1016/j.intermet.2019.01.004 ↗
16. Design and tensile properties of a bcc Ti-rich high-entropy alloy with transformation-induced plasticity10.1080/21663831.2016.1221861 ↗
17. A refractory Hf25Nb25Ti25Zr25 high-entropy alloy with excellent structural stability and tensile properties10.1016/j.matlet.2014.05.134 ↗
18. Enhanced strength and ductility in a high-entropy alloy via ordered oxygen complexes10.1038/s41586-018-0685-y ↗
19. Phase-transformation ductilization of brittle high-entropy alloys via metastability engineering10.1002/adma.201701678 ↗
20. Complex strengthening mechanisms in the NbMoTaW multi-principal element alloy10.1038/s41524-020-0339-0 ↗
21. Anomalous dislocation core structure in shock compressed bcc high-entropy alloys10.1016/j.actamat.2021.116801 ↗
22. Chemical short range order strengthening in BCC complex concentrated alloys10.1016/j.actamat.2021.117012 ↗
23. Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order10.1038/s41467-021-25134-0 ↗
24. Computational property predictions of Ta-Nb-Hf-Zr high-entropy alloys10.1038/s41598-021-84260-3 ↗
25. Molecular dynamics simulations on the mechanical behavior of AlCoCrCu0.5FeNi high-entropy alloy nanopillars
26. Tuning deformation behavior of Cu0.5CoNiCrAl high-entropy alloy via cooling rate gradient: An atomistic study10.1016/j.intermet.2019.106553 ↗
27. Determination of atomic-scale structure and compressive behavior of solidified AlxCrCoFeCuNi high entropy alloys10.1016/j.ijmecsci.2019.105389 ↗
28. Study of the plastic deformation mechanism of TRIP-TWIP high entropy alloys at the atomic level10.1016/j.ijplas.2019.102649 ↗
29. Deformation mechanisms and remarkable strain hardening in single-crystalline high-entropy-alloy micropillars/nanopillars10.1021/acs.nanolett.1c00444 ↗
30. The predicted rate-dependent deformation behaviour and multistage strain hardening in a model heterostructured body-centered cubic high entropy alloy10.1016/j.ijplas.2021.103073 ↗
31. Design of high-strength refractory complex solid-solution alloys10.1038/s41524-018-0072-0 ↗
32. Pseudoelastic deformation in Mo-based refractory multi-principal element alloys10.1016/j.actamat.2021.117299 ↗
33. Revealing the deformation twinning nucleation mechanism of BCC HEAs10.1557/mrc.2019.16 ↗
34. Atomistic simulation of chemical short-range order in HfNbTaZr high entropy alloy based on a newly-developed interatomic potential10.1016/j.matdes.2021.109560 ↗
35. On calculations of basic structural parameters in multi-principal element alloys using small atomistic models10.1016/j.commatsci.2021.110942 ↗
36. Atomistic simulations of the local slip resistances in four refractory multi-principal element alloys10.1016/j.ijplas.2021.103157 ↗
37. Elastic and plastic properties of as-cast equimolar TiHfZrTaNb high-entropy alloy10.1016/j.msea.2015.12.017 ↗
38. Experimental and theoretical study of Ti20Zr20Hf20Nb20X20 (X = V or Cr) refractory high-entropy alloys10.1016/j.ijrmhm.2014.07.009 ↗
39. Local lattice distortion in high-entropy alloys10.1103/physrevmaterials.1.023404 ↗
40. Ab initio predicted alloying effects on the elastic properties of AlxHf1−xNbTaTiZr high entropy alloys10.3390/coatings5030366 ↗
41. Atomistic calculations of the generalized stacking fault energies in two refractory multi-principal element alloys10.1016/j.intermet.2020.106844 ↗
42. Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals10.1103/physrevb.29.6443 ↗
43. Theory of solid solution strengthening of BCC chemically complex alloys10.1016/j.actamat.2021.116758 ↗
44. Misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers10.1103/physrevb.69.144113 ↗
45. An n-body potential for a Zr-Nb system based on the embedded-atom method10.1088/0953-8984/25/10/105404 ↗
46. Alloy models with the embedded-atom method10.1103/physrevb.39.12554 ↗
47. Atomic scale structure of sputtered metal multilayers10.1016/s1359-6454(01)00287-7 ↗
48. Application of molecular dynamics to the study of hydrogen embrittlement in Ni-Cr-Fe alloys10.1103/physrevb.40.10322 ↗
49. Fast parallel algorithms for short-range molecular dynamics10.1006/jcph.1995.1039 ↗
50. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/physrevb.54.11169 ↗
51. Ideal shear strengths of fcc aluminum and copper10.1103/physrevlett.82.2713 ↗
52. Ideal pure shear strength of aluminum and copper10.1126/science.1076652 ↗
53. Shear deformation, ideal strength, and stacking fault formation of fcc metals: A density-functional study of Al and Cu10.1103/physrevb.79.224103 ↗
54. Ideal shear strain of metals and ceramics10.1103/physrevb.70.104104 ↗
55. Temperature-dependent ideal strength and stacking fault energy of fcc Ni: A first-principles study of shear deformation10.1088/0953-8984/24/15/155402 ↗
56. Tensile and shear loading of four fcc high-entropy alloys: A first-principles study10.1103/physrevb.97.094102 ↗
57. The ideal strength of tungsten10.1080/01418610108216634 ↗
58. ADAIS: Automatic derivation of anisotropic ideal strength via high-throughput first-principles computations10.1016/j.cpc.2018.12.012 ↗
59. Study of a bcc multi-principal element alloy: Tensile and simple shear properties and underlying deformation mechanisms10.1016/j.actamat.2017.09.062 ↗
60. Local slip resistances in equal-molar MoNbTi multi-principal element alloy10.1016/j.actamat.2020.10.042 ↗
61. Line-length-dependent dislocation glide in refractory multi-principal element alloys10.1063/5.0080849 ↗
62. Special quasirandom structures10.1103/physrevlett.65.353 ↗
63. Efficient stochastic generation of special quasirandom structures10.1016/j.calphad.2013.06.006 ↗
64. Visualization and analysis of atomistic simulation data with OVITO—The Open Visualization Tool10.1088/0965-0393/18/1/015012 ↗
65. Effects of lattice distortion and chemical short-range order on the mechanisms of deformation in medium entropy alloy CoCrNi10.1016/j.actamat.2020.08.044 ↗
66. Scalable parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys10.1103/physrevb.85.184203 ↗
67. An approximate theory of order in alloys10.1103/physrev.77.669 ↗
68. The number of independent pair-correlation functions in multicomponent systems10.1107/s0021889871006174 ↗
69. The Peierls stress of dislocations: An analytic formula10.1103/physrevlett.78.266 ↗
70. Generalized stacking fault energies and Peierls stresses in refractory body-centered cubic metals from machine learning-based interatomic potentials10.1016/j.commatsci.2021.110364 ↗
71. Local-environment dependence of stacking fault energies in concentrated solid-solution alloys10.1038/s41524-019-0150-y ↗
72. Fluctuations in stacking fault energies improve irradiation tolerance of concentrated solid-solution alloys10.1016/j.jnucmat.2019.151886 ↗
73. Microstructure and properties of a refractory high-entropy alloy after cold working10.1016/j.jallcom.2015.07.209 ↗
74. Effects of cold rolling and subsequent annealing on the microstructure of a HfNbTaTiZr high-entropy alloy10.1557/jmr.2016.445 ↗
75. Thermodynamic instability of a nanocrystalline, single-phase TiZrNbHfTa alloy and its impact on the mechanical properties10.1016/j.actamat.2017.09.035 ↗
76. Phase transformations of HfNbTaTiZr high-entropy alloy at intermediate temperatures10.1016/j.scriptamat.2018.08.032 ↗
77. Aging behavior of the HfNbTaTiZr high entropy alloy10.1016/j.matlet.2017.09.094 ↗
78. Searching for next single-phase high-entropy alloy compositions10.3390/e15104504 ↗
79. Characterization of nucleation behavior in temperature-induced BCC-to-HCP phase transformation for high entropy alloy10.1007/s40195-021-01282-6 ↗
80. Phase decomposition and strengthening in HfNbTaTiZr high entropy alloy from first-principles calculations10.1016/j.actamat.2021.117582 ↗
81. Structure identification methods for atomistic simulations of crystalline materials10.1088/0965-0393/20/4/045021 ↗
82. Shear deformation helps phase transition in pure iron thin films with ‘inactive’ surfaces: A molecular dynamics study10.3390/cryst10100855 ↗
83. Structural-disorder and its effect on mechanical properties in single-phase TaNbHfZr high-entropy alloy10.1016/j.actamat.2016.01.018 ↗
84. Phase transition in medium entropy alloy CoCrNi under quasi-isentropic compression10.1016/j.ijplas.2022.103389 ↗
85. Multi-scale investigation of chemical short range order and dislocation glide in the MoNbTi and TaNbTi refractory multi-principal element alloys10.48550/arXiv.2203.03767 ↗