Design of superhard high-entropy diborides via high-throughput DFT and thermodynamics calculations
Bibliographic record
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: High Entropy Alloys Studies · Advanced materials and composites · Diamond and Carbon-based Materials Research
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (72)
Show source-provided references
1. High-entropy alloys10.1038/s41578-019-0121-4 ↗
2. High-entropy ceramics10.1038/s41578-019-0170-8 ↗
3. Disordered enthalpy-entropy descriptor for high-entropy ceramics discovery10.1038/s41586-023-06786-y ↗
4. High-entropy ultra-high-temperature borides and carbides: a new class of materials for extreme environments10.1146/annurev-matsci-080819-121217 ↗
5. Nanostructured high-entropy alloys with multiple principal elements: novel alloy design concepts and outcomes10.1002/adem.200300567 ↗
6. Microstructural development in equiatomic multicomponent alloys10.1016/j.msea.2003.10.257 ↗
7. Theoretical prediction of high entropy intermetallic compound phase via first principles calculations, artificial neuron network and empirical models: A case of equimolar AlTiCuCo10.1016/j.physb.2022.414275 ↗
8. Entropy-stabilized oxides10.1038/ncomms9485 ↗
9. Processing and properties of high-entropy ultra-high temperature carbides10.1038/s41598-018-26827-1 ↗
10. (Hf0.2Zr0.2Ta0.2Nb0.2Ti0.2)C high-entropy ceramics with low thermal conductivity10.1111/jace.15779 ↗
11. High-entropy high-hardness metal carbides discovered by entropy descriptors10.1038/s41467-018-07160-7 ↗
12. Phase stability and mechanical properties of novel high entropy transition metal carbides10.1016/j.actamat.2018.12.054 ↗
13. Elastic and thermodynamic properties of high entropy carbide (HfTaZrTi)C and (HfTaZrNb)C from ab initio investigation10.1016/j.ceramint.2020.03.045 ↗
14. Phase stability, mechanical properties and melting points of high-entropy quaternary metal carbides from first-principles10.1016/j.jeurceramsoc.2021.05.022 ↗
15. Stability and mechanical properties of single-phase quinary high-entropy metal carbides: First-principles theory and thermodynamics10.1016/j.jeurceramsoc.2022.02.034 ↗
16. Valence electron concentration as key parameter to control the fracture resistance of refractory high-entropy carbides10.1126/sciadv.adi2960 ↗
17. Prediction of mechanical and thermo-physicalproperties of (Nb-Ti-V-Zr)C high entropy ceramics: A first principles study10.1016/j.jpcs.2020.109859 ↗
18. Mechanochemical-assisted synthesis of high-entropy metal nitride via a soft urea strategy10.1002/adma.201707512 ↗
19. Strain-stabilized al-containing high-entropy sublattice nitrides10.1016/j.actamat.2021.117483 ↗
20. High-entropy metal diborides: a new class of high-entropy materials and a new type of ultrahigh temperature ceramics10.1038/srep37946 ↗
21. Phase diagram and mechanical properties of fifteen quaternary high-entropy metal diborides: First-principles calculations and thermodynamics
22. First-principles prediction, fabrication and characterization of (Hf0.2Nb0.2Ta0.2Ti0.2Zr0.2)B2 high-entropy borides10.1016/j.ceramint.2022.02.281 ↗
23. Phase stability, mechanical and thermodynamic properties of (Hf, Zr, Ta, M)B2 (M= Nb, Ti, Cr, W) quaternary high-entropy diboride ceramics via first-principles calculations10.1016/j.ceramint.2023.08.034 ↗
24. Data-driven discovery of a formation prediction rule on high-entropy ceramics10.1016/j.actamat.2023.118955 ↗
25. Formation ability descriptors for high-entropy diborides established through high-throughput experiments and machine learning10.1016/j.actamat.2023.119132 ↗
26. Two-step synthesis process for high-entropy diboride powders10.1111/jace.16801 ↗
27. Processing of dense high-entropy boride ceramics10.1016/j.jeurceramsoc.2020.03.065 ↗
28. Compositional disorder and sintering of entropy stabilized (Hf, Nb, Ta, Ti, Zr)B2 solid solution powders10.1016/j.jeurceramsoc.2020.04.026 ↗
29. Novel processing route for the fabrication of bulk high-entropy metal diborides10.1016/j.scriptamat.2018.08.039 ↗
30. Dense high-entropy boride ceramics with ultra-high hardness10.1016/j.scriptamat.2019.01.021 ↗
31. Microstructure and mechanical properties of high-entropy borides derived from boro/carbothermal reduction10.1016/j.jeurceramsoc.2019.05.017 ↗
32. Improved densification and hardness of high-entropy diboride ceramics from fine powders synthesized via borothermal reduction process10.1016/j.ceramint.2020.02.214 ↗
33. Dense and pure high-entropy metal diboride ceramics sintered from self-synthesized powders via boro/carbothermal reduction approach10.1007/s40843-019-9469-4 ↗
34. Dissolving and stabilizing soft WB2 and MoB2 phases into high-entropy borides via boron-metals reactive sintering to attain higher hardness10.1016/j.jeurceramsoc.2020.03.063 ↗
35. High pressure sintering of ultrafine grained high-entropy diboride ceramics10.1111/jace.17387 ↗
36. Oscillatory pressure sintering of high entropy (Zr0.2Ta0.2Nb0.2Hf0.2Mo0.2)B2 ceramic10.1016/j.ceramint.2020.11.108 ↗
37. Synthesis of superfine high-entropy metal diboride powders10.1016/j.scriptamat.2019.03.038 ↗
38. Local structure in high-entropy transition metal diborides10.1016/j.actamat.2022.118294 ↗
39. Chrysanthemum-like high-entropy diboride nanoflowers: A new class of high-entropy nanomaterials10.1007/s40145-020-0373-x ↗
40. Thermal stability and mechanical properties of sputtered (Hf, Ta, V, W, Zr)-diborides10.1016/j.actamat.2020.09.018 ↗
41. Quantitative inspection of grain-scale chemical inhomogeneities in high-entropy AlB2-type transition metal diborides10.1111/jace.18619 ↗
42. Novel (Hf0.2Zr0.2Ta0.2V0.2Nb0.2)B2 high entropy diborides with superb hardness sintered by SPS under a mild condition10.1016/j.ceramint.2022.07.040 ↗
43. First-principles simulation: ideas, illustrations and the CASTEP code
44. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
45. Generalized norm-conserving pseudopotentials10.1103/PhysRevB.40.2980 ↗
46. Structure, phase transition, and electronic properties of K1−xNaxNbO3 solid solutions from first-principles theory10.1111/jace.13188 ↗
47. Phase stability, electronic structures, and superconductivity properties of the BaPb1−xBixO3 and Ba1−xKxBiO3 perovskites10.1111/jace.14605 ↗
48. Compositional phase diagram and microscopic mechanism of Ba1−xCaxZryTi1−yO3 relaxor ferroelectrics10.1039/C7CP04530A ↗
49. Discovery of novel low modulus Nb-Ti-Zr biomedical alloys via combined machine learning and first principles approach10.1016/j.matchemphys.2023.127537 ↗
50. Zur elektronentheorie der metalle. I10.1002/andp.19314010507 ↗
51. Virtual-crystal approximation that works: Locating a compositional phase boundary in Pb(Zr1−xTix)O310.1103/PhysRevB.62.R743 ↗
52. Virtual crystal approximation revisited: Application to dielectric and piezoelectric properties of perovskites10.1103/PhysRevB.61.7877 ↗
53. Indirect-to-direct gap transition in strained and unstrained SnxGe1−x alloys10.1103/PhysRevB.89.165201 ↗
54. Enhanced electron–phonon coupling near the lattice instability of superconducting NbC1−xNx from density-functional calculations10.1103/PhysRevB.84.104506 ↗
55. The elastic behavior of crystalline aggregate10.1088/0370-1298/65/5/307 ↗
56. Microscopic theory of hardness and design of novel superhard crystals10.1016/j.ijrmhm.2012.02.021 ↗
57. Simple and accurate model of fracture toughness of solids10.1063/1.5066311 ↗
58. Broek · 1982
59. Prediction of high-entropy stabilized solid-solution in multi-component alloys10.1016/j.matchemphys.2011.11.021 ↗
60. First-principles study of thermodynamic miscibility, structures, and optical properties of Cs2Sn(X1−xYx)6 (X, Y = I, Br, Cl) lead-free perovskite solar cells
61. Elastic constants versus melting temperature in metals10.1016/0036-9748(84)90267-9 ↗
62. Calculated elastic constants and structural properties of Mo and MoSi210.1103/PhysRevB.43.6500 ↗
63. Born · 1954
64. Effect of Nb content on the phase composition, densification, microstructure, and mechanical properties of high-entropy boride ceramics10.1016/j.jeurceramsoc.2020.08.058 ↗
65. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals10.1080/14786440808520496 ↗
66. Frantsevich · 1983 · 60
67. Electronic mechanism of hardness enhancement in transition-metal carbonitrides10.1038/20148 ↗
68. First-principles calculations for the elastic properties of nanostructured superhard TiN/SixNy superlattices
69. The conflicts between strength and toughness10.1038/nmat3115 ↗
70. Diffusion-controlled alloying of single-phase multi-principal transition metal carbides with high toughness and low thermal diffusivity10.1063/1.5054954 ↗
71. Valence electron concentration as an indicator for mechanical properties in rocksalt structure nitrides, carbides and carbonitrides10.1016/j.actamat.2018.04.033 ↗
72. Solid state physics