Mixing the transition metals in transition metal diborides
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: Intermetallics and Advanced Alloy Properties · Advanced materials and composites · Metal and Thin Film Mechanics
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (80)
Show source-provided references
1. W. G. Fahrenholtz, E. J. Wuchina, W. E. Lee, and Y. Zhou, Ultra-High Temperature Ceramics: Materials for Extreme Environment Applications. Wiley, 2014. [Online]. Available: https://books.google.com/books?id=zF\_KBAAAQBAJ.10.1002/9781118700853 ↗
2. Will high-entropy carbides and borides be enabling materials for extreme environments?
3. General Trends in Electronic Structure, Stability, Chemical Bonding and Mechanical Properties of Ultrahigh Temperature Ceramics TMB2 (TM = transition metal)10.1016/j.jmst.2014.09.014 ↗
4. Sorting transition-metal diborides: New descriptor for mechanical properties10.1016/j.actamat.2021.116685 ↗
5. High-Entropy Alloys: A Critical Review10.1080/21663831.2014.912690 ↗
6. High-Entropy Metal Diborides: A New Class of High-Entropy Materials and a New Type of Ultrahigh Temperature Ceramics10.1038/srep37946 ↗
7. Improved densification and hardness of high-entropy diboride ceramics from fine powders synthesized via borothermal reduction process10.1016/j.ceramint.2020.02.214 ↗
8. Dense and pure high-entropy metal diboride ceramics sintered from self-synthesized powders via boro/carbothermal reduction approach10.1007/s40843-019-9469-4 ↗
9. Dense high-entropy boride ceramics with ultra-high hardness10.1016/j.scriptamat.2019.01.021 ↗
10. Synthesis and Characterization of High-Purity, High-Entropy Diboride Ceramic Powders by a Liquid Phase Method10.3390/ma16237431 ↗
11. High-pressure high-temperature synthesis and thermal equation of state of high-entropy transition metal boride10.1063/5.0045592 ↗
12. High‐pressure sintering of ultrafine‐grained high‐entropy diboride ceramics10.1111/jace.17387 ↗
13. Y. Wang, G. Gan, W. Wang, Y. Yang, and B. Tang, “Ab Initio Prediction of Mechanical and Electronic Properties of Ultrahigh Temperature High‐Entropy Ceramics (Hf 0.2 Zr 0.2 Ta 0.2 M 0.2 Ti 0.2)B 2 (M = Nb, Mo, Cr),” Phys. Status Solidi B, vol. 255, no. 8, p. 1800011, Aug. 2018, doi: 10.1002/pssb.201800011.10.1002/pssb.201800011 ↗
14. Ultra-incompressible High-Entropy Diborides10.1021/acs.jpclett.1c00399 ↗
15. Superhard high-entropy AlB2-type diboride ceramics10.1016/j.scriptamat.2021.113855 ↗
16. 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 ↗
17. Synergic grain boundary segregation and precipitation in W- and W-Mo-containing high-entropy borides10.1016/j.jeurceramsoc.2021.04.004 ↗
18. Microstructure and properties of high-entropy diboride composites prepared by pressureless sintering10.1016/j.jallcom.2023.169975 ↗
19. The effect of chemical element on hardness in high-entropy transition metal diboride ceramics10.1016/j.jeurceramsoc.2023.06.003 ↗
20. 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 ↗
21. Microstructures and oxidation mechanisms of (Zr0.2Hf0.2Ta0.2Nb0.2Ti0.2)B2 high-entropy ceramic10.1016/j.jeurceramsoc.2021.12.036 ↗
22. High-entropy transition metal diborides by reactive and non-reactive spark plasma sintering: A comparative investigation10.1016/j.jeurceramsoc.2019.10.031 ↗
23. Part II: Experimental verification of computationally predicted preferential oxidation of refractory high entropy ultra-high temperature ceramics10.1016/j.actamat.2020.07.004 ↗
24. Anisotropic thermal expansion in high-entropy multicomponent AlB 2 -type diboride solid solutions
25. Strong high-entropy diboride ceramics with oxide impurities at 1800°C10.1007/s40843-022-2287-7 ↗
26. First-principles prediction, fabrication and characterization of (Hf0.2Nb0.2Ta0.2Ti0.2Zr0.2)B2 high-entropy borides10.1016/j.ceramint.2022.02.281 ↗
27. Temperature Dependent Thermal and Elastic Properties of High Entropy (Ti0.2Zr0.2Hf0.2Nb0.2Ta0.2)B2: Molecular Dynamics Simulation by Deep Learning Potential10.1016/j.jmst.2020.07.014 ↗
28. Phase diagram and mechanical properties of fifteen quaternary high-entropy metal diborides: First-principles calculations and thermodynamics10.1063/5.0079808 ↗
29. Comparative first-principles study of the (TiZrHfNbTa)B2 high entropy solid solution and its constituent binary diborides10.1016/j.cocom.2022.e00762 ↗
30. Computational materials discovery: the case of the W–B system10.1107/S2053229613027551 ↗
31. Crystal Structures, Stabilities, Electronic Properties, and Hardness of MoB 2 : First-Principles Calculations10.1021/acs.inorgchem.6b00899 ↗
32. Thermal stability and mechanical properties of sputtered (Hf,Ta,V,W,Zr)-diborides10.1016/j.actamat.2020.09.018 ↗
33. First principles calculations and synthesis of multi-phase (HfTiWZr)B2 high entropy diboride ceramics: Microstructural, mechanical and thermal characterization10.1016/j.jeurceramsoc.2022.10.047 ↗
34. D. Sholl and J. A. Steckel, Density Functional Theory: A Practical Introduction. Hoboken, NJ, USA: Wiley, 2011. [Online]. Available: https://books.google.com/books?id=_f994dmAdv0C.
35. V. N. Zharkov and V. A. Kalinin, Equations of State for Solids at High Pressures and Temperatures. Springer US, 1971. [Online]. Available: https://books.google.com/books?id=D6zvAAAAMAAJ.10.1007/978-1-4757-1517-0 ↗
36. Mean-field potential approach to the quasiharmonic theory of solids10.1002/qua.10769 ↗
37. Calculations of thermophysical properties of cubic carbides and nitrides using the Debye–Grüneisen model10.1016/j.actamat.2006.05.054 ↗
38. Implementation strategies in phonopy and phono3py10.1088/1361-648X/acd831 ↗
39. First-principles Phonon Calculations with Phonopy and Phono3py10.7566/JPSJ.92.012001 ↗
40. The compound energy formalism10.1016/S0925-8388(00)01481-X ↗
41. pycalphad: CALPHAD-based Computational Thermodynamics in Python10.5334/jors.140 ↗
42. V. N. Zharkov and V. A. Kalinin, Equations of State for Solids at High Pressures and Temperatures. Boston, MA: Springer US, 1971. doi: 10.1007/978-1-4757-1517-0.10.1007/978-1-4757-1517-0 ↗
43. Mean‐field potential approach to the quasiharmonic theory of solids10.1002/qua.10769 ↗
44. Theoretical modeling of molar volume and thermal expansion10.1016/j.actamat.2005.01.049 ↗
45. A simplified method for calculating the debye temperature from elastic constants10.1016/0022-3697(63)90067-2 ↗
46. Calculations of thermophysical properties of cubic carbides and nitrides using the Debye–Grüneisen model10.1016/j.actamat.2006.05.054 ↗
47. The role of entropy and enthalpy in high entropy carbides10.1016/j.commatsci.2022.111474 ↗
48. Density functional theory predictions of the Hf-HfC-HfN ternary: Phase stability and properties10.1016/j.commatsci.2024.112803 ↗
49. High-entropy alloys10.1038/s41578-019-0121-4 ↗
50. Review of high entropy ceramics: design, synthesis, structure and properties10.1039/C9TA05698J ↗
51. van de Walle · “automating First-Principles Phase Diagram Calculations, · 2002 · doi
52. Self-driven lattice-model Monte Carlo simulations of alloy thermodynamic properties and phase diagrams10.1088/0965-0393/10/5/304 ↗
53. Processing and Properties of High-Entropy Ultra-High Temperature Carbides10.1038/s41598-018-26827-1 ↗
54. Microstructure of (Hf-Ta-Zr-Nb)C high-entropy carbide at micro and nano/atomic level10.1016/j.jeurceramsoc.2018.05.006 ↗
55. Diffusion of 44Ti in TiCx10.1063/1.1658229 ↗
56. Material properties of titanium diboride10.6028/jres.105.057 ↗
57. The alloy theoretic automated toolkit: A user guide10.1016/S0364-5916(02)80006-2 ↗
58. Z.-K. Liu and Y. Wang, Computational Thermodynamics of Materials, 1st ed. Cambridge University Press, 2016. doi: 10.1017/CBO9781139018265.10.1017/CBO9781139018265 ↗
59. Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated Toolkit10.1016/j.calphad.2008.12.005 ↗
60. Efficient stochastic generation of special quasirandom structures10.1016/j.calphad.2013.06.006 ↗
61. D. Sholl and J. A. Steckel, Density Functional Theory: A Practical Introduction. Wiley, 2009. [Online]. Available: https://books.google.com/books?id=Q8iNmtswLWYC.10.1002/9780470447710 ↗
62. Ab initio molecular dynamics for liquid metals
63. Projector augmented-wave method
64. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
65. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
66. From ultrasoft pseudopotentials to the projector augmented-wave method
67. Generalized Gradient Approximation Made Simple
68. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
69. First-principles phase diagram calculations for the HfC–TiC, ZrC–TiC, and HfC–ZrC solid solutions
70. Y. S. Touloukian, R. K. Kirby, E. R. M. Taylor, and T. Y. R. Lee, “Thermophysical Properties of Matter - the TPRC Data Series. Volume 13. Thermal Expansion - Nonmetallic Solids,” 1977.10.1007/978-1-4757-1631-3_1 ↗
71. M. Chase, NIST-JANAF Thermochemical Tables, 4th Edition. American Institute of Physics, -1, 1998.
72. Solid state properties of group IVb carbonitrides10.1016/0925-8388(94)01315-9 ↗
73. Y. S. Touloukian and E. H. Buyco, “Thermophysical properties of matter - the TPRC data series. Volume 5. Specific heat - nonmetallic solids. (Reannouncement). Data book,” Jan. 1970, [Online]. Available: https://www.osti.gov/biblio/5303501.10.1007/978-1-4757-6554-0_6 ↗
74. Thermal expansion studies on the group IV–VII transition metal diborides10.1016/0022-5088(88)90219-6 ↗
75. The importance of the vibrational entropy in the mixing stabilization for complex ceramics
76. A. R. Cooper and A. H. Heuer, Eds., Mass Transport Phenomena in Ceramics. Boston, MA: Springer US, 1975. doi: 10.1007/978-1-4684-3150-6.10.1007/978-1-4684-3150-6 ↗
77. P. K. Gupta, “Multi-Component Spinodal Decomposition,” in Mass Transport Phenomena in Ceramics, A. R. Cooper and A. H. Heuer, Eds., Boston, MA: Springer US, 1975, pp. 123–138. doi: 10.1007/978-1-4684-3150-6_8.10.1007/978-1-4684-3150-6_8 ↗
78. Chemical bonding in AlB2-type borides10.1016/0022-5088(76)90096-5 ↗
79. Mystery of Three Borides: Differential Metal–Boron Bonding Governing Superhard Structures10.1021/acs.chemmater.7b04378 ↗
80. Thermal properties of ZrB2-TiB2 solid solutions10.1016/j.jeurceramsoc.2021.08.004 ↗