Tailoring structural, mechanical, and electronic properties of (Ti0.25Ta0.25Zr0.25Nb0.25-La )C high-entropy carbide ceramics via rare-earth La incorporation: A comprehensive first-principles study
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: Advanced materials and composites · High Entropy Alloys Studies · Intermetallics and Advanced Alloy Properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (81)
Show source-provided references
1. Transition metal compounds: from properties, applications to wettability regulation10.1016/j.cis.2023.103027 ↗
2. Review on ultra-high temperature boride ceramics10.1016/j.pmatsci.2020.100651 ↗
3. A comparative study the structural, mechanical, and electronic properties of medium-entropy MAX phase (TiZrHf)2SC with Ti2SC, Zr2SC, Hf2SC via first-principles10.1016/j.jmrt.2022.06.040 ↗
4. Regulating the formation ability and mechanical properties of high-entropy transition metal carbides by carbon stoichiometry10.1016/j.jmst.2021.12.063 ↗
5. Achieving ultra-broadband electromagnetic wave absorption in high-entropy transition metal carbides (HE TMCs)10.1007/s40145-021-0554-2 ↗
6. Machine-learning-potential-driven prediction of high-entropy ceramics with ultra-high melting points
7. Correlating structure and orbital occupation with the stability and mechanical properties of 3d transition metal carbides10.1016/j.jallcom.2021.161866 ↗
8. Transition metal carbides towards electromagnetic wave absorption application: state of the art and perspectives
9. Recent advances in growth of transition metal carbides and nitrides (MXenes) crystals10.1002/adfm.202111357 ↗
10. Transition metal carbides/nitrides (MXenes): properties, synthesis, functional modification and photocatalytic application
11. A DFT insight into the mechanical, electronic and thermodynamic properties of (TiZrHf)C medium-entropy carbide ceramic10.1016/j.rinp.2022.105341 ↗
12. Defect energetics and stacking fault formation in high-entropy carbide ceramics10.1016/j.jeurceramsoc.2022.05.046 ↗
13. Nanocrystalline high-entropy carbide ceramics with improved mechanical properties10.1111/jace.18100 ↗
14. Optimized process and superior toughness of a (HfNbTaTiW)C high entropy carbide ceramic10.1016/j.ceramint.2024.06.017 ↗
15. Progress in densification and toughening of high entropy carbide ceramics10.1016/j.jmst.2023.03.034 ↗
16. Lattice distortion in high‐entropy carbide ceramics from first‐principles calculations10.1111/jace.17600 ↗
17. High entropy cemented carbide coupling high entropy ceramic and high entropy alloy
18. Lattice distortion and the influence on mechanical and thermodynamic properties of high entropy (HfZrTaNbTi)X (X=C, N, NC) by Ab initio investigation10.1016/j.ceramint.2022.08.137 ↗
19. Stability, mechanical, and thermodynamic behaviors of (TiZrHfTaM)C (M=Nb, Mo, W, V, Cr) high-entropy carbide ceramics10.1016/j.jallcom.2022.163868 ↗
20. Unveiling the oxidation mechanisms of high-entropy carbides through atomic-scale dynamic observation10.1002/adma.202417846 ↗
21. Host lattice and solid solution formation in an octal-cation (NbTaZrTiHfVWMo)C high entropy carbide ceramic10.1016/j.jeurceramsoc.2023.06.061 ↗
22. Ablation behaviour of (Hf-Ta-Zr-Nb)C high entropy carbide ceramic at temperatures above 2100 °C10.1016/j.jmst.2021.09.064 ↗
23. Dual sinter-aids to fabricate high-entropy transition metal carbide ceramic and their properties10.1016/j.ceramint.2024.05.201 ↗
24. Discovery of the high-entropy carbide ceramic topological superconductor candidate (Ti0.2Zr0.2Nb0.2Hf0.2Ta0.2)C10.1002/adfm.202301929 ↗
25. Predicting mechanical and thermal properties of high‐entropy ceramics via transferable machine‐learning‐potential‐based molecular dynamics
26. Accelerated discovery and formation mechanism of high-entropy carbide ceramics using machine learning based on low-cost descriptors10.1016/j.jallcom.2024.175929 ↗
27. Machine learning of carbon vacancy formation energy in high-entropy carbides10.1016/j.jeurceramsoc.2022.11.044 ↗
28. Point defect properties in high entropy MAX phases from first-principles calculations10.1016/j.actamat.2023.118783 ↗
29. A practical guideline for designing high-entropy carbides based on (Ti1/3Mo1/3W1/3)C with high valence electron concentration10.1016/j.jallcom.2023.172073 ↗
30. Design high-entropy carbide ceramics from machine learning10.1038/s41524-021-00678-3 ↗
31. Carbon stoichiometry and mechanical properties of high entropy carbides10.1016/j.actamat.2021.117051 ↗
32. Plasmonic high-entropy carbides10.1038/s41467-022-33497-1 ↗
33. A first-principles study the effects of nitrogen on the lattice distortion, mechanical, and electronic properties of (ZrHfNbTa)C1-xNx high entropy carbonitrides10.1016/j.jallcom.2022.167378 ↗
34. First-principles study, fabrication and characterization of (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramics10.1016/j.actamat.2019.03.021 ↗
35. Single-phase formation and mechanical properties of (TiZrNbTaMo)C high-entropy ceramics: first-Principles prediction and experimental study10.1016/j.jeurceramsoc.2021.12.058 ↗
36. Compositional optimization for enhanced oxidation resistance of high-entropy carbide ceramics10.1016/j.actamat.2024.120463 ↗
37. Microstructures and properties of high-entropy alloys10.1016/j.pmatsci.2013.10.001 ↗
38. Transition-metal carbides10.1016/0079-6786(71)90028-8 ↗
39. Structure of transition metal carbides
40. Efficient stochastic generation of special quasirandom structures10.1016/j.calphad.2013.06.006 ↗
41. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
42. Ab initio molecular dynamics for liquid metals10.1103/PhysRevB.47.558 ↗
43. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
44. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
45. Special points for Brillouin-zone integrations10.1103/PhysRevB.13.5188 ↗
46. Elastic and thermodynamic properties of high entropy carbide (HfTaZrTi)C and (HfTaZrNb)C from ab initio investigation10.1016/j.ceramint.2020.03.045 ↗
47. First-principles study on the structure, mechanical and thermodynamic properties of (Ti, Hf, Nb, ta)c high-entropy carbide ceramics10.1016/j.ceramint.2024.04.032 ↗
48. Lattice distortion enhanced hardness in high-entropy borides
49. Multifunctional high entropy alloys enabled by severe lattice distortion
50. Effect of lattice distortion on solid solution strengthening of BCC high-entropy alloys10.1016/j.jmst.2017.07.013 ↗
51. Mining of lattice distortion, strength, and intrinsic ductility of refractory high entropy alloys10.1038/s41524-023-00993-x ↗
52. Unraveling lattice-distortion hardening mechanisms in high-entropy carbides
53. Crystal instabilities at finite strain10.1103/PhysRevLett.71.4182 ↗
54. Crystal structures and elastic properties of superhard IrN2 and IrN3 from first principles
55. Mechanical stability of possible structures of PtN investigated using first-principles calculations10.1103/PhysRevB.73.104118 ↗
56. Elastic properties of polycrystals in the voigt-reuss-hill approximation10.1107/S0021889892004874 ↗
57. XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals10.1080/14786440808520496 ↗
58. Elastic and mechanical properties of Mg3Rh intermetallic compound: an ab initio study10.1016/j.jma.2016.04.003 ↗
59. The elastic constants of anisotropic materials10.1103/RevModPhys.18.409 ↗
60. Elastic anisotropy in Zirconia single crystals10.1111/j.1151-2916.1988.tb05858.x ↗
61. Elastic anisotropy factors for orthorhombic, tetragonal, and hexagonal crystals10.1103/PhysRevB.58.8980 ↗
62. Electronic and dynamical properties of NiAl studied from first principles10.1016/j.intermet.2011.05.019 ↗
63. Poisson's ratio and crustal seismology10.1029/95JB03446 ↗
64. Poisson's ratio and modern materials10.1038/nmat3134 ↗
65. Tensile properties of high-and medium-entropy alloys10.1016/j.intermet.2013.03.018 ↗
66. Structural and elastic properties of ZrC under high pressure10.1016/j.matchemphys.2009.02.031 ↗
67. Modeling hardness of polycrystalline materials and bulk metallic glasses10.1016/j.intermet.2011.03.026 ↗
68. The determination of yield strength from hardness measurements10.1007/BF02913433 ↗
69. Simple and accurate model of fracture toughness of solids10.1063/1.5066311 ↗
70. Pressure and temperature effects on (TiZrTa)C medium-entropy carbide from first-principles10.1016/j.jmrt.2023.01.194 ↗
71. Dislocation energies in anisotropic crystals10.1016/0001-6160(55)90036-5 ↗
72. Energy factor of dislocations in hexagonal crystals10.1002/pssa.2210350240 ↗
73. Dislocation widths in anisotropic BCC crystals10.1016/0001-6160(66)90266-5 ↗
74. Irradiation damage in (Zr0.25Ta0.25Nb0.25Ti0.25)C high-entropy carbide ceramics10.1016/j.actamat.2020.06.011 ↗
75. Novel refractory high-entropy metal-ceramic composites with superior mechanical properties10.1016/j.ijrmhm.2023.106524 ↗
76. Frist-principles prediction of elastic, electronic, and thermodynamic properties of high entropy carbide ceramic (TiZrNbTa)C10.1007/s12598-021-01834-w ↗
77. VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data10.1107/S0021889811038970 ↗
78. Analytic nearest-neighbor model for fcc metals10.1103/PhysRevB.37.3924 ↗
79. Theoretical predictions of structure and related properties of intermetallics10.1179/mst.1992.8.4.345 ↗
80. Ab initio calculations of elastic constants and thermodynamic properties of NiAl under high pressures10.1016/j.commatsci.2008.05.026 ↗
81. Structural, mechanical, thermodynamic and electronic properties of Pt3M (M = Al, Co, Hf, Sc, Y, Zr) compounds under high pressure10.1007/s12598-020-01656-2 ↗