journal article·2025-01

Predicting potential hard materials in Nb B ternary boride: First-principles calculations

Qinzhi Huang, Qingrui Lin, Yang Xu, Yong Cao

Publisher page

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

References (47)

Show source-provided references
1. Novel superhard BCN synthesized by microwave plasma CVD1010.1016/j.diamond.2024.111370 ↗
2. Superhard boron suboxide (B6O): crystal structure, synthesis, properties, applications, and materials based thereon10.1016/j.mencom.2022.03.002 ↗
3. Inverse-designed diamond photonics10.1038/s41467-019-11343-1 ↗
4. A concept for the design of novel superhard coatings10.1016/0040-6090(95)06695-0 ↗
5. A thermodynamic criterion for designing superhard transition-metal borides with ultimate boron content10.1016/j.commatsci.2012.10.021 ↗
6. Extraordinary indentation strain stiffening produces Superhard tungsten nitrides10.1103/PhysRevLett.119.115503 ↗
7. Synthesis of ultra-incompressible superhard rhenium diboride at ambient pressure10.1126/science.1139322 ↗
8. Ternary boride Hf3PB4: insights into the physical properties of the hardest possible boride MAX phase10.1016/j.jallcom.2020.158264 ↗
9. Investigation of aluminium alloys to enhance their mechanical properties
10. Investigation on mechanochemical behavior of Al/mg-B2O3-Nb system reactive mixtures to synthesize niobium diboride10.1016/j.ijrmhm.2014.10.017 ↗
11. Critical role of ZrO2 on densification and microstructure development in spark plasma sintered NbB210.1016/j.actamat.2018.03.049 ↗
12. Mechanochemical synthesis of NbC-NbB2 nanocomposite from the mg/B2O3/Nb/C powder mixtures10.1016/j.ceramint.2014.12.095 ↗
13. The systems tantalum (niobium)-cobalt-boron10.1007/s11669-013-0275-5 ↗
14. A first-principles study on the potential of MAB2 (M=Nb, ta; a=co, Ni) ternary borides as friction-resistance cermet10.1016/j.ssc.2022.114971 ↗
15. HT-NbOsB: experimental and theoretical investigations of a boride structure type containing boron chains and isolated boron atoms10.1002/ejic.201800235 ↗
16. Experimental and theoretical investigations of the ternary boride NbRuB with a Layerlike structure type10.1002/ejic.201301488 ↗
17. Insight into the mechanical, thermodynamics and superconductor properties of NbRuB via first-principles calculation
18. Elastic, thermodynamic, electronic, and optical properties of recently discovered superconducting transition metal boride NbRuB: an ab-initio investigation10.1088/1674-1056/26/10/106201 ↗
19. Influence of chemical bonding and magnetism on elastic properties of the A2MB2 borides (a=Nb, ta; M=Fe, Ru, Os) from first-principles calculations10.1016/j.commatsci.2015.03.036 ↗
20. Metallic superhard CaB with novel waffle-like boron backbone1210.1016/j.actamat.2024.119950 ↗
21. Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
22. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
23. Stability, electronic structure, mechanical and thermodynamic properties of Fe-Si binary compounds10.1016/j.jallcom.2016.09.225 ↗
24. Phase stability, mechanical properties and electronic structures of TiAl binary compounds by first principles calculations10.1016/j.matchemphys.2018.09.055 ↗
25. Crystal structure of the compound NbCoB2
26. Neue Boride mit NbCoB2-Typ10.1007/BF00907313 ↗
27. A first-principles-calculation exploration of ternary borides as potential alternatives to WC-co10.1016/j.jallcom.2019.03.389 ↗
28. Synthesis, crystal structure and properties of the new superconductors TaRuB and NbOsB10.1088/0953-8984/27/41/415701 ↗
29. First-principles investigation of equilibrium phase, mechanical and thermodynamic properties of the Nowotny TM5Si3C ternary phase10.1016/j.ceramint.2022.03.329 ↗
30. Structural, elastic, electronic and optical properties of novel antiferroelectric KNaX (X¼S, se, and Te) compounds: first principles study10.1016/j.physb.2018.05.025 ↗
31. Structural electronic and mechanical properties of YM2 (M¼Mn, Fe, co) laves phase compounds: first principle calculations analyzed with data mining approach10.1016/j.ssc.2018.02.013 ↗
32. Mechanical properties and electronic structures of M23C6 (M = Fe, Cr, Mn)-type multicomponent carbides10.1016/j.jallcom.2015.07.048 ↗
33. Prediction of the mechanical properties of MoSi2 doped with Cr, Nb and W from first-principles calculations10.1016/j.jallcom.2017.04.271 ↗
34. Electronic mechanism of hardness enhancement in transition-metal carbonitrides10.1038/20148 ↗
35. Elastic properties, fracture toughness, ideal tensile strength and thermal conductivities of the stable hexagonal WB2, W2B5, WB3 and WB410.1007/s00339-022-05299-1 ↗
36. First-principles investigation of the new phases and electrochemical properties of MoSi2 as the electrode materials of lithium ion battery10.1016/j.jallcom.2018.11.352 ↗
37. Modeling hardness of polycrystalline materials and bulk metallic glasses10.1016/j.intermet.2011.03.026 ↗
38. First-principles study of mechanical, thermodynamic, transport and superconducting properties of Sr3SnO10.1016/j.jallcom.2017.09.299 ↗
39. Electronic, elastic, and thermal properties, fracture toughness, and damage tolerance of TM5Si3B (TM= V and Nb) MAB phases10.1016/j.ijrmhm.2022.105781 ↗
40. A simplified method for calculating the Debye temperature from elastic constants10.1016/0022-3697(63)90067-2 ↗
41. Newnham · 2005 · 45
42. Unveiling thermal stresses in RETaO4 (RE = Nd, Sm, Eu, Gd, Tb, Dy, ho and Er) by first-principles calculations and finite element simulations
43. Density-functional perturbation theory for quasi-harmonic calculations10.2138/rmg.2010.71.3 ↗
44. First-principles study of thermophysical properties of polymorphous YTaO4 ceramics10.1111/jace.18020 ↗
45. Design of Fe2B-based ductile high temperature ceramics: first-principles calculations and experimental validation10.1016/j.ceramint.2022.06.028 ↗
46. Probing the effect of ordered carbon vacancy on the thermophysical properties of VC1-x: a comprehensive first-principles calculations10.1016/j.ceramint.2023.04.086 ↗
47. Evaluation and test of pauling’s electronegativity scale10.1021/jp000288e ↗