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