The effect of carbon vacancy on the properties of ZrC by MEAM potentials
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OpenAlex topics: Metal and Thin Film Mechanics · Advanced materials and composites · Nuclear Materials and Properties
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References (58)
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1. Advances in ultra-high temperature ceramics, composites, and coatings10.1007/s40145-021-0550-6 ↗
2. Current status and future development of coated fuel particles for high temperature gas-cooled reactors10.1016/j.pnucene.2010.10.003 ↗
3. Review of phase stability in the group IVB and VB transition-metal carbides10.1111/jace.15768 ↗
4. First principle study on the mechanical response of ZrC and ZrN at high-pressure conditions: anisotropy perspective10.1080/08927022.2021.1957881 ↗
5. Mechanical properties and point defects of MC (M=Ti, Zr) from first-principles calculation10.1016/j.jallcom.2018.03.047 ↗
6. Structural, elastic and electronic properties of transition metal carbides TMC (TM=Ti, Zr, Hf and Ta) from first-principles calculations10.1016/j.ssc.2011.02.005 ↗
7. Description of structural and electronic properties of TiC and ZrC by generalized gradient approximation10.1016/S0378-4371(00)00233-8 ↗
8. First principles study the stability and mechanical properties of MC (M= Ti, V, Zr, Nb, Hf and Ta) compounds10.1016/j.jallcom.2013.08.045 ↗
9. Ab initio lattice dynamics and elastic constants of ZrC10.1007/s100510051124 ↗
10. A comparative study of the mechanical and thermal properties of defective ZrC, TiC and SiC10.1038/s41598-017-09562-x ↗
11. Ab initio study of defect structures and energetics in ZrC
12. A DFT study on pressure dependency of TiC and ZrC properties: interconnecting elastics, thermodynamics, and mechanical properties10.1016/j.ceramint.2020.12.145 ↗
13. Analysis of thermochemical properties and phase stability in the zirconium-carbon system10.1016/0925-8388(94)01310-E ↗
14. First-principles study of native point defects and diffusion behaviors of helium in zirconium carbide10.1016/j.jnucmat.2015.06.008 ↗
15. The formation energy and interaction energy of point defects in ZrC10.1016/j.jnucmat.2021.153235 ↗
16. The effects of temperature and pressure on the physical properties and stabilities of point defects and defect complexes in B1-ZrC10.1016/j.commatsci.2021.110694 ↗
17. An interatomic potential for simulation of defects and phase change of zirconium10.1016/j.commatsci.2018.01.049 ↗
18. Force-based many-body interatomic potential for ZrC10.1063/1.1567819 ↗
19. Modified embedded-atom method interatomic potentials for Ti and Zr
20. Empirical potential for carbon with application to amorphous carbon10.1103/PhysRevLett.61.2879 ↗
21. A modified embedded atom method interatomic potential for carbon10.1016/j.calphad.2005.02.003 ↗
22. Temperature-induced hcp-bcc phase transformation in zirconium: a lattice and molecular-dynamics study based on an N-body potential10.1103/PhysRevLett.63.2244 ↗
23. Second nearest-neighbor modified embedded-atom-method potential10.1103/PhysRevB.62.8564 ↗
24. Fast parallel algorithms for short-range molecular dynamics10.1006/jcph.1995.1039 ↗
25. QuantumATK: an integrated platform of electronic and atomic-scale modelling tools
26. Modified embedded-atom method interatomic potentials for the Nb-C, Nb-N, Fe-Nb-C and Fe-Nb-N system10.1557/JMR.2010.0182 ↗
27. Universal features of bonding in metals10.1103/PhysRevB.28.1835 ↗
28. Modeling hardness of polycrystalline materials and bulk metallic glasses10.1016/j.intermet.2011.03.026 ↗
29. Arc melting: a novel method to prepare homogeneous solid solutions of transition metal carbides (Zr, Ta, Hf)10.1016/j.ceramint.2019.01.238 ↗
30. Effects of carbon vacancies on the structures, mechanical properties, and chemical bonding of zirconium carbides: a first-principles study10.1039/C5CP07724A ↗
31. First-principles study of elastic and stability properties of ZrC–ZrN and ZrC–TiC alloys10.1088/0953-8984/21/39/395503 ↗
32. Phase evolution during entropic stabilization of ZrC, NbC, HfC, and TiC10.1016/j.ceramint.2022.01.033 ↗
33. Calculation of the lattice constant of solids with semi local functionals
34. The effect of oxygen impurities on the stability and structural properties of vacancy-ordered and -disordered ZrCx10.1039/D1RA07768F ↗
35. X-ray investigations of high energy ball milled transition metal carbides10.1016/0965-9773(95)00147-6 ↗
36. Analysis of thermochemical properties and phase stability in the zirconium-carbon system10.1016/0925-8388(94)01310-E ↗
37. Theoretical investigations of the effects of ordered carbon vacancies in ZrC1-x on phase stability and thermo-mechanical properties10.1016/j.actamat.2016.03.074 ↗
38. Lattice Dynamics of transition-metal carbides10.1103/PhysRevB.8.5082 ↗
39. Temperature-dependent mechanical properties of ZrC and HfC from first principles
40. Structural phase stability and elastic properties of refractory carbides10.1016/j.ijrmhm.2012.04.017 ↗
41. Low‐temperature elastic properties of ZrC and TiC10.1063/1.1707923 ↗
42. The U-Zr-C ternary phase diagram above 2473 K10.1111/j.1151-2916.1993.tb03919.x ↗
43. Thermal expansion and atomic vibration amplitudes for TiC, TiN, ZrC, ZrN, and pure tungsten10.1016/0022-3697(64)90001-0 ↗
44. Molecular-dynamics simulation of thermal conductivity in amorphous silicon10.1103/PhysRevB.43.6573 ↗
45. Ab initio investigations of the phase stability in group IVB and VB transition metal carbides10.1016/j.commatsci.2015.10.038 ↗
46. Self-assembly of carbon vacancy in sub-stoichiometric ZrC1-x
47. Synthesis and densification of monolithic zirconium carbide by reactive hot pressing10.1111/j.1551-2916.2010.03608.x ↗
48. Composition dependence of lattice parameter, thermal and electrical properties in ZrCx compounds10.2320/matertrans.M2016283 ↗
49. Change in the lattice constant of zirconium carbide in the region of homogeneity
50. Experimental investigation and thermodynamic evaluation of the C-O-Zr ternary system10.1039/C6RA21967E ↗
51. High-temperature oxidation of zirconium and hafnium oxycarbides, and oxycarbonitrides10.1007/BF00800982 ↗
52. Synthesis and hot-pressing of single-phase ZrCxOy and two-phase ZrCxOy-ZrO2 materials10.1016/0267-3762(86)90022-6 ↗
53. Laser melting of zirconium carbide: determination of phase transitions in refractory ceramic systems10.1111/j.1551-2916.2011.04560.x ↗
54. Enthalpy of formation of zirconium carbide10.1021/je60041a034 ↗
55. Universal elastic anisotropy index10.1103/PhysRevLett.101.055504 ↗
56. Chung · 1968 · vol. 2 · 217
57. Relation between the properties of monocarbides of groups IV-V transition metals and their carbon content10.1007/BF00797927 ↗
58. Variation of hardness, resistivity and lattice parameter with carbon content of group 5b metal carbides