Ti2N twin formation ability affected by alloying element in the TC6 titanium alloy: MD simulation
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: Metal and Thin Film Mechanics · Titanium Alloys Microstructure and Properties · Intermetallics and Advanced Alloy Properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (67)
Show source-provided references
1. J. Gopal, V. Nandakumar, M. Doble, A novel microwave recipe for an antibiofilm titanium surface. Materials Science and Engineering: C 56, 215–222 (2015)
2. J. Li, B. Wang, S. Fang, P. Chen, Investigation of the microstructure evolution and mechanical properties of a TC6 alloy blade preform produced by cross wedge rolling. Arch. Civ. Mech. Eng. 20, 70 (2020)
3. W. Yu, M.Q. Li, J. Luo, Effect of deformation parameters on the precipitation mechanism of secondary α phase under high temperature isothermal compression of Ti-6Al-4V alloy. Materials Science and Engineering: A 527, 4210–4217 (2010)10.1016/j.msea.2010.03.024 ↗
4. L.C. Zhang, L.Y. Chen, S. Zhou, Z. Luo, Powder bed fusion manufacturing of beta-type titanium alloys for biomedical implant applications: a review. J. Alloy. Compd. 936, 21 (2023)
5. L. Liu, H.H. Shen, X.Z. Liu, Q. Guo, T.X. Meng, Z.X. Wang, H.J. Yang, X.P. Liu, Wear resistance of TiN(Ti2N)/Ti composite layer formed on C17200 alloy by plasma surface Ti-alloying and nitriding. Appl. Surf. Sci. 388, 103–108 (2016)10.1016/j.apsusc.2016.03.059 ↗
6. W. Sun, Z. Zhao, J. Wang, C. Si, The effects of plasma nitriding on the microstructure, friction wear, and electrochemical properties of TC6 titanium alloy. J. Mater. Sci. 60, 3974–3987 (2025)10.1007/s10853-025-10694-z ↗
7. C. Yang, X. Yang, L. Liang, Formation mechanism and mechanical properties of intermittent vacuum diffusion nitriding layer on the Ti6Al4V titanium alloy. Surf. Coat. Technol. 512, 132395 (2025)
8. F. Yang, K.M. Li, X.J. Liu, H. Sun, C.P. Wang, Microstructure and properties of gradient nitrided layer on Ti6Al4V alloys. Rare Met. 42, 651–663 (2022)10.1007/s12598-022-02122-x ↗
9. S. Yang, T. Guo, X. Yan, K. Gao, X. Pang, High-density twin boundaries in transition metal nitride coating with boron doping. Acta Mater. 255, 119033 (2023)
10. X. Zheng, G. Liu, S. Zheng, Y. Ma, R. Yang, J. Wang, X. Ma, $${{10}\stackrel{{-}}{{1}}{2}}$$ twinning induced by the interaction between $${{11}\stackrel{{-}}{{2}}{1}}$$ twin and β phase in α + β Ti alloys. Acta Mater. 231, 117900 (2022)10.1016/j.actamat.2022.117900 ↗
11. K. Farokhzadeh, J. Qian, A. Edrisy, Effect of SPD surface layer on plasma nitriding of Ti–6Al–4V alloy. Materials Science and Engineering: A 589, 199–208 (2014)10.1016/j.msea.2013.09.077 ↗
12. H. Zhang, B. Wei, X. Ou, S. Ni, X. Liao, M. Song, Enhancing $${{10}\stackrel{{-}}{{1}}{2}}$$ twin boundary migration capability in Ti-Al solid solution alloys with increasing Al content. J. Mater. Sci. Technol. 147, 217–223 (2023)10.1016/j.jmst.2022.10.080 ↗
13. X. Liu, Y. Wu, Y. Wang, J. Chen, R. Bai, L. Gao, Z. Xu, W.Y. Wang, C. Tan, X. Hui, Enhanced dynamic deformability and strengthening effect via twinning and microbanding in high density NiCoFeCrMoW high-entropy alloys. J. Mater. Sci. Technol. 127, 164–176 (2022)10.1016/j.jmst.2022.02.055 ↗
14. A. Fitzner, D.G.L. Prakash, JQda Fonseca, M. Thomas, S.Y. Zhang, J. Kelleher, P. Manuel, M. Preuss, The effect of aluminium on twinning in binary alpha-titanium. Acta Mater. 103, 341–351 (2016)10.1016/j.actamat.2015.09.048 ↗
15. M.Z. Cao, B.B. He, A review on deformation mechanisms of metastable β titanium alloys. J. Mater. Sci. 59, 14981–15016 (2024)10.1007/s10853-024-10063-2 ↗
16. A. Carman, L.C. Zhang, O.M. Ivasishin, D.G. Savvakin, M.V. Matviychuk, E.V. Pereloma, Role of alloying elements in microstructure evolution and alloying elements behaviour during sintering of a near-β titanium alloy. Materials Science and Engineering: A 528, 1686–1693 (2011)10.1016/j.msea.2010.11.004 ↗
17. S. Huang, J. Zhang, Y. Ma, S. Zhang, S.S. Youssef, M. Qi, H. Wang, J. Qiu, D. Xu, J. Lei, R. Yang, Influence of thermal treatment on element partitioning in α + β titanium alloy. J. Alloys Compd. 791, 575–585 (2019)10.1016/j.jallcom.2019.03.332 ↗
18. P. Cao, F. Tian, Y. Wang, Effect of mo on the phase stability and elastic mechanical properties of Ti-Mo random alloys from Ab initio calculations. J. Phys. Condens. Matter 29, 435703 (2017)
19. M.G. de Mello, C.F. Salvador, A. Cremasco, R. Caram, The effect of Sn addition on phase stability and phase evolution during aging heat treatment in Ti-Mo alloys employed as biomaterials. Mater. Charact. 110, 5–13 (2015)10.1016/j.matchar.2015.10.005 ↗
20. W. Zhou, R. Sahara, K. Tsuchiya, First-principles study of the phase stability and elastic properties of Ti-X alloys (X = Mo, Nb, Al, Sn, Zr, Fe, Co, and O). J. Alloys Compd. 727, 579–595 (2017)10.1016/j.jallcom.2017.08.128 ↗
21. Y.K. Kim, H.K. Kim, W.S. Jung, B.J. Lee, Development and application of Ni-Ti and Ni-Al-Ti 2NN-MEAM interatomic potentials for Ni-base superalloys. Comput. Mater. Sci. 139, 225–233 (2017)10.1016/j.commatsci.2017.08.002 ↗
22. Y. Ren, X. Liu, Strain and cohesive energy of TiN deposit on Al(001) surface: density functional calculation. Int. J. Nanosci. 15, 1650017 (2016)
23. J. Zhang, Y. Pan, Q. Zhou, J. Sun, Y. Liu, F. Kuang, C. Lei, X. Lu, A first-principles study of interstitial oxygen on the strength/ductility of α-Ti: crystal structures, elastic properties and electronic structures. Mater. Today Commun. 37, 106952 (2023)
24. T. Novoselova, S. Malinov, W. Sha, A. Zhecheva, High-temperature synchrotron X-ray diffraction study of phases in a gamma tial alloy. Materials Science and Engineering: A 371, 103–112 (2004)10.1016/j.msea.2003.12.015 ↗
25. Y. Hao, J. Zhu, L. Zhang, J. Qu, H. Ren, First-principles study of high pressure structure phase transition and elastic properties of titanium. Solid State Sci. 12, 1473–1479 (2010)10.1016/j.solidstatesciences.2010.06.010 ↗
26. A. Cezairliyan, A.P. Miiller, Melting point, normal spectral emittance (at the melting point), and electrical resistivity (above 1900 K) of titanium by a pulse heating method. J. Res. Natl. Inst. Stand. Technol. 82, 119 (1977).10.6028/jres.082.010 ↗
27. C. Lin, G. Yin, Y. Zhao, J. Wang, Analysis of the effect of alloy elements on allotropic transformation in titanium alloys with the use of cohesive energy. Comput. Mater. Sci. 111, 41–46 (2016)10.1016/j.commatsci.2015.08.060 ↗
28. Z. Wu, H. Bei, G.M. Pharr, E.P. George, Temperature dependence of the mechanical properties of equiatomic solid solution alloys with face-centered cubic crystal structures. Acta Mater. 81, 428–441 (2014)10.1016/j.actamat.2014.08.026 ↗
29. E. Mohammadpour, M. Altarawneh, J.A. Nuairat, Z.T. Jiang, N. Mondinos, B.Z. Dlugogorski, Thermo-mechanical properties of cubic titanium nitride. Mol. Simul. 44, 415–423 (2017)10.1080/08927022.2017.1393810 ↗
30. H. Yu, F. Sun, A modified embedded atom method interatomic potential for the Ti–N system. Phys. B 404, 1692–1694 (2009)10.1016/j.physb.2009.02.004 ↗
31. W. Wolf, R. Podloucky, T. Antretter, F.D. Fischer, First-principles study of elastic and thermal properties of refractory carbides and nitrides. Philos. Mag. 79, 839–858 (1999)10.1080/13642819908214844 ↗
32. B.O. Holmberg, R. Dahlbom, M. Yhland, Structural studies on the Titanium-Nitrogen system. Acta Chem. Scand. 16, 13 (1962)
33. Y.L. Su, T.H. Liu, Tribological properties of Ti2N-Wx% coatings deposited by magnetron sputtering. Vacuum 77, 343–354 (2005)10.1016/j.vacuum.2004.12.004 ↗
34. A. Zhecheva, W. Sha, S. Malinov, A. Long, Enhancing the microstructure and properties of titanium alloys through nitriding and other surface engineering methods. Surf. Coat. Technol. 200, 2192–2207 (2005)10.1016/j.surfcoat.2004.07.115 ↗
35. J. Li, B. Wang, H. Huang, S. Fang, P. Chen, J. Shen, Unified modelling of the flow behaviour and softening mechanism of a TC6 titanium alloy during hot deformation. J. Alloys Compd. 748, 1031–1043 (2018)10.1016/j.jallcom.2018.03.120 ↗
36. H. Lee, H. Kang, J. Kim, H.K. Shin, J. Lee, S.H. Huh, J. Sung, H.J. Lee, Inward diffusion of Al and Ti3Al compound formation in the Ti–6Al–4V alloy during high temperature gas nitriding. Surf. Coat. Technol. 240, 221–225 (2014)10.1016/j.surfcoat.2013.12.027 ↗
37. H. Weng, Q. Wang, Y. Ma, D.K. Xu, S.S. Huang, M. Qi, J.K. Qiu, J.F. Lei, R. Yang, Effect of al content on the fracture toughness and deformation behavior of Ti-Al binary alloys. Materials Science and Engineering: A 911, 146914 (2024)
38. S. Xu, Y. Cao, B. Duan, Enhanced strength and sliding wear properties of gas nitrided Ti-6Al-4V alloy by ultrasonic shot peening pretreatment. Surf. Coat. Technol. 458, 129325 (2023)
39. Z. Zhang, Z. Yang, S. Lu, A. Harte, R. Morana, M. Preuss, Strain localisation and failure at twin-boundary complexions in nickel-based superalloys. Nat. Commun. 11, 4890 (2020)
40. L.H. Ye, H. Wang, G. Zhou, Q.M. Hu, R. Yang, Phase stability of TiAl-X (X = V, Nb, Ta, Cr, Mo, W, and Mn) alloys. J. Alloys Compd. 819, 153291 (2020)
41. B. He, J. Li, X. Cheng, H.M. Wang, Brittle fracture behavior of a laser additive manufactured near-β titanium alloy after low temperature aging. Materials Science and Engineering: A 699, 229–238 (2017)10.1016/j.msea.2017.05.050 ↗
42. Y. Jiang, Y.H. He, N.P. Xu, J. Zou, B.Y. Huang, C.T. Liu, Effects of the al content on pore structures of porous Ti-Al alloys. Intermetallics 16, 327–332 (2008)10.1016/j.intermet.2007.11.002 ↗
43. Y. Lu, J. Yamada, J. Nakamura, K. Yoshimi, H. Kato, Effect of B2-ordered phase on the deformation behavior of Ti-Mo-Al alloys at elevated temperature. J. Alloys Compd. 696, 130–135 (2017)10.1016/j.jallcom.2016.11.211 ↗
44. S. Komiyama, Y. Sutou, J. Koike, Effect of heat treatment on the hardness of Ti-Mo-N films deposited by RF reactive magnetron sputtering. Mater. Trans. 51, 1467–1473 (2010)10.2320/matertrans.M2010119 ↗
45. G.K. Nayak, D. Holec, M. Zelený, Impact of d-states on transition metal impurity diffusion in TiN. Sci. Rep. 13, 8244 (2023)10.1038/s41598-023-34768-7 ↗
46. S. Zhou, W. Zhao, Z. Qiu, S. Lin, Z. Zheng, D.C. Zeng, Improved load-bearing capacity of Mo-doped Ti-N coatings: effects of Mo alloying and GB plasticity. Surf. Coat. Technol. 424, 127630 (2021)10.1016/j.surfcoat.2021.127630 ↗
47. J.H. Xu, W. Lin, A.J. Freeman, Twin-boundary and stacking-fault energies in Al and Pd. Phys. Rev. B. 43, 2018 (1991)10.1103/PhysRevB.43.2018 ↗
48. P. Kwasniak, M. Muzyk, H. Garbacz, K.J. Kurzydlowski, Influence of C, H, N, and O interstitial atoms on deformation mechanism in titanium-first principles calculations of generalized stacking fault energy. Mater. Lett. 94, 92–94 (2013)10.1016/j.matlet.2012.12.002 ↗
49. R. Devi Janani, S.A. Salman, K. Pavithra Priyadharshini, V. Karthik, Effect of composition on the stacking fault energy of copper-nickel alloys using molecular dynamics simulations. Mater. Today 39, 1796–1800 (2021)
50. J. Varalakshmi, S.K. Yadav, Thermodynamics and kinetics of Ti2N formation by N atom intercalation in ti: a density functional theory study. Phys. B Condens. Matter 699, 416829 (2025)10.1016/j.physb.2024.416829 ↗
51. C. Wang, H. Wang, T. Huang, X. Xue, F. Qiu, Q. Jiang, Generalized-stacking-fault energy and twin-boundary energy of hexagonal close-packed au: a first-principles calculation. Sci. Rep. 5, 10213 (2015)
52. M. Benoit, N. Tarrat, J. Morillo, Density functional theory investigations of titanium γ-surfaces and stacking faults. Model. Simul. Mater. Sci. Eng. 21, 015009 (2012)
53. B. Zhao, P. Huang, L. Zhang, Temperature effect on stacking fault energy and deformation mechanisms in titanium and titanium-aluminium alloy. Sci. Rep. 10, 3086 (2020)
54. F.D. Barbieri, D.J. Badiola, R. Allende, Effect of cr content in temperature-dependent mechanical properties and strain hardening of a twinning-induced plasticity steel. Mater. Sci. Eng. A 889, 145865 (2024)10.1016/j.msea.2023.145865 ↗
55. X. Hu, L. Qi, C. Liu et al., Formation mechanism of stacking faults within α′′ martensite in Ti-7 wt% mo alloy. J. Alloys Compd. 934, 168039 (2023)
56. S. Kibey, J.B. Liu, D.D. Johnson, H. Sehitoglu, Predicting twinning stress in Fcc metals: linking twin-energy pathways to twin nucleation. Acta Mater. 55, 6843–6851 (2007)10.1016/j.actamat.2007.08.042 ↗
57. Z. Wang, W. Lu, F. An et al., High stress twinning in a compositionally complex steel of very high stacking fault energy. Nat. Commun. 13, 3598 (2022)
58. A.I. Dmitriev, A.Y. Nikonov, A.R. Shugurov et al., Molecular dynamics study of dislocation-twin boundary interaction in titanium subjected to scratching. Materials Science and Engineering: A 800, 140327 (2021)
59. D.L. Olmsted, L.G. Jr Hector, W.A. Curtin, Molecular dynamics study of solute strengthening in al/mg alloys. J. Mech. Phys. Solids. 54, 1763–1788 (2006)10.1016/j.jmps.2005.12.008 ↗
60. R.E. Kubilay, A. Ghafarollahi, F. Maresca et al., High energy barriers for edge dislocation motion in body-centered cubic high entropy alloys. NPJ Comput. Mater. 7, 112 (2021)
61. S. Wang, Y. Kong, L. Chen et al., Effect of al content on the structural stability of Σ3(111) twin boundary in Ti1-xAlxN hard coatings: a first-principles study. Surf. Coat. Technol. 439, 128454 (2022)
62. S. Jiang, Z. Jiang, Q. Chen, Deformation twinning mechanism in hexagonal-close-packed crystals. Sci. Rep. 9, 618 (2019)
63. Q. Zhu, L. Lu, H. Huang, Q. Chen, Y. Bin, Revealing extreme twin-boundary shear deformability in metallic nanocrystals. Sci. Adv. 7, 4758 (2021)10.1126/sciadv.abe4758 ↗
64. Z. Sun, Y. Zhang, Z. Li, Z. Xie, Y. Dai, X. Du, C. Ophus, J. Zhou, Strain release by 3D atomic misfit in fivefold twinned icosahedral nanoparticles with amorphization and dislocations. Nat. Commun. 16, 1595 (2025)
65. Y. Ma, Y. Chen, T. Guo, H.H. Wu, R. Wang, Y. He, L. Wang, L. Qiao, Unraveling the atomic shuffles of twinning nucleation in hexagonal Close-Packed rhenium nanocrystals. Nano Lett. 23, 8498–8504 (2023)10.1021/acs.nanolett.3c02100 ↗
66. L.X. Yang, J.G. Jia, A first-principles study on electronic structures and elastic properties of metal doped α-Fe (N)high nitrogen steel. J. Iron Steel Res. Int. 24, 103–110 (2017)10.1016/S1006-706X(17)30015-8 ↗
67. C. He, Z. Li, H. Chen, N. Wilson, J.F. Nie, Unusual solute segregation phenomenon in coherent twin boundaries. Nat. Commun. 12, 722 (2021)