[1] M. Niinomi, M. Nakai, J. Hieda, Development of new metallic alloys for biomedical applications, Acta Biomater. 8 (2012) 3888–3903,
doi:10.1016/j.actbio.2012.06.037.
[2] L.Y. Chen, Y.W. Cui, L.C. Zhang, Recent development in beta titanium alloys for
biomedical applications, Metals 10 (2020) 1139, doi:10.3390/met10091139.
[3] S.S. Sidhu, H. Singh, M.A.H. Gepreel, A review on alloy design, biological response,
and strengthening of 𝛽-titanium alloys as biomaterials, Mater. Sci. Eng. C 121 (2021)
111661, doi:10.1016/j.msec.2020.111661.
[4] T. Nakano, K. Hagihara, Additive manufacturing of medical devices, in:
ASM Handbook, Vol. 23A–Additive Manufacturing in Biomedical Applications, ASM International, Materials Park, OH, 2022, pp. 416–433,
doi:10.31399/asm.hb.v23A.a0006905.
[5] P.R. Boyer, G. Welsh, E.W. Collings, Materials Properties Handbook: Titanium Alloys, ASM International, Materials Park, OH, 1994.
[6] S.H. Lee, M. Todai, M. Tane, K. Hagihara, H. Nakajima, T. Nakano, Biocompatible
low Young’s modulus achieved by strong crystallographic elastic anisotropy in Ti–
15Mo–5Zr–3Al alloy single crystal, J. Mech. Behav. Biomed. Mater. 14 (2012) 48–54,
doi:10.1016/j.jmbbm.2012.05.005.
[7] M. Tane, K. Hagihara, M. Ueda, T. Nakano, Y. Okuda, Elastic-modulus enhancement
during room-temperature aging and its suppression in metastable Ti–Nb-based alloys with low body-centered cubic phase stability, Acta Mater. 102 (2016) 373–384,
doi:10.1016/j.actamat.2015.09.030.
[8] K. Hagihara, T. Nakano, Control of anisotropic crystallographic texture in powder bed fusion additive manufacturing of metals and ceramics—A review, JOM 74
(2022) 1760–1773, doi:10.1007/s11837-021-04966-7.
[9] T. Ishimoto, K. Hagihara, K. Hisamoto, S-H. Sun, T. Nakano, Crystallographic texture
control of beta-type Ti–15Mo–5Zr–3Al alloy by selective laser melting for the devel-
Fig. 11. Energy profiles for migration of the Ti atom to a neighboring vacancy
exhibiting the vacancy formation energy close to the average value of 1.01 eV
in Ti-15Mo-5Zr-3Al.
Declaration of Competing Interest
The authors declare that they have no known competing financial
interests or personal relationships that could have appeared to influence
the work reported in this paper.
CRediT authorship contribution statement
Masataka Mizuno: Conceptualization, Methodology, Investigation,
Writing – original draft, Writing – review & editing. Kazuki Sugita:
Investigation, Writing – review & editing. Kousuke Do: Investigation, Data curation, Visualization. Takuya Ishimoto: Methodology,
Validation, Investigation, Data curation, Writing – review & editing.
M. Mizuno, K. Sugita, K. Do et al.
[10]
[11]
[12]
[13]
[14]
[15]
[16]
[17]
[18]
[19]
[20]
[21]
[22]
[23]
[24]
[25]
[26]
[27]
[28]
[29]
Additive Manufacturing Letters 7 (2023) 100162
opment of novel implants with a biocompatible low Young’s modulus, Scr. Mater.
132 (2017) 34–38, doi:10.1016/j.scriptamat.2016.12.038.
T. Ishimoto, K. Hagihara, K. Hisamoto, T. Nakano, Stability of crystallographic
texture in laser powder bed fusion: Understanding the competition of crystal growth using a single crystalline seed, Addit. Manuf. 43 (2021) 102004,
doi:10.1016/j.addma.2021.102004.
S.H. Sun, K. Hagihara, T. Ishimoto, R. Suganuma, Y.F. Xue, T. Nakano, Comparison
of microstructure, crystallographic texture, and mechanical properties in Ti–15Mo–
5Zr–3Al alloys fabricated via electron and laser beam powder bed fusion technologies, Addit. Manuf. 47 (2021) 102329, doi:10.1016/j.addma.2021.102329.
D. Herzog, V. Seyda, E. Wycisk, C. Emmelmann, Additive manufacturing of metals,
Acta Mater. 117 (2016) 371–392, doi:10.1016/j.actamat.2016.07.019.
Q. Jia, P. Rometsch, P. Kürnsteiner, Q. Chao, A. Huang, M. Weyland, L. Bourgeois, X. Wu, Selective laser melting of a high strength: Al–Mn–Sc alloy: alloy design and strengthening mechanisms, Acta Mater. 171 (2019) 108–118,
doi:10.1016/j.actamat.2019.04.014.
D. Gu, Q. Shi, K. Lin, L. Xi, Microstructure and performance evolution and underlying
thermal mechanisms of Ni-based parts fabricated by selective laser melting, Addit.
Manuf. 22 (2018) 265–278, doi:10.1016/j.addma.2018.05.019.
C. Herzig, U. Kohler, Anomalous self-diffusion in BCC IVB metals and alloys, Mater.
Sci. Forum 15-18 (1987) 301–322, doi:10.4028/www.scientific.net/MSF.15-18.301.
G. Vogl, W. Petry, Th. Flottmann, A. Heiming, Direct determination of the selfdiffusion mechanism in BCC 𝛽-titanium, Phys. Rev. B 39 (1989) 5025–5034,
doi:10.1103/physrevb.39.5025.
R. Sahara, S. Emura, S. Ii, S. Ueda, K. Tsuchiya, First-principles study of electronic structures and stability of body-centered cubic Ti–Mo alloys by special quasirandom structures, Sci. Technol. Adv. Mater. 15 (2014) 035014,
doi:10.1088/1468-6996/15/3/035014.
S. Barzilai, C. Toher, S. Curtarolo, O. Levy, Molybdenum-titanium phase diagram evaluated from ab initio calculations, Phys. Rev. Mater. 1 (2017) 023604,
doi:10.1103/PhysRevMaterials.1.023604.
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 (2017) 435703, doi:10.1088/1361-648X/aa87d3.
J.L. Zhu, S. Cao, Y. Wang, R. Yang, Q.Mi. Hu, First-principles investigations of 𝜔
variant selection during a thermal 𝛽 → 𝜔 transformation of binary Ti-xMo alloy,
Comput. Mater. Sci. 155 (2018) 524–533, doi:10.1016/j.commatsci.2018.09.028.
F. Jiang, C. Pang, Z. Zheng, Q. Wang, J. Zhao, C. Dong, First‑principles calculations
for stable 𝛽‑Ti–Mo alloys using cluster‑plus‑glue‑atom model, Acta Metall. Sin. 33
(2020) 968–974 (Engl. Lett.), doi:10.1007/s40195-020-01006-2.
M. Li, X. Min, Origin of 𝜔-phase formation in metastable 𝛽-type Ti-Mo
alloys: cluster structure and stacking fault, Sci. Rep. 10 (2020) 8664,
doi:10.1038/s41598-020-65254-z.
Q.M. Hu, R. Yang, Unconventional non-uniform local lattice distortion in dilute Ti-Mo solid solution, Acta Mater. 197 (2020) 91–96,
doi:10.1016/j.actamat.2020.07.033.
R. Salloom1, S.A. Mantri, R. Banerjee, S.G. Srinivasan, First principles computation of composition dependent elastic constants of omega in titanium
alloys: implications on mechanical behavior, Sci. Rep. 11 (2021) 12005,
doi:10.1038/s41598-021-91594-5.
Q.J. Chen, S.Y. Ma, S.Q. Wang, The assisting and stabilizing role played by 𝜔 phase
during the {112} <111>𝛽 twinning in Ti-Mo alloys: a first-principles insight, J.
Mater. Sci. Technol. 80 (2021) 163–170, doi:10.1016/j.jmst.2020.11.056.
L. Bellaiche, D. Vanderbilt, Virtual crystal approximation revisited: application to
dielectric and piezoelectric properties of perovskites, Phys. Rev. B 61 (2000) 7877–
7882, doi:10.1103/PhysRevB.61.7877.
N.J. Rammer, A.M. Rappe, Virtual-crystal approximation that works: Locating a
compositional phase boundary in Pb(Zr1−x Tix )O3 , Phys. Rev. B 62 (2000) R743–
R746, doi:10.1103/PhysRevB.62.R743.
P. Soven, Coherent-potential model of substitutional disordered alloys, Phys. Rev.
156 (1967) 809–813, doi:10.1103/PhysRev.156.809.
B.L. Gyorffy, Coherent-potential approximation for a nonoverlapping-muffin-tinpotential model of random substitutional alloys, Phys. Rev. B 5 (1972) 2382–2384,
doi:10.1103/PhysRevB.5.2382.
[30] S. Kadkhodaei, A. Davariashtiyan, Phonon-assisted diffusion in bcc phase of titanium and zirconium from first principles, Phys. Rev. Mater. 4 (2020) 043802,
doi:10.1103/PhysRevMaterials.4.043802.
[31] A. Zunger, S.H. Wei, L.G. Ferreira, J.E. Bernard, Special quasirandom structures,
Phys. Rev. Lett. 65 (1990) 353–356, doi:10.1103/PhysRevLett.65.353.
[32] P. Kirkegaard, M. Eldrup, O.E. Mogensen, N.J. Pedersen, Program system for
analysing positron lifetime spectra and angular correlation curves, Comput. Phys.
Commun. 23 (1981) 307–335, doi:10.1016/0010-4655(81)90006-0.
[33] P. Kirkegaard, M. Eldrup, Positronfit extended: a new version of a program for
analysing position lifetime spectra, Comput. Phys. Commun. 7 (1974) 401–409,
doi:10.1016/0010-4655(74)90070-8.
[34] X. Gonze, B. Amadon, P.M. Anglade, J.M. Beuken, F. Bottin, P. Boulanger,
F. Bruneval, D. Caliste, R. Caracas, M. Côté, T. Deutsch, L. Genovese, Ph. Ghosez,
M. Giantomassi, S. Goedecker, D.R. Hamann, P. Hermet, F. Jollet, G. Jomard, S. Leroux, M. Mancini, S. Mazevet, M.J.T. Oliveira, G. Onida, Y. Pouillon, T. Rangel, G.M. Rignanese, D. Sangalli, R. Shaltaf, M. Torrent, M.J. Verstraete, G. Zerah, J.W. Zwanziger, ABINIT: First-principles approach to material and nanosystem properties, Comput. Phys. Commun. 180 (2009) 2582–2615,
doi:10.1016/j.cpc.2009.07.007.
[35] E. Boroński, R.M. Nieminen, Electron-positron density-functional theory, Phys. Rev.
B 34 (1986) 3820–3831, doi:10.1103/PhysRevB.34.3820.
[36] G. Kresse, J. Hafner, Ab initio molecular dynamics for liquid metals, Phys. Rev. B
47 (1993) 558–561, doi:10.1103/PhysRevB.47.558.
[37] G. Kresse, J. Furthmüller, Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set, Phys. Rev. B 54 (1996) 11169–11186,
doi:10.1103/PhysRevB.54.11169.
[38] J.P. Perdew, K. Burke, M. Ernzerhof, Generalized gradient approximation made simple, Phys. Rev. Lett. 77 (1996) 3865–3868, doi:10.1103/PhysRevLett.77.3865.
[39] P.E. Blöchl, Projector augmented-wave method, Phys. Rev. B 50 (1994) 17953–
17979, doi:10.1103/PhysRevB.50.17953.
[40] G. Kresse, D. Joubert, From ultrasoft pseudopotentials to the projector augmentedwave method, Phys. Rev. B 59 (1999) 1758–1775, doi:10.1103/PhysRevB.59.1758.
[41] J. Cowley, An approximate theory of order in alloys, Phys. Rev. 77 (1950) 669–675,
doi:10.1103/PhysRev.77.669.
[42] M.J. Puska, T. Korhonen, R.M. Nieminen, A.P. Seitsonen, Two-component densityfunctional calculations for positrons trapped by defects in solids, Appl. Surf. Sci. 116
(1997) 293 -229, doi:10.1016/S0169-4332(96)01072-0.
[43] A. Takase, T. Ishimoto, R. Suganuma, T. Nakano, Lattice distortion in selective laser melting (SLM)-manufactured unstable 𝛽-type Ti-15Mo-5Zr-3Al alloy analyzed by high-precision X-ray diffractometry, Scr. Mater. 201 (2021) 113953,
doi:10.1016/j.scriptamat.2021.113953.
[44] M. Mizuno, K. Sugita, H. Araki, Defect energetics for diffusion in CrMnFeCoNi highentropy alloy from first-principles calculations, Comput. Mater. Sci. 170 (2019)
109163, doi:10.1016/j.commatsci.2019.109163.
[45] H. Jónsson, G. Mills, K.W. Jacobsen, B.J. Berne, G. Ciccotti, D.F. Coker, in: Classical and Quantum Dynamics in Condensed Phase Simulations–Nudged Elastic Band
Method for Finding Minimum Energy Paths of Transitions, World Scientific, Singapore, 1998, pp. 385–404, doi:10.1142/9789812839664_0016.
[46] G. Mills, H. Jonsson, G.K. Schenter, Reversible work transition state theory: application to dissociative adsorption of hydrogen, Surf. Sci. 324 (1995) 305–337,
doi:10.1016/0039-6028(94)00731-4.
[47] T.S. Byun, B.E. Garrison, M.R. McAlister, X. Chen, M.N. Gussev, T.G. Lach,
A.Le Coq, K. Linton, C.B. Joslin, J.K. Carver, F.A. List, R.R. Dehoff, K.A. Terrani, Mechanical behavior of additively manufactured and wrought 316L stainless
steels before and after neutron irradiation, J. Nucl. Mater. 548 (2021) 152849,
doi:10.1016/j.jnucmat.2021.152849.
[48] X. Hu, T.G. Lach, K.A. Terrani, Deuterium permeation and retention in 316L stainless
steel manufactured by laser powder bed fusion, J. Nucl. Mater. 548 (2021) 152871,
doi:10.1016/j.jnucmat.2021.152871.
...
論文の公開元へ
