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Journal of Materials Science

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03.09.2019 | Computation & theory

The annihilation kinetics of the nanoscale antiphase domain boundary in B2 alloys: phase field characterization at the atomistic level

verfasst von: Kun Wang, Shi Hu, Yongxin Wang

Erschienen in: Journal of Materials Science | Ausgabe 23/2019

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Abstract

The microstructure evolution and coarsening kinetics of ordered domain depend on the annihilation behavior in ordered metallic materials. In this work, the annihilation phenomenon of nanoscale B2 antiphase domain boundary (APDB), at various compositions and temperatures, is investigated by establishing an atomic phase field approach. The effect of uniaxial compressive stress is also included. Kinetically, the annihilation behavior of nanoscale APDB presents a staged feature during the dynamic evolution process. Qualitatively, the analyses of area and radius reveal that APDB annihilation evolves along a fixed path. Further, the annihilation rate of APDB is characterized by composition and temperature dependence, which is a result of synergy among the temperature, composition and uniaxial compressive stress. Thermodynamically, the energy analyses reveal that solute depletion at the homophase interface acts energetically for the migration of B2-APDB. The uniaxial compressive stress significantly influences the micromorphology, solute depletion and evolution of APDB, which provides theoretical insight for controlling the nanoscale APDB. Moreover, simulation results show reasonable agreement with previous theoretical results.

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Liu L, Wu X, Wang R, Li W, Liu Q (2015) First principle study on the temperature dependent elastic constants, anisotropy, generalized stacking fault energy and dislocation core of NiAl and FeAl. Comput Mater Sci 103:116–125. https://doi.org/10.1016/j.commatsci.2015.03.024 CrossRef

Li D, Zhou L, Xi Y, Liu L, Liu Z, Si J, Zhu K (2017) Phase transformation behavior of alumina grown on FeAl alloys with reactive element dopants at 1273 K. J Alloys Compd 692:427–433. https://doi.org/10.1016/j.jallcom.2016.09.092 CrossRef

Kant R, Prakash U, Agarwala V, Satya Prasad VV (2015) Wear behaviour of an FeAl intermetallic alloy containing carbon and titanium. Intermetallics 61:21–26. https://doi.org/10.1016/j.intermet.2015.02.013 CrossRef

Mondal D, Banik S, Kamal C, Nand M, Jha SN, Phase DM, Sinha AK, Chakrabarti A et al (2016) Electronic structure of FeAl alloy studied by resonant photoemission spectroscopy and Ab initio calculations. J Alloys Compd 688:187–194. https://doi.org/10.1016/j.jallcom.2016.07.121 CrossRef

Zheng Y, Wang F, Ai T, Li C (2017) Structural, elastic and electronic properties of B2-type modified by ternary additions FeAl-based intermetallics: first-principles study. J Alloys Compd 710:581–588. https://doi.org/10.1016/j.jallcom.2017.03.308 CrossRef

Viguier B, Martinez M, Lacaze J (2017) Characterization of complex planar faults in FeAl(B) alloys. Intermetallics 83:64–69. https://doi.org/10.1016/j.intermet.2016.12.005 CrossRef

Starostenkov M, Chaplygin P, Chaplygina A, Potekaev A (2017) Investigation of growth ordered phases in the alloy NiAl equiatomic composition during stepwise cooling. Procedia IUTAM 23:78–83. https://doi.org/10.1016/j.piutam.2017.06.007 CrossRef

Rong TS (2003) Serrated yielding in the B2-ordered Nb–15Al–20V alloy. Intermetallics 11(2):151–155. https://doi.org/10.1016/S0966-9795(02)00196-6 CrossRef

Gilles R, Hofmann M, Johnson F, Gao Y, Mukherji D, Hugenschmidt C, Pikart P (2011) Analysis of antiphase domain growth in ternary FeCo alloys after different cooling rates and annealing treatments using neutron diffraction and positron annihilation. J Alloys Compd 509(2):195–199. https://doi.org/10.1016/j.jallcom.2010.09.075 CrossRef

10.

Zhang Y, Wang X, Kong F, Chen Y (2018) A high-performance β-stabilized Ti–43Al–9V–0.2Y alloy sheet with a nano-scaled antiphase domain. Mater Lett 214:182–185. https://doi.org/10.1016/j.matlet.2017.12.002 CrossRef

11.

Tanimura M, Koyama Y (2006) The role of antiphase boundaries in the kinetic process of the L1₂ → D0₂₂ structural change of an Ni₃Al_0.45V_0.50 alloy. Acta Mater 54(16):4385–4391. https://doi.org/10.1016/j.actamat.2006.05.031 CrossRef

12.

Lefebvre W, Masquelier N, Houard J, Patte R, Zapolsky H (2014) Tracking the path of dislocations across ordered Al₃Zr nano-precipitates in three dimensions. Scr Mater 70:43–46. https://doi.org/10.1016/j.scriptamat.2013.09.014 CrossRef

13.

Yasuda HY, Nakajima T, Umakoshi Y (2007) Temperature dependence of pseudoelasticity in Fe3Al single crystals. Intermetallics 15(5–6):819–823. https://doi.org/10.1016/j.intermet.2006.10.006 CrossRef

14.

Cugini F, Righi L, van Eijck L, Brück E, Solzi M (2018) Cold working consequence on the magnetocaloric effect of Ni₅₀Mn₃₄ in 16 Heusler alloy. J Alloys Compd 749:211–216. https://doi.org/10.1016/j.jallcom.2018.03.293 CrossRef

15.

Mangler C, Gammer C, Karnthaler HP, Rentenberger C (2010) Structural modifications during heating of bulk nanocrystalline FeAl produced by high-pressure torsion. Acta Mater 58(17):5631–5638. https://doi.org/10.1016/j.actamat.2010.06.036 CrossRef

16.

Gammer C, Mangler C, Karnthaler HP, Rentenberger C (2011) Growth of nanosized chemically ordered domains in intermetallic FeAl made nanocrystalline by severe plastic deformation. Scr Mater 65(1):57–60. https://doi.org/10.1016/j.scriptamat.2011.03.002 CrossRef

17.

Mangler C, Gammer C, Hiebl K, Karnthaler HP, Rentenberger C (2011) Thermally induced transition from a ferromagnetic to a paramagnetic state in nanocrystalline FeAl processed by high-pressure torsion. J Alloys Compd 509:S389–S392. https://doi.org/10.1016/j.jallcom.2010.12.023 CrossRef

18.

Golovin IS, Balagurov AM, Bobrikov IA, Cifre J (2016) Structure induced anelasticity in Fe₃Me (Me = Al, Ga, Ge) alloys. J Alloys Compd 688:310–319. https://doi.org/10.1016/j.jallcom.2016.06.277 CrossRef

19.

Gammer C, Karnthaler HP, Rentenberger C (2017) Reordering a deformation disordered intermetallic compound by antiphase boundary movement. J Alloys Compd 713:148–155. https://doi.org/10.1016/j.jallcom.2017.04.045 CrossRef

20.

Koizumi Y, Allen SM, Ouchi M, Minamino Y, Chiba A (2011) Phase-field simulation of D0₃-type antiphase boundary migration in Fe₃Al with vacancy and solute segregation. Solid State Phenom 172–174:1313–1319. https://doi.org/10.4028/www.scientific.net/SSP.172-174.1313 CrossRef

21.

Koizumi Y, Allen SM, Ouchi M, Minamino Y (2010) Effects of solute and vacancy segregation on antiphase boundary migration in stoichiometric and Al-rich Fe₃Al: a phase-field simulation study. Intermetallics 18(7):1297–1302. https://doi.org/10.1016/j.intermet.2009.12.016 CrossRef

22.

Wang K, Wang Y, Cheng Y (2018) The formation and dynamic evolution of antiphase domain boundary in FeAl alloy: computational simulation in atomic scale. Mater Res. https://doi.org/10.1590/1980-5373-mr-2017-1048

23.

Alster E, Elder KR, Hoyt JJ, Voorhees PW (2017) Phase-field-crystal model for ordered crystals. Phys Rev E 95(2):22105. https://doi.org/10.1103/PhysRevE.95.022105 CrossRef

24.

Hu S, Chen Z, Xi W, Peng Y (2017) Phase-field-crystal study on the evolution behavior of microcracks initiated on grain boundaries under constant strain. J Mater Sci 52(10):5641–5651. https://doi.org/10.1007/s10853-017-0799-x CrossRef

25.

Fallah V, Langelier B, Ofori-Opoku N, Raeisinia B, Provatas N, Esmaeili S (2016) Cluster evolution mechanisms during aging in Al–Mg–Si alloys. Acta Mater 103:290–300. https://doi.org/10.1016/j.actamat.2015.09.027 CrossRef

26.

Khachaturyan AG (1983) Theory of structural transformations in solids. Wiley, New York

27.

Ustinovshikov Y, Koretsky V (1998) Computer simulation of the intermetallics formation process. Comput Mater Sci 11(1):74–86. https://doi.org/10.1016/S0927-0256(97)00191-2 CrossRef

28.

Chen L, Wang Q (1998) Concentration overshooting caused by compositional relaxation in a one-dimensional bcc binary model alloy: a computer simulation on microscopic master equations. Scr Mater 39(8):1113–1118. https://doi.org/10.1016/S1359-6462(98)00273-5 CrossRef

29.

Poduri R, Chen LQ (1998) Computer simulation of atomic ordering and compositional clustering in the pseudobinary Ni₃Al–Ni₃V system. Acta Mater 46(5):1719–1729. https://doi.org/10.1016/S1359-6454(97)00335-2 CrossRef

30.

Wang HY, Wang Y, Tsakalakos T, Semenovskaya S, Khachaturyan AG (1996) Indirect nucleation in phase transformations with symmetry reduction. Philos Mag A 74(6):1407–1420. https://doi.org/10.1080/01418619608240732 CrossRef

31.

Khachaturyan AG, Wang YZ, Wang HY (1994) Metastable phases and nuclei: computer modeling. Mater Sci Forum 155–156:345–366. https://doi.org/10.4028/www.scientific.net/MSF.155-156.345 CrossRef

32.

Chen LQ, Khachaturyan AG (1993) Dynamics of simultaneous ordering and phase separation and effect of long-range Coulomb interactions. Phys Rev Lett 70(10):1477–1480. https://doi.org/10.1103/PhysRevLett.70.1477 CrossRef

33.

Chen L, Wang Y, Khachaturyan AG (1992) Kinetics of tweed and twin formation during an ordering transition in a substitutional solid solution. Philos Mag Lett 65(1):15–23. https://doi.org/10.1080/09500839208215143 CrossRef

34.

Chen L, Wang Y, Khachaturyan AG (1991) Transformation-induced elastic strain effect on the precipitation kinetics of ordered intermetallics. Philos Mag Lett 64(5):241–251. https://doi.org/10.1080/09500839108214618 CrossRef

35.

Zhang J, Chen Z, Wang Y, Tao Y (2013) The temporal evolution of microstructures during structural transition of D0₂₂ and L1₂ involved with transient phases. Superlattice Microst 64:251–264. https://doi.org/10.1016/j.spmi.2013.09.020 CrossRef

36.

Lu Y, Zhang L, Chen Y, Chen Z, Wang Y (2013) Phase-field study for the pre-precipitation process of L1₂-Ni₃Al phase in Ni–Al–V alloy. Intermetallics 38:144–149. https://doi.org/10.1016/j.intermet.2013.02.014 CrossRef

37.

Hou H, Zhao Y, Zhao Y (2009) Simulation of the precipitation process of ordered intermetallic compounds in binary and ternary Ni–Al-based alloys by the phase-field model. Mater Sci Eng A 499(1–2):204–207. https://doi.org/10.1016/j.msea.2007.11.140 CrossRef

38.

Lu Y, Lu G, Liu F, Chen Z, Tang K (2015) Phase-field study on the pre-precipitated phase of ordered intermetallic compounds in binary and ternary Ni–Al base alloys. J Alloys Compd 637:149–154. https://doi.org/10.1016/j.jallcom.2015.03.006 CrossRef

39.

Yang K, Zhang M, Chen Z, Fan X (2012) Microscopic phase-field study for mechanisms of directional coarsening and the transformation of rafting types in Ni–Al–V ternary alloys. Comput Mater Sci 62:160–168. https://doi.org/10.1016/j.commatsci.2012.05.046 CrossRef

40.

Lu Y, Chen Z, Li X, Tang K (2015) Microscopic phase-field study of the effect of temperature on the pre-precipitates of Ni–Al–Cr alloy. Comput Mater Sci 99:247–252. https://doi.org/10.1016/j.commatsci.2014.11.042 CrossRef

41.

Poduri R, Chen LQ (1998) Computer simulation of morphological evolution and coarsening kinetics of δ′ (Al₃Li) precipitates in Al–Li alloys. Acta Mater 46(11):3915–3928. https://doi.org/10.1016/S1359-6454(98)00058-5 CrossRef

42.

Zhao R, Zhu J, Liu Y, Lai Z (2012) The phase field investigation of B2 (FeAl) phase antisite defect during homogenous transformation of Fe–24Al alloy. J Mater Sci 47(7):3376–3382. https://doi.org/10.1007/s10853-011-6181-5 CrossRef

43.

Rahnama A, Kotadia H, Sridhar S (2017) Effect of Ni alloying on the microstructural evolution and mechanical properties of two duplex light-weight steels during different annealing temperatures: experiment and phase-field simulation. Acta Mater 132:627–643. https://doi.org/10.1016/j.actamat.2017.03.043 CrossRef

44.

Wang Y, Chen L, Khachaturyan AG (1992) Particle translational motion and reverse coarsening phenomena in multiparticle systems induced by a long-range elastic interaction. Phys Rev B 46(17):11194–11197. https://doi.org/10.1103/PhysRevB.46.11194 CrossRef

45.

Vaithyanathan V, Chen LQ (2000) Coarsening kinetics of δ′-Al₃Li precipitates: phase-field simulation in 2D and 3D. Scr Mater 42(10):967–973. https://doi.org/10.1016/S1359-6462(00)00323-7 CrossRef

46.

Liu L, Chen Z, Wang Y, Zhang M (2017) The split of dendritic precipitates with interfacial anisotropy in solid transformations in alloys. J Alloys Compd 703:321–329. https://doi.org/10.1016/j.jallcom.2017.01.283 CrossRef

47.

Liu L, Chen Z, Wang Y (2016) Elastic strain energy induced split during precipitation in alloys. J Alloys Compd 661:349–356. https://doi.org/10.1016/j.jallcom.2015.11.201 CrossRef

48.

Chen L, Khachaturyan AG (1991) Computer simulation of decomposition reactions accompanied by a congruent ordering of the second kind. Scr Metall Mater 25(1):61–66. https://doi.org/10.1016/0956-716X(91)90354-4 CrossRef

49.

Haraguchi T, Yoshimi K, Yoo MH, Kato H, Hanada S, Inoue A (2005) Vacancy clustering and relaxation behavior in rapidly solidified B2 FeAl ribbons. Acta Mater 53(13):3751–3764. https://doi.org/10.1016/j.actamat.2005.04.027 CrossRef

50.

Kass M, Brooks CR, Falcon D, Basak D (2002) The formation of defects in Fe–Al alloys. Intermetallics 10(10):951–966. https://doi.org/10.1016/S0966-9795(02)00115-2 CrossRef

51.

Zhao M, Yoshimi K, Nakamura J, Yubuta K, Sugawara T (2014) High-temperature elastic anisotropy of B2-type FeAl. Scr Mater 82:37–40. https://doi.org/10.1016/j.scriptamat.2014.03.016 CrossRef

52.

Pollock TM, Lu DC, Shi X, Eow K (2001) A comparative analysis of low temperature deformation in B2 aluminides. Mater Sci Eng A 317(1–2):241–248. https://doi.org/10.1016/S0921-5093(01)01163-7 CrossRef

53.

Cadel E, Fraczkiewicz A, Blavette D (2001) Atomic scale observation of Cottrell atmospheres in B-doped FeAl (B2) by 3D atom probe field ion microscopy. Mater Sci Eng A 309–310:32–37. https://doi.org/10.1016/S0921-5093(00)01688-9 CrossRef

54.

Hadef F, Otmani A, Djekoun A, Grenèche JM (2011) Nanocrystalline FeAl intermetallics obtained in mechanically alloyed Fe₅₀Al₄₀Ni₁₀ powder. Superlattice Microstruct 49(6):654–665. https://doi.org/10.1016/j.spmi.2011.04.003 CrossRef

55.

Kopecek J, Hausild P, Jurek K, Jarosova M, Drahokoupil J, Novák P, Sima V (2010) Precipitation in the Fe–38 at.% Al–1 at.% C alloy. Intermetallics 18(7):1327–1331. https://doi.org/10.1016/j.intermet.2010.03.027 CrossRef

56.

Hadef F (2017) Synthesis and disordering of B2 TM-Al (TM = Fe, Ni, Co) intermetallic alloys by high energy ball milling: a review. Powder Technol 311:556–578. https://doi.org/10.1016/j.powtec.2017.01.082 CrossRef

57.

Koizumi Y, Allen SM, Minamino Y (2009) Effects of solute and vacancy segregation on migration of a/4 〈111〉 and a/2 〈100〉 antiphase boundaries in Fe₃Al. Acta Mater 57(10):3039–3051. https://doi.org/10.1016/j.actamat.2009.03.012 CrossRef

58.

Feng WM, Yu P, Hu SY, Liu ZK, Du Q, Chen LQ (2006) Spectral implementation of an adaptive moving mesh method for phase-field equations. J Comput Phys 220(1):498–510. https://doi.org/10.1016/j.jcp.2006.07.013 CrossRef

59.

Kim SG, Park YB (2008) Grain boundary segregation, solute drag and abnormal grain growth. Acta Mater 56(15):3739–3753. https://doi.org/10.1016/j.actamat.2008.04.007 CrossRef

60.

Koizumi Y, Allen SM, Minamino Y (2008) Solute and vacancy segregation to a/4 〈111〉 and a/2 〈100〉 antiphase domain boundaries in Fe3Al. Acta Mater 56(19):5861–5874. https://doi.org/10.1016/j.actamat.2008.08.007 CrossRef

Titel: The annihilation kinetics of the nanoscale antiphase domain boundary in B2 alloys: phase field characterization at the atomistic level
verfasst von: Kun Wang
Shi Hu
Yongxin Wang
Publikationsdatum: 03.09.2019
Verlag: Springer US
Erschienen in: Journal of Materials Science / Ausgabe 23/2019
Print ISSN: 0022-2461
Elektronische ISSN: 1573-4803
DOI: https://doi.org/10.1007/s10853-019-03972-0

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