Atomistic Investigation on the Strengthening Mechanism of Single Crystal Ni-Based Superalloy under Complex Stress States
Abstract
:1. Introduction
2. Model and Method
3. Results
3.1. Uniaxial Loading
3.2. Equibiaxial Loading
3.3. Non-Equibiaxial Loading
4. Discussion
5. Conclusions
- (1)
- The strain–stress response demonstrates a significant tension–compression asymmetry, and the strength of compression is larger than that under tension, which is consistent with the experimental observation. In addition, contrary to the tensile loading states, in which the maximum stress does not significantly change between uniaxial and multiaxial loadings, the maximum stress under compressive loading varies evidently.
- (2)
- From the atomistic simulation results, we conclude that tensile loading can promote the bowing of dislocations into the channel, while compressive loading restrains it. This phenomenon is believed to be caused by a coupling effect of both the difference of resolved shear stress and energy barrier at the interface.
- (3)
- The initial dislocation networks are comprised of Lomer dislocations, which dissociate and form the Lomer–Cottrell lock, acting as a barrier to the further glide of dislocations. Meanwhile, as the Lomer–Cottrell lock disappears, the tensile stress of the alloy declines rapidly, which indicates that the main strengthening mechanism of the SC Ni-based superalloy is the formation of the Lomer–Cottrell lock. To initiate the decomposition of one Lomer dislocation, resolved shear stress applied in both dissociated Shockley partials are required to exceed the critical value, that is why a large amount of Lomer dislocations remain undissociated under loading.
- (4)
- During the loading process, the dissociated direction of Lomer dislocation is affected by the energy barrier between and phase. Nevertheless, in the subsequent dislocation movement, the resolved shear stress plays a dominant role and the slip of Shockley partials is consistent with the calculation results of Schmid factors.
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
- Caron, P.; Khan, T. Evolution of Ni-based superalloys for single crystal gas turbine blade applications. Aerosp. Sci. Technol. 1999, 3, 513–523. [Google Scholar] [CrossRef]
- Pollock, T.M.; Argon, A.S. Directional coarsening in nickel-base single crystals with high volume fractions of coherent precipitates. Acta Metall. Mater. 1994, 42, 1859–1874. [Google Scholar] [CrossRef]
- Xia, W.; Zhao, X.; Yue, L.; Zhang, Z. A review of composition evolution in Ni-based single crystal superalloys. J. Mater. Sci. Technol. 2020, 44, 76–95. [Google Scholar] [CrossRef]
- Xia, W.; Zhao, X.; Yue, L.; Zhang, Z. Microstructural evolution and creep mechanisms in Ni-based single crystal superalloys: A review. J. Alloy. Compd. 2020, 819, 152954. [Google Scholar] [CrossRef]
- Zhang, C.; Hu, W.; Wen, Z.; Tong, W.; Zhang, Y.; Yue, Z.; He, P. Creep residual life prediction of a nickel-based single crystal superalloy based on microstructure evolution. Mater. Sci. Eng. A 2019, 756, 108–118. [Google Scholar] [CrossRef]
- Long, H.; Mao, S.; Liu, Y.; Zhang, Z.; Han, X. Microstructural and compositional design of Ni-based single crystalline superalloys―A review. J. Alloy. Compd. 2018, 743, 203–220. [Google Scholar] [CrossRef]
- Reed, R.C. The Superalloys: Fundamentals and Applications; Cambridge University Press: Cambridge, UK; New York, NY, USA, 2006; ISBN 9780511246869. [Google Scholar]
- Fan, Y.S.; Yang, X.G.; Tan, L.; Shi, D.Q.; Li, S.L.; Wang, P. Experiment and modelling on the effect of microstructural morphology on fatigue life of a Ni-based superalloy. Mater. Sci. Eng. A 2020, 786, 139368. [Google Scholar] [CrossRef]
- Wang, R.Z.; Zhu, S.P.; Wang, J.; Zhang, X.C.; Tu, S.T.; Zhang, C.C. High temperature fatigue and creep-fatigue behaviors in a Ni-based superalloy: Damage mechanisms and life assessment. Int. J. Fatigue 2019, 118, 8–21. [Google Scholar] [CrossRef]
- Luo, L.; Ai, C.; Ma, Y.; Li, S.; Pei, Y.; Gong, S. Influence of temperature on the lattice misfit and elastic moduli of a Ni based single crystal superalloy with high volume fraction of γ′ phase. Mater. Charact. 2018, 142, 27–38. [Google Scholar] [CrossRef]
- Zhang, J.X.; Murakumo, T.; Harada, H.; Koizumi, Y. Dependence of creep strength on the interfacial dislocations in a fourth generation SC superalloy TMS-138. Scr. Mater. 2003, 48, 287–293. [Google Scholar] [CrossRef]
- Chang, C.; Jiang, L.; Wu, M.; Li, S.; Han, Y. Effect of temperature and stress on high temperature creep behavior of Ni3Al-based single crystal superalloy. Prog. Nat. Sci. Mater. Int. 2022, 32, 267–271. [Google Scholar] [CrossRef]
- Pei, H.; Yang, Y.; Gu, S.; Zhao, Y.; Yao, X.; Wen, Z.; Yue, Z. Study on oxidation-creep behavior of a Ni-based single crystal superalloy based on crystal plasticity theory. Mater. Sci. Eng. A 2022, 839, 142834. [Google Scholar] [CrossRef]
- Ding, Q.; Bei, H.; Yao, X.; Zhao, X.; Wei, X.; Wang, J.; Zhang, Z. Temperature effects on deformation substructures and mechanisms of a Ni-based single crystal superalloy. Appl. Mater. Today 2021, 23, 101061. [Google Scholar] [CrossRef]
- Wu, R.; Zhao, Y.; Yin, Q.; Wang, J.; Ai, X.; Wen, Z. Atomistic simulation studies of Ni-based superalloys. J. Alloy. Compd. 2021, 855, 157355. [Google Scholar] [CrossRef]
- Zhu, Y.; Li, Z.; Huang, M. Atomistic modeling of the interaction between matrix dislocation and interfacial misfit dislocation networks in Ni-based single crystal superalloy. Comput. Mater. Sci. 2013, 70, 178–186. [Google Scholar] [CrossRef]
- Xiong, J.; Zhu, Y.; Li, Z.; Huang, M. Quantitative study on interactions between interfacial misfit dislocation networks and matrix dislocations in Ni-based single crystal superalloys. Acta Mech. Solida Sin. 2017, 30, 345–353. [Google Scholar] [CrossRef]
- Wu, W.P.; Guo, Y.F.; Wang, Y.S.; Mueller, R.; Gross, D. Molecular dynamics simulation of the structural evolution of misfit dislocation networks at γ/γ′ phase interfaces in Ni-based superalloys. Philos. Mag. 2011, 91, 357–372. [Google Scholar] [CrossRef]
- Li, N.L.; Wu, W.P.; Nie, K. Molecular dynamics study on the evolution of interfacial dislocation network and mechanical properties of Ni-based single crystal superalloys. Phys. Lett. A 2018, 382, 1361–1367. [Google Scholar] [CrossRef]
- Chen, B.; Wu, W.P.; Chen, M.X.; Guo, Y.F. Molecular dynamics study of fatigue mechanical properties and microstructural evolution of Ni-based single crystal superalloys under cyclic loading. Comput. Mater. Sci. 2020, 185, 109954. [Google Scholar] [CrossRef]
- Gebura, M.; Lapin, J. The effect of multiaxial stress state on formation of rafts in CMSX-4 superalloy during creep. Adv. Mater. Res. 2011, 278, 222–227. [Google Scholar] [CrossRef] [Green Version]
- Caccuri, V.; Cormier, J.; Desmorat, R. γ′-Rafting mechanisms under complex mechanical stress state in Ni-based single crystalline superalloys. Mater. Des. 2017, 131, 487–497. [Google Scholar] [CrossRef]
- Cao, L.; Wollgramm, P.; Bürger, D.; Kostka, A.; Cailletaud, G.; Eggeler, G. How evolving multiaxial stress states affect the kinetics of rafting during creep of single crystal Ni-base superalloys. Acta Mater. 2018, 158, 381–392. [Google Scholar] [CrossRef]
- Kakehi, K. Tension/compression asymmetry in creep behavior of a Ni-based superalloy. Scr. Mater. 1999, 41, 461–465. [Google Scholar] [CrossRef]
- Wen, Z.; Pei, H.; Wang, B.; Zhang, D.; Yue, Z. The tension/compression asymmetry of a high γ′ volume fraction nickel-based single-crystal superalloy. Mater. High Temp. 2016, 33, 68–74. [Google Scholar] [CrossRef]
- Wang, B.Z.; Liu, D.S.; Wen, Z.X. The study of tension/compression asymmetry of [111] oriented nickel base single crystal superalloys. Rare Met. Mater. Eng. 2014, 43, 322–326. [Google Scholar]
- Yamashita, M.; Kakehi, K. Tension/compression asymmetry in yield and creep strengths of Ni-based superalloy with a high amount of tantalum. Scr. Mater. 2006, 55, 139–142. [Google Scholar] [CrossRef]
- Tsuno, N.; Shimabayashi, S.; Kakehi, K.; Rae, C.M.F.; Reed, R.C. Tension/compression asymmetry in yield and creep strengths of Ni-based superalloys. Superalloys 2008, 2008, 433–442. [Google Scholar]
- Wang, B.Z.; Liu, D.S.; Wen, Z.X.; Yue, Z.F. Tension/compression asymmetry of [001] single-crystal nickel-based superalloy DD6 during low cycle fatigue. Mater. Sci. Eng. A 2014, 593, 31–37. [Google Scholar] [CrossRef]
- Yin, Q.; Lian, Y.; Wen, Z.; Pei, H.; Wang, J.; Yue, Z. Atomic simulation of the effect of orientation on tensile/compressive properties in nickel-based single crystal superalloys. J. Alloy. Compd. 2022, 893, 162210. [Google Scholar] [CrossRef]
- Plimpton, S. Fast parallel algorithms for short-range molecular dynamics. J. Comput. Phys. 1995, 117, 1–19. [Google Scholar] [CrossRef] [Green Version]
- Mishin, Y. Atomistic modelling of the γ and γ′-phase of the Ni-Al system. Acta Mater. 2004, 52, 1451–1467. [Google Scholar] [CrossRef]
- Li, Y.L.; Wu, W.P.; Ruan, Z.G. Molecular dynamics simulation of the evolution of interfacial dislocation network and stress distribution of a Ni-based single-crystal superalloy. Acta Metall. Sin. (Engl. Lett.) 2016, 29, 689–696. [Google Scholar] [CrossRef] [Green Version]
- Li, R.Z.; Xie, B.; Yang, X.G.; Fan, Y.S.; Sun, Y.T.; Shi, D.Q. Multi-scale modelling of rafting behaviour under complex stress states for Ni3Al superalloys. Int. J. Plast. 2022, 152, 103255. [Google Scholar] [CrossRef]
- Stukowski, A.; Albe, K. Extracting dislocations and non-dislocation crystal defects from atomistic simulation data. Model. Simul. Mater. Sci. Eng. 2010, 18, 085001. [Google Scholar] [CrossRef]
- Stukowski, A. Visualization and analysis of atomistic simulation data with OVITO—The Open Visualization Tool. Model. Simul. Mater. Sci. Eng. 2010, 18, 015012. [Google Scholar] [CrossRef]
- Hull, D.; Bacon, D.J. Introduction to Dislocations; Butterworth-Heinemann: Oxford, UK, 2001. [Google Scholar]
- Rabkin, E.; Nam, H.S.; Srolovitz, D.J. Atomistic simulation of the deformation of gold nanopillars. Acta Mater. 2007, 55, 2085–2099. [Google Scholar] [CrossRef]
- Li, R.; Chew, H.B. Grain boundary traction signatures: Quantifying the asymmetrical dislocation emission processes under tension and compression. J. Mech. Phys. Solids 2017, 103, 142–154. [Google Scholar] [CrossRef] [Green Version]
- Leidermark, D.; Moverare, J.J.; Johansson, S.; Simonsson, K.; Sjöström, S. Tension/compression asymmetry of a single-crystal superalloy in virgin and degraded condition. Acta Mater. 2010, 58, 4986–4997. [Google Scholar] [CrossRef]
- Bourret, A.; Desseaux, J.; Renault, A. Core structure of the Lomer dislocation in germanium and silicon. Philos. Mag. A 1982, 45, 1–20. [Google Scholar] [CrossRef]
- Rabkin, E.; Srolovitz, D.J. Onset of plasticity in gold nanopillar compression. Nano Lett. 2007, 7, 101–107. [Google Scholar] [CrossRef]
Loading State and Directions | Resultant Force Direction Vector | Direction of Channels | Burgers Vector and Schmid Factor of Slipping Shockley Partials | |||
---|---|---|---|---|---|---|
Burgers Vector | Schmid Factor | Burgers Vector | Schmid Factor | |||
Uniaxial tension [001] | [001] | [100] | 0.236 | 0.236 | ||
[010] | 0.236 | 0.236 | ||||
[001] | 0.471 | 0.471 | ||||
Equibiaxial tension [100] [001] | [101] | [100] | 0 | 0.236 | ||
[010] | 0.471 | 0.471 | ||||
[001] | 0 | 0.236 | ||||
Non-equibiaxial tension [100] [001] | [102] | [100] | 0.189 | 0 | ||
[010] | 0.424 | 0.424 | ||||
[001] | 0.236 | 0.424 |
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Xie, B.; Wang, X.; Fan, Y.; Li, R. Atomistic Investigation on the Strengthening Mechanism of Single Crystal Ni-Based Superalloy under Complex Stress States. Metals 2022, 12, 889. https://doi.org/10.3390/met12050889
Xie B, Wang X, Fan Y, Li R. Atomistic Investigation on the Strengthening Mechanism of Single Crystal Ni-Based Superalloy under Complex Stress States. Metals. 2022; 12(5):889. https://doi.org/10.3390/met12050889
Chicago/Turabian StyleXie, Bin, Xinyu Wang, Yongsheng Fan, and Ruizhi Li. 2022. "Atomistic Investigation on the Strengthening Mechanism of Single Crystal Ni-Based Superalloy under Complex Stress States" Metals 12, no. 5: 889. https://doi.org/10.3390/met12050889