DataVXApplied Physics APaper
journal article·2026-06

Molecular dynamics simulation of the influence of void defects on machining damage in nano-cutting Ni3Al-based alloys

Lan Jin, Yanhui Chen, Kaiqiang Li

Applied Physics A· Volume 132· Issue 6
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Metals & alloys

OpenAlex topics: Microstructure and mechanical properties · Intermetallics and Advanced Alloy Properties · Surface Treatment and Residual Stress

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References (43)

Show source-provided references
1. W. Xia, X. Zhao, L. Yue et al., A review of composition evolution in Ni-based single crystal superalloys[J]. J. Mater. Sci. Technol. 44, 76–95 (2020). https://doi.org/10.1016/j.jmst.2020.01.02610.1016/j.jmst.2020.01.026 ↗
2. L. Yuxiao, C. Tieshan, C. Jiawan et al., Microstructural damage in nickel-based single crystal superalloy turbine blades for aeroengines after service [J]. Mater. Mech. Eng. 49(02), 34–42 (2025). https://doi.org/10.11973/jxgccl24009110.11973/jxgccl240091 ↗
3. X. Yao, Q. Ding, X. Zhao et al., Microstructural rejuvenation in a Ni-based single crystal superalloy[J]. Mater. Today Nano. 17, 100152 (2022). https://doi.org/10.1016/j.mtnano.2021.10015210.1016/j.mtnano.2021.100152 ↗
4. S.K. Selvaraj, G. Sundaramali, S. Jithin Dev et al., Recent advancements in the field of Ni-based superalloys[J]. Adv. Mater. Sci. Eng. 2021(1), 9723450 (2021). https://doi.org/10.1155/2021/972345010.1155/2021/9723450 ↗
5. M.D. Chapetti, Fracture mechanics for fatigue design of metallic components and small defect assessment[J]. Int. J. Fatigue. 154, 106550 (2022). https://doi.org/10.1016/j.ijfatigue.2021.10655010.1016/j.ijfatigue.2021.106550 ↗
6. X. Jing, Y. Wang, B. Liu, Atomic simulation study on the effect of defects on nano-cutting mechanism of single crystal copper[J]. Mater. Today Commun. 40, 109466 (2024). https://doi.org/10.1016/j.mtcomm.2024.10946610.1016/j.mtcomm.2024.109466 ↗
7. F. Fengzhou, Lai Min. Mechanisms of nano-cutting and Research Progress[J]. Sci. China: Technological Sci. 2014,44(10):1052–1070. https://doi.org/10.1360/N092014-0021710.1360/N092014-00217 ↗
8. Z. Zhu, D. Luo, M. Zheng et al., Atomic-scale study of the nano-cutting deformation mechanism of nickel-based single crystal superalloy containing Cr, Co, and γ/γ´[J]. Appl. Phys. A 129(4), 300 (2023). https://doi.org/10.1007/s00339-023-06582-510.1007/s00339-023-06582-5 ↗
9. Z. Cheng Wei, L. Li, Xiubo et al., Study on the effect of proportional addition of Co and Cu on the nano-friction properties and deformation mechanism of FeCrNi Alloy [J]. Trans. Chin. Soc. Mech. Eng. 61(11), 266–278 (2025). https://doi.org/10.3901/JME.2025.11.26610.3901/JME.2025.11.266 ↗
10. H. Liu Xianping, L. Zhaopeng, Zaizhen et al., Study on the evolution mechanism of subsurface defects in nano-cutting nickel-based single crystal alloys [J]. J. Mech. Sci. Technol. 41(07), 1062–1069 (2022). https://doi.org/10.13433/j.cnki.1003-8728.2020044510.13433/j.cnki.1003-8728.20200445 ↗
11. R. Feng, Y. Qi, Z. Zhu et al., Molecular dynamics simulation to investigate the rake angle effects on nanometric cutting of single crystal Ni3Al[J]. Int. J. Precis. Eng. Manuf. 21(4), 711–724 (2020). https://doi.org/10.1007/s12541-019-00249-z10.1007/s12541-019-00249-z ↗
12. Y.H. HAO Z P, LOU Z Z, FAN, Study on the evolution mechanism of subsurface defects in nickel-based single crystal alloy during atomic and close-to-atomic scale cutting[J]. J. Manuf. Process. 68, 14–33 (2021). https://doi.org/10.1016/j.jmapro.2021.07.01310.1016/j.jmapro.2021.07.013 ↗
13. S.V. Hosseini, H. Parvaz, M. Heidari et al., Molecular dynamics investigation into the effect of nano-void size on cutting parameters in copper single crystal[J]. Sādhanā. 47(1), 6 (2022). https://doi.org/10.1007/s12046-021-01735-910.1007/s12046-021-01735-9 ↗
14. J. Gong, C. Zhou, R. Guo et al., Study on the effect of nano-pores on FeO fracture in polycrystalline FeO/Fe based on molecular dynamics[J]. J. Mol. Phys. 42(05), 87–95 (2025). https://doi.org/10.19855/j.1000-0364.2025.05200510.19855/j.1000-0364.2025.052005 ↗
15. P. Zhang, H. Zhou, Y. Sun et al., Investigation on the surface damage mechanism of single-crystal γ-TiAl alloy with pore defects based on nanocutting[J]. Vacuum. 229, 113613 (2024). https://doi.org/10.1016/j.vacuum.2024.11361310.1016/j.vacuum.2024.113613 ↗
16. L. Yang, K. Sun, H. Wu, Effect of Void Defects on the Indentation Behavior of Ni/Ni3Al Crystal[J]. Nanomaterials, 2023, 13(13): 1969. https://doi.org/10.3390/nano1313196910.3390/nano13131969 ↗
17. J.P. Wang, J.W. Liang, Z.X. Wen et al., Atomic simulation of void location effect on the void growth in nickel-based single crystal[J]. Comput. Mater. Sci. 160, 245–255 (2019). https://doi.org/10.1016/j.commatsci.2018.12.05310.1016/j.commatsci.2018.12.053 ↗
18. H. Liu, X.M. Wang, H. Liang et al., The effect of void defect on the evolution mechanisms of dislocations and mechanical properties in nickel-based superalloys by molecular dynamics simulation of real γ/γ′ structures[J]. Int. J. Solids Struct. 191, 464–472 (2020). https://doi.org/10.1016/j.ijsolstr.2020.01.00410.1016/j.ijsolstr.2020.01.004 ↗
19. Y. Zhang, S. Jiang, X. Zhu et al., Influence of void density on dislocation mechanisms of void shrinkage in nickel single crystal based on molecular dynamics simulation[J]. Phys. E: Low-dimensional Syst. Nanostruct. 90, 90–97 (2017). https://doi.org/10.1016/j.physe.2017.03.01410.1016/j.physe.2017.03.014 ↗
20. PLIMPTON S. Fast Parallel Algorithms for Short Range Molecular Dynamics[J]. J. Comput. Phys., 1995, 117(1): 1–19. https://doi.org/10.2172/1017642110.2172/10176421 ↗
21. STUKOWSKI A. Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool [J]. Modelling and Simulation. in Mater. Sci. Eng., 2010, 18(1). https://doi.org/10.1088/0965-0393/18/1/01501210.1088/0965-0393/18/1/015012 ↗
22. H. Zhao Xianggang, Y. Xiuqing, Caixu et al., Research Progress on Diamond Tool Machining Technology for Ferrous Metals [J]. Chin. J. Surf. Eng. 35(01), 34–52 (2022). https://doi.org/10.11933/j.issn.1007-9289.2021051700110.11933/j.issn.1007-9289.20210517001 ↗
23. Z. Xia, B. Gao, J. Yu et al., Molecular dynamics study of nano-cutting mechanical properties and microstructural evolution behavior of Ni/Ni3Al phase structure[J]. J. Mater. Res. Technol. 19, 2447–2457 (2022). https://doi.org/10.1016/j.jmrt.2022.06.02110.1016/j.jmrt.2022.06.021 ↗
24. H. Yanzhen, L. Ting, C. Gracia et al., Effect of Homogenization Treatment on Microstructure and Properties of Additively Manufactured Nickel-Based Alloys [J]. Heat Treat. Met. 50(09), 118–124 (2025). https://doi.org/10.13251/j.issn.0254-6051.2025.09.01810.13251/j.issn.0254-6051.2025.09.018 ↗
25. G.Q. Xu, M.J. Demkowicz, Healing of Nanocracks by Disclinations [J]. Phys. Rev. Lett. 111(14), 145501 (2013). https://doi.org/10.1103/PhysRevLett.111.14550110.1103/PhysRevLett.111.145501 ↗
26. Liu Yunchun. Simulation Study on Mechanical Properties of Porous NiCu Alloys [D]. Guizhou University, 2024. https://doi.org/10.27047/d.cnki.ggudu.2024.00311710.27047/d.cnki.ggudu.2024.003117 ↗
27. E.S. Nos’, A Unified Formulation of the Constant Temperature Molecular Dynamics Methods[J]. J. Chem. Phys. 81(1), 511–520 (1984). https://doi.org/10.1063/1.44733410.1063/1.447334 ↗
28. X. Jing, Y. Wang, B. Liu, Atomic simulation study on the effect of defects on nano-cutting mechanism of single crystal copper[J]. Mater. Today Commun. 40, 109466 (2024). https://doi.org/10.1016/j.mtcomm.2024.10946610.1016/j.mtcomm.2024.109466 ↗
29. J. Li, Y. Sun, H. Xie et al., Effect of cutting parameters on the depth of subsurface deformed layers of single γ-TiAl alloy during nano-cutting process[J]. Appl. Phys. A 128(3), 189 (2022). https://doi.org/10.1007/s00339-022-05297-310.1007/s00339-022-05297-3 ↗
30. M.I. Baskes, X. Sha, J.E. Angelo et al., Trapping of hydrogen to lattice defects in nickel[J]. Modell. Simul. Mater. Sci. Eng. 5(6), 651–652 (1997). https://doi.org/10.1088/0965-0393/5/6/00710.1088/0965-0393/5/6/007 ↗
31. M. Wang, F. Wang, H.B. Wang et al., Effects of bismuth nanoparticles on the nano-cutting properties of single-crystal iron materials: a molecular dynamics study[J]. Appl. Phys. A 129(10), 687 (2023). https://doi.org/10.1007/s00339-023-06953-y10.1007/s00339-023-06953-y ↗
32. L. Jin Lan, Y.T. Kaiqiang, Effect of Loading Temperature on Processed Surface of Ni3Al-Based Alloy by MD Simulation[J]. Rare Metal Mater. Eng. 53(04), 1011–1020 (2024). https://doi.org/10.12442/j.issn.1002-185X.2023055210.12442/j.issn.1002-185X.20230552 ↗
33. J. Tersoff, New empirical approach for the structure and energy of covalent systems [J]. Phys. Rev. B 37(12), 6991–7000 (1988). https://doi.org/10.1103/physrevb.37.699110.1103/physrevb.37.6991 ↗
34. G.P. Purja Pun, Y. Mishin, Development of an interatomic potential for the Ni-Al system [J]. Phil. Mag. 89(34–36), 3245–3267 (2009). https://doi.org/10.1080/1478643090325818410.1080/14786430903258184 ↗
35. J. Tersoff, Chemical order in amorphous silicon carbide [J]. Phys. Rev. B 49(23), 16349–16352 (1994). https://doi.org/10.1103/physrevb.49.1634910.1103/physrevb.49.16349 ↗
36. D. HUA, Q. ZHOU, Y. SHI et al., Revealing the deformation mechanisms of < 110 > symmetric tilt grain boundaries in CoCrNi medium-entropy alloy[J]. Int. J. Plast. 171, 103832 (2023). https://doi.org/10.1016/j.ijplas.2023.10383210.1016/j.ijplas.2023.103832 ↗
37. Z.C. Ma, X.Z. Tang, Y. Mao et al., The plastic deformation mechanisms of hcp single crystals with different orientations: Molecular dynamics simulations[J]. Materials. 14(4), 733 (2021). https://doi.org/10.3390/ma1404073310.3390/ma14040733 ↗
38. C.A.R.R.O.L.L.L.J. CABET C, CARROLL M C et al., The development of microstructural damage during high temperature creep–fatigue of a nickel alloy[J]. Int. J. Fatigue. 47, 115–125 (2013). https://doi.org/10.1016/j.ijfatigue.2012.07.01610.1016/j.ijfatigue.2012.07.016 ↗
39. R. Feng, N. Wang, W. Chen et al., Molecular dynamics simulation of effect of void on subsurface defect evolution in nano-cutting of γ-TiAl alloy[J]. J. Appl. Phys. 138(5) (2025). https://doi.org/10.1063/5.027559210.1063/5.0275592 ↗
40. Z. Zheng Jiangfeng, H. Guoqing, Junhong et al., Study on the Formation Mechanism of Diamond-Cut Single-Crystal Nickel Nanostructures[J]. Chin. J. Mech. Eng. 36(05), 963–973 (2025). https://doi.org/10.3969/j.issn.1004-132X.2025.05.00810.3969/j.issn.1004-132X.2025.05.008 ↗
41. P. Jozwik, W. Polkowski, Z. Bojar, Applications of Ni3Al-Based Intermetallic Alloys—Current Stage and Potential Perceptivities[J]. Materials. 8(5), 2537–2568 (2015). https://doi.org/10.3390/ma805253710.3390/ma8052537 ↗
42. D. Doan, T. Fang, T. Chen, Influences of grain size and temperature on tribological characteristics of CuAlNi alloys under nanoindentation and nanoscratch[J]. Int. J. Mech. Sci. 185, 105865 (2020). https://doi.org/10.1016/j.ijmecsci.2020.10586510.1016/j.ijmecsci.2020.105865 ↗
43. G.D. Lima-Chaves, A. Acharya, M.V. Upadhyay, A finite deformation theory of dislocation thermomechanics[J]. J. Mech. Phys. Solids. 200, 106141 (2025). https://doi.org/10.1016/j.jmps.2025.10614110.1016/j.jmps.2025.106141 ↗