Interaction between inclusions and prismatic dislocation loops in Bi-containing free-cutting steel under nanoindentation: a molecular dynamics study

1. Abdeslam, S.: Influence of silver inclusions on the mechanical behavior of Cu-Ag nanocomposite during nanoindentation: molecular dynamics study. Res. Phys. 15, 102672 (2019). https://doi.org/10.1016/j.rinp.2019.10267210.1016/j.rinp.2019.102672 ↗

2. Akasawa, T., Sakurai, H., Nakamura, M., Tanaka, T., Takano, K.: Effects of free-cutting additives on the machinability of austenitic stainless steels. J. Mater. Process. Technol. (2003). https://doi.org/10.1016/S0924-0136(03)00321-210.1016/S0924-0136(03)00321-2 ↗

3. Alcalá, J., Dalmau, R., Franke, O., Biener, M., Biener, J., Hodge, A.: Planar defect nucleation and annihilation mechanisms in nanocontact plasticity of metal surfaces. Phys. Rev. Lett. (2012). https://doi.org/10.1103/PhysRevLett.109.07550210.1103/PhysRevLett.109.075502 ↗

4. Ashby, M., Johnson, L.: On the generation of dislocations at misfitting particles in a ductile matrix. Philos. Mag. 20(167), 1009–1022 (1969). https://doi.org/10.1080/1478643690822806910.1080/14786436908228069 ↗

5. Badar, M.S., Shamsi, S., Ahmed, J., Alam, M.A. (2022). Molecular Dynamics Simulations: Concept, Methods, and Applications. In: Rezaei, N. (eds) Transdisciplinarity. Integrated Science, vol 5. Springer, Cham. https://doi.org/10.1007/978-3-030-94651-7_710.1007/978-3-030-94651-7_7 ↗

6. Bonny, G., Terentyev, D., Pasianot, R.C., et al.: Interatomic potential to study plasticity in stainless steels: the FeNiCr model alloy. Model. Simul. Mater. Sci. Eng. 19, 085008 (2011). https://doi.org/10.1088/0965-0393/19/8/08500810.1088/0965-0393/19/8/085008 ↗

7. Cui, Y., Chen, Z., Ju, Y.: New mechanisms of helical dislocation formation via the pinch-off process near a nano-inhomogeneity. Comput. Mater. Sci. 155, 400–409 (2018). https://doi.org/10.1016/j.commatsci.2018.08.06310.1016/j.commatsci.2018.08.063 ↗

8. Drouet, J., Dupuy, L., Onimus, F., Mompiou, F., Perusin, S., Ambard, A.: Dislocation dynamics simulations of interactions between gliding dislocations and radiation induced prismatic loops in zirconium. J. Nucl. Mater. 449(1–3), 252–262 (2014). https://doi.org/10.1016/j.jnucmat.2013.11.04910.1016/j.jnucmat.2013.11.049 ↗

9. Fang, T.H., Wu, J.H.: Molecular dynamics simulations on nanoindentation mechanisms of multilayered films. Comput. Mater. Sci. (2008). https://doi.org/10.1016/j.commatsci.2008.01.06610.1016/j.commatsci.2008.01.066 ↗

10. Filippova, V.P., Kunavin, S.A., Pugachev, M.S.: Calculation of the parameters of the Lennard-Jones potential for pairs of identical atoms based on the properties of solid substances. Inorg. Mater. Appl. Res. (2015). https://doi.org/10.1134/S207511331501006210.1134/S2075113315010062 ↗

11. Fu, T., Peng, X., Zhao, Y., Sun, R., Weng, S., Feng, C., Wang, Z.: Molecular dynamics simulation of TiN (001) thin films under indentation. Ceram. Int. 41, 14078–14086 (2015). https://doi.org/10.1016/j.ceramint.2015.07.02710.1016/j.ceramint.2015.07.027 ↗

12. Fu, T., Peng, X., Chen, X., et al.: Molecular dynamics simulation of nanoindentation on Cu/Ni nanotwinned multilayer films using a spherical indenter. Sci. Rep. 6, 35665 (2016). https://doi.org/10.1038/srep3566510.1038/srep35665 ↗

13. Gagel, J., Weygand, D., Gumbsch, P.: Formation of extended prismatic dislocation structures under indentation. Acta Mater. 111, 399–406 (2016). https://doi.org/10.1016/j.actamat.2016.04.00210.1016/j.actamat.2016.04.002 ↗

14. Goel, S., Haque Faisal, N., Luo, X., Yan, J., Agrawal, A.: Nanoindentation of polysilicon and single crystal silicon: molecular dynamics simulation and experimental validation. J. Phys. D Appl. Phys. 47(27), 275304 (2014). https://doi.org/10.1088/0022-3727/47/27/27530410.1088/0022-3727/47/27/275304 ↗

15. Gonzalez, J.P., Thomas, J.B., Mazzucchelli, M.L., et al.: First evaluation of stiff-in-soft host–inclusion systems: experimental synthesis of zircon inclusions in quartz crystals. Contrib. Mineral. Petrol. 179, 13 (2024). https://doi.org/10.1007/s00410-023-02081-110.1007/s00410-023-02081-1 ↗

16. Isobe, K.: Causes of pinhole generation on solidification of low carbon S-Pb freecutting steel cast continuously. Tetsu-to-Hagane (2018). https://doi.org/10.2355/tetsutohagane.TETSU-2017-09810.2355/tetsutohagane.TETSU-2017-098 ↗

17. Johnson, K.L.: Contact Mechanics. Cambridge University Press (1985)10.1017/CBO9781139171731 ↗

18. Kelchner, C.L., H.J.C, P.S.J.: Dislocation nucleation and defect structure during surface indentation. Phys. Rev. B 58, 11085–11088 (1998). https://doi.org/10.1103/PhysRevB.58.1108510.1103/PhysRevB.58.11085 ↗

19. Lee, Y., Park, J.Y., Kim, S.Y., Jun, S., Im, S.: Atomistic simulations of incipient plasticity under Al(111) nanoindentation. Mech. Mater. 37, 1035–1048 (2005). https://doi.org/10.1016/j.mechmat.2005.01.00410.1016/j.mechmat.2005.01.004 ↗

20. Lee, S., Vaid, A., Im, J., et al.: In-situ observation of the initiation of plasticity by nucleation of prismatic dislocation loops. Nat. Commun. 11, 2367 (2020). https://doi.org/10.1038/s41467-020-15775-y10.1038/s41467-020-15775-y ↗

21. Li, Y., Suzuki, T., Tang, N., Koizumi, Y., Chiba, A.: Microstructure evolution of SUS303 free-cutting steel during hot compression process. Mater. Sci. Eng. A (2013). https://doi.org/10.1016/j.msea.2013.06.06910.1016/j.msea.2013.06.069 ↗

22. Li, J., Yang, S., et al.: Effect of crystal orientation on the nanoindentation deformation behavior of TiN coating based on molecular dynamics. Surf. Coat. Technol. 467, 129721 (2023). https://doi.org/10.1016/j.surfcoat.2023.12972110.1016/j.surfcoat.2023.129721 ↗

23. Lin, S.G., Yang, H.H., Su, Y.H., Chang, K.L., Yang, C.H., Lin, S.K.: CALPHAD-assisted morphology control of manganese sulfide inclusions in freecutting steels. J. Alloys Compd. (2019). https://doi.org/10.1016/j.jallcom.2018.11.29010.1016/j.jallcom.2018.11.290 ↗

24. Liu, Y., Varghese, S., Ma, J., Yoshino, M., Lu, H., Komanduri, R.: Orientation effects in nanoindentation of single crystal copper. Int. J. Plast. 24, 1990–2015 (2008). https://doi.org/10.1016/j.ijplas.2008.02.00910.1016/j.ijplas.2008.02.009 ↗

25. Liu, N., Xie, J., Shen, P., Xu, X., Fu, J.: In-situ study of microstructures and sulphides and machinability of Bi-bearing free-cutting steels. Ironmak. Steelmak. (2023). https://doi.org/10.1080/03019233.2022.210824510.1080/03019233.2022.2108245 ↗

26. Luu, H.T., Dang, S.L., Hoang, T.V., Gunkelmann, N.: Molecular dynamics simulation of nanoindentation in Al and Fe: On the influence of system characteristics. Appl. Surf. Sci. (2021). https://doi.org/10.1016/j.apsusc.2021.14922110.1016/j.apsusc.2021.149221 ↗

27. Miura, Y.: Punched‐out dislocation rosettes in low‐dislocation‐density copper. J. Appl. Phys. 43(6), 2917–2918 (1972). https://doi.org/10.1063/1.166162810.1063/1.1661628 ↗

28. H.W. Nie, J.L. Zhou, C.M. Lai, H.Q. Chen, Z.S. Zhu, Process practice, microstructure and properties of sulfur free-cutting steel C1118. J. Iron Steel Res. (2015). https://doi.org/10.13228/j.boyuan.issn1001-0963.20150190.10.13228/j.boyuan.issn1001-0963.20150190 ↗

29. Oliver, W.C., Pharr, G.M.: An improved technique for determining hardness and elastic modulus using load and displacement sensing indentation experiments. J. Mater. Res. 7(6), 1564–1583 (1992)10.1557/JMR.1992.1564 ↗

30. Pang, W.W., Zhang, P., Zhang, G.C., et al.: Dislocation creation and void nucleation in FCC ductile metals under tensile loading: a general microscopic picture. Sci. Rep. 4, 6981 (2014). https://doi.org/10.1038/srep0698110.1038/srep06981 ↗

31. Remington, T.P., Ruestes, C.J.: Plastic deformation in nanoindentation of tantalum: a new mechanism for prismatic loop formation. Acta Mater. 78, 378–393 (2014). https://doi.org/10.1016/j.actamat.2014.06.05810.1016/j.actamat.2014.06.058 ↗

32. Sato, Y., Shinzato, S., Ohmura, T., Hatano, T., Yanagimoto, J., Ogata, S.: Molecular Dynamics Simulation on the Initiation of Plastic Deformation by Nanoindentation. In: Mocellin, K., Bouchard, PO., Bigot, R., Balan, T. (eds) Proceedings of the 14th International Conference on the Technology of Plasticity—Current Trends in the Technology of Plasticity. ICTP 2023. Lecture Notes in Mechanical Engineering. Springer, Cham. (2024). https://doi.org/10.1007/978-3-031-42093-1_4510.1007/978-3-031-42093-1_45 ↗

33. Shih, M., Miao, J., Mills, M., et al.: Stacking fault energy in concentrated alloys. Nat. Commun. 12, 3590 (2021). https://doi.org/10.1038/s41467-021-23860-z10.1038/s41467-021-23860-z ↗

34. Stukowski, A.: Visualization and analysis of atomistic simulation data with OVITO-the open visualization tool. Model. Simul. Mater. Sci. Eng. 18, 015012 (2010)10.1088/0965-0393/18/1/015012 ↗

35. Style, R., Boltyanskiy, R., Allen, B., et al.: Stiffening solids with liquid inclusions. Nat. Phys. 11, 82–87 (2015). https://doi.org/10.1038/nphys318110.1038/nphys3181 ↗

36. Sun, L., Gong, H.R., Gong, X., Gao, F., Liang, C.P.: Effects of lead, bismuth and alloying elements on elastic anisotropy and fracture toughness of N1-Fe. J. Nucl. Mater. 583, 154545 (2023). https://doi.org/10.1016/j.jnucmat.2023.15454510.1016/j.jnucmat.2023.154545 ↗

37. Thompson, A.P., Aktulga, H.M., Berger, R., et al.: LAMMPS—A flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Comput. Phys. Commun. (2021). https://doi.org/10.1016/j.cpc.2021.10817110.1016/j.cpc.2021.108171 ↗

38. Tsuru, T., Shibutani, Y., Kaji, Y.: Nanoscale contact plasticity of crystalline metal: experiment and analytical investigation via atomistic and discrete dislocation models. Acta Mater. 58, 3096–3102 (2010). https://doi.org/10.1016/j.actamat.2010.01.04810.1016/j.actamat.2010.01.048 ↗

39. Wang, W., Hua, D., Luo, D., et al.: Molecular dynamics simulation of deformation mechanism of CoCrNi medium entropy alloy during nanoscratching. Comput. Mater. Sci. (2022). https://doi.org/10.1016/j.commatsci.2021.11108510.1016/j.commatsci.2021.111085 ↗

40. Xie, J.B.: Forms and roles of bismuth in steel: a review. Steel Res. Int. 94, 2200625 (2023). https://doi.org/10.1002/srin.20220062510.1002/srin.202200625 ↗

41. Yu, H., Cocks, A.C.F., Tarleton, E.: Formation of prismatic dislocation loops during unloading in nanoindentation. Scripta Mater. 189, 112–116 (2020). https://doi.org/10.1016/j.scriptamat.2020.07.06210.1016/j.scriptamat.2020.07.062 ↗

42. Zhang, Y., Han, J.: A study of graphitization of free-cutting steel. Met. Sci. Heat Treat. (2019). https://doi.org/10.1007/s11041-019-00362-w10.1007/s11041-019-00362-w ↗

43. Zhou, H.N., Dickel, D.E., Baskes, M.I., et al.: A modified embedded-atom method interatomic potential for bismuth. Model. Simul. Mater. Sci. Eng. 29, 065008 (2021). https://doi.org/10.1088/1361-651X/ac095c10.1088/1361-651X/ac095c ↗

44. Zhou, P., Shuang, F., Shi, R.-H.: Distinct nucleation and propagation of prismatic dislocation loop arrays in Ni and medium-entropy CrCoNi alloy: insights from molecular dynamics simulations. Mater. Today Commun. 36, 106791 (2023). https://doi.org/10.1016/j.mtcomm.2023.10679110.1016/j.mtcomm.2023.106791 ↗