nach oben

Physics of Metals and Metallography

Erschienen in:

29.12.2023 | STRENGTH AND PLASTICITY

Effects of Bi Inclusion on Tensile Mechanical Property and Deformation Mechanism of Nanopolycrystalline Fe: A Molecular Dynamics study

verfasst von: Jingcheng Zhang, Fazhan Wang, Minggang Wang, Hongbo Wang, Zhen Chen, Yixuan Wang

Erschienen in: Physics of Metals and Metallography | Ausgabe 13/2023

Einloggen

Aktivieren Sie unsere intelligente Suche, um passende Fachinhalte oder Patente zu finden.

search-config

KI-gestützte Suche

Aus

Abstract

The effects of bismuth inclusion on the mechanical properties and deformation mechanisms of nanopolycrystalline iron under uniaxial tensile loading were investigated using molecular dynamics simulations. The analysis of the stress-strain behavior of polycrystalline pure Fe and alloy containing Bi inclusion shows that the Young’s modulus of the latter is lower, the strain into the yield stage is smaller, and the yield strength is significantly decreased. Microscopic analysis of pure Fe polycrystalline and Fe–Bi polycrystalline systems with small grain size shows that the deformation mechanisms of pure Fe polycrystalline systems are mainly grain boundary migration, grain boundary slip and grain twisting, while a limited amount of twinning can be observed. The deformation of Fe–Bi system is accomplished based on the deformation mechanism of pure Fe system combined with the shear slip of atoms in Bi inclusion and adjacent region. Meanwhile, the nucleation and growth of cavity can be observed inside the inclusion.

Vorheriger Artikel The Effect of Grit Blasting on Surface Roughness and Hardness of Magnesium Alloy AZ31B: A Statistical Study

Sie haben noch keine Lizenz? Dann Informieren Sie sich jetzt über unsere Produkte:

Springer Professional "Wirtschaft+Technik"

Online-Abonnement

Mit Springer Professional "Wirtschaft+Technik" erhalten Sie Zugriff auf:

über 102.000 Bücher
über 537 Zeitschriften

aus folgenden Fachgebieten:

Automobil + Motoren
Bauwesen + Immobilien
Business IT + Informatik
Elektrotechnik + Elektronik
Energie + Nachhaltigkeit
Finance + Banking
Management + Führung
Marketing + Vertrieb
Maschinenbau + Werkstoffe
Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

Jetzt informieren

Springer Professional "Wirtschaft"

Online-Abonnement

Mit Springer Professional "Wirtschaft" erhalten Sie Zugriff auf:

über 67.000 Bücher
über 340 Zeitschriften

aus folgenden Fachgebieten:

Bauwesen + Immobilien
Business IT + Informatik
Finance + Banking
Management + Führung
Marketing + Vertrieb
Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

Jetzt informieren

Springer Professional "Technik"

Online-Abonnement

Mit Springer Professional "Technik" erhalten Sie Zugriff auf:

über 67.000 Bücher
über 390 Zeitschriften

aus folgenden Fachgebieten:

Automobil + Motoren
Bauwesen + Immobilien
Business IT + Informatik
Elektrotechnik + Elektronik
Energie + Nachhaltigkeit
Maschinenbau + Werkstoffe

Jetzt Wissensvorsprung sichern!

Jetzt informieren

D. Lou, K. Cui, and Y. Jia, “Study on the machinability of resulfurized composite free-cutting steels,” J. Mater. Eng. Perform. 6, 215–218 (1997). https://doi.org/10.1007/s11665-997-0017-0CrossRef

Z. Li and D. Wu, “Effect of free-cutting additives on machining characteristics of austenitic stainless steels,” J. Mater. Sci. Technol. 26, 839–844 (2010). https://doi.org/10.1016/s1005-0302(10)60134-xCrossRef

Yu. Li, T. Suzuki, N. Tang, Yu. Koizumi, and A. Chiba, “Microstructure evolution of SUS303 free-cutting steel during hot compression process,” Mater. Sci. Eng., A 583, 161–168 (2013). https://doi.org/10.1016/j.msea.2013.06.069CrossRef

Yi. Guo, Q. Wang, G. Chen, and S. He, “Castability of aluminum- and sulfur-bearing free-cutting steel,” J. Iron Steel Res. Int. 22 (S1), 87–92 (2015). https://doi.org/10.1016/s1006-706x(15)30144-8CrossRef

P. Zhang, Z. Zeng, T. Fan, P. Shen, and J. Fu, “Deep analysis of free-cutting phase and its distribution in japanese SF20T pen tip steel,” IOP Conf. Ser.: Mater. Sci. Eng. 611, 012019 (2019). https://doi.org/10.1088/1757-899x/611/1/012019

D. Wu and Z. Li, “A new Pb-free machinable austenitic stainless steel,” J. Iron Steel Res. Int. 17, 59–63 (2010). https://doi.org/10.1016/s1006-706x(10)60046-5CrossRef

H. T. Liu and W. Q. Chen, “Hot ductility of eco-friendly low carbon resulphurised free cutting steel with bismuth,” Ironmaking Steelmaking 41, 19–25 (2014). https://doi.org/10.1179/1743281212y.0000000095ADSCrossRef

H. Yaguchi, “Effect of soft additives (Pb/Bi) on machinability of low carbon resulphurised free machining steels,” Mater. Sci. Technol. 5, 255–267 (1989). https://doi.org/10.1179/mst.1989.5.3.255ADSCrossRef

H. T. Liu and W. Q. Chen, “Research on recovery for adding low melting point metal bismuth to eco-friendly Bi–S based free cutting steel,” Ironmaking Steelmaking 41, 355–359 (2014). https://doi.org/10.1179/1743281213y.0000000160CrossRef

10.

H. Fu, J. Rydel, A. Gola, F. Yu, K. Geng, C. Lau, H. Luo, and P. Rivera-Díaz-Del-Castillo, “The relationship between 100Cr6 steelmaking, inclusion microstructure and rolling contact fatigue performance,” Int. J. Fatigue 129, 104899 (2018). https://doi.org/10.1016/j.ijfatigue.2018.11.011CrossRef

11.

M. Wu, W. Fang, R. Chen, B. Jiang, H. Wang, Ya. Liu, and H. Liang, “Mechanical anisotropy and local ductility in transverse tensile deformation in hot rolled steels: The role of MnS inclusions,” Mater. Sci. Eng.: A 744, 324–334 (2018). https://doi.org/10.1016/j.msea.2018.12.026CrossRef

12.

A. L. V. da Costa e Silva, “The effects of non-metallic inclusions on properties relevant to the performance of steel in structural and mechanical applications,” J. Mater. Res. Technol. 8, 2408–2422 (2019). https://doi.org/10.1016/j.jmrt.2019.01.009CrossRef

13.

K. Huang, K. Marthinsen, Q. Zhao, and R. Logé, “The double-edge effect of second-phase particles on the recrystallization behaviour and associated mechanical properties of metallic materials,” Prog. Mater. Sci. 92, 284–359 (2018). https://doi.org/10.1016/j.pmatsci.2017.10.004CrossRef

14.

K. Hajizadeh and K. J. Kurzydlowski, “Microstructure evolution and mechanical properties of AISI 316H austenitic stainless steel processed by warm multi-pass ecap,” Phys. Met. Metallogr. 122, 931–938 (2021). https://doi.org/10.1134/s0031918x21300013ADSCrossRef

15.

A. E. Svirid, V. G. Pushin, N. N. Kuranova, V. V. Makarov, and A. N. Uksusnikov, “The effect of heat treatment on the structure and mechanical properties of nanocrystalline Cu–14Al–3Ni alloy subjected to high-pressure torsion,” Phys. Met. Metallogr. 122, 883–890 (2021). https://doi.org/10.1134/s0031918x21090131ADSCrossRef

16.

V. E. Porsev, A. L. Ul’yanov, and G. A. Dorofeev, “Short-range order evolution in nanocrystalline mechanically activated Fe–Cr alloys in the process of annealing,” Phys. Met. Metallogr. 121, 783–790 (2020). https://doi.org/10.1134/s0031918x20080086ADSCrossRef

17.

A. N. Lubnin, G. A. Dorofeev, and V. I. Lad’yanov, “X-ray diffraction study of deformational evolution of stacking faults in nanocrystalline metals,” Phys. Met. Metallogr. 121, 1087–1096 (2020). https://doi.org/10.1134/s0031918x2011006xADSCrossRef

18.

R. Wu, Q. Yin, J. Wang, Q. Mao, X. Zhang, and Z. Wen, “Effect of Re on mechanical properties of single crystal Ni-based superalloys: Insights from first-principle and molecular dynamics,” J. Alloys Compd. 862, 158643 (2021). https://doi.org/10.1016/j.jallcom.2021.158643CrossRef

19.

Ye. Jiao, W. Dan, and W. Zhang, “Effects of hydrogen on the deformation mechanism of face-centred cubic Fe–C single crystal with nanovoid: A molecular dynamics simulation,” J. Alloys Compd. 870, 159330 (2021). https://doi.org/10.1016/j.jallcom.2021.159330CrossRef

20.

Yu. Qi, T. He, H. Xu, Ya. Hu, M. Wang, and M. Feng, “Effects of microstructure and temperature on the mechanical properties of nanocrystalline CoCrFeMnNi high entropy alloy under nanoscratching using molecular dynamics simulation,” J. Alloys Compd. 871, 159516 (2021). https://doi.org/10.1016/j.jallcom.2021.159516CrossRef

21.

J. Cho and C. T. Sun, “A molecular dynamics simulation study of inclusion size effect on polymeric nanocomposites,” Comput. Mater. Sci. 41, 54–62 (2007). https://doi.org/10.1016/j.commatsci.2007.03.001CrossRef

22.

A. Rajput and S. K. Paul, “Effect of soft and hard inclusions in tensile deformation and damage mechanism of Aluminum: A molecular dynamics study,” J. Alloys Compd. 869, 159213 (2021). https://doi.org/10.1016/j.jallcom.2021.159213CrossRef

23.

Yi. Wang, F. Wang, W. Yu, Yu. Wang, and Z. Qi, “Effects of MnS inclusions on mechanical behavior and damage mechanism of free-cutting steel: A molecular dynamics study,” J. Mol. Graphics Modell. 118, 108354 (2022). https://doi.org/10.1016/j.jmgm.2022.108354CrossRef

24.

M. Wang, F. Wang, J. Zhang, H. Wang, Yi. Wang, and H. Wu, “Effects of h-BN additives on tensile mechanical behavior of Fe matrix: A molecular dynamics study,” Comput. Mater. Sci. 223, 112136 (2023). https://doi.org/10.1016/j.commatsci.2023.112136CrossRef

25.

J. B. Jeon, B.-J. Lee, and Yo. W. Chang, “Molecular dynamics simulation study of the effect of grain size on the deformation behavior of nanocrystalline body-centered cubic iron,” Scr. Mater. 64, 494–497 (2011). https://doi.org/10.1016/j.scriptamat.2010.11.019CrossRef

26.

R. Junqiang, Ya. Dan, W. Qi, L. Xuefeng, Z. Xudong, X. Hongtao, T. Fuling, and D. Yutian, “Effect of grain size and twin boundary spacing on plastic deformation of nano-polycrystalline Al alloy by molecular dynamics study,” Rare Met. Mater. Eng. 51, 2436–2445 (2022).

27.

X. Tian, D. Li, Yo. Yu, Z. J. You, T. Li, and L. Ge, “Atomistic simulation study of deformation twinning of nanocrystalline body-centered cubic Mo,” Mater. Sci. Eng., A 690, 277–282 (2017). https://doi.org/10.1016/j.msea.2017.02.105CrossRef

28.

M. I. Mendelev, S. Han, D. J. Srolovitz, G. J. Ackland, D. Y. Sun, and M. Asta, “Development of new interatomic potentials appropriate for crystalline and liquid iron,” Philos. Mag. 83, 3977–3994 (2003). https://doi.org/10.1080/14786430310001613264ADSCrossRef

29.

H. Zhou, D. E. Dickel, M. I. Baskes, S. Mun, and M. Asle Zaeem, “A modified embedded-atom method interatomic potential for bismuth,” Modell. Simul. Mater. Sci. Eng. 29, 065008 (2021). https://doi.org/10.1088/1361-651x/ac095cADSCrossRef

30.

M. I. Baskes, “Modified embedded-atom potentials for cubic materials and impurities,” Phys. Rev. B 46, 2727–2742 (1992). https://doi.org/10.1103/physrevb.46.2727ADSCrossRef

31.

V. P. Filippova, S. A. Kunavin, and M. S. Pugachev, “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. 6, 1–4 (2015). https://doi.org/10.1134/s2075113315010062CrossRef

32.

A. Arkundato, Z. Su’ud, M. Abdullah, and W. Sutrisno, “Molecular dynamic simulation on iron corrosion-reduction in high temperature molten lead-bismuth eutectic,” Turk. J. Phys. 37, 132–144 (2013). https://doi.org/10.3906/fiz-1112-12CrossRef

33.

B. Xue, D. B. Harwood, J. L. Chen, and J. I. Siepmann, “Monte Carlo simulations of fluid phase equilibria and interfacial properties for water/alkane mixtures: An assessment of nonpolarizable water models and of departures from the Lorentz–Berthelot combining rules,” J. Chem. Eng. Data 63, 4256–4268 (2018). https://doi.org/10.1021/acs.jced.8b00757CrossRef

34.

Yu. Wang, F. Wang, W. Yu, Yi. Wang, Z. Qi, and Yi. Wang, “Effects of pressure on volatilisation of pure Bi nanoparticles and Bi–Fe core–shell nanoparticles during continuous heating: a molecular dynamics study,” Mol. Phys. 120 (2022). https://doi.org/10.1080/00268976.2022.2121232

35.

H. Van Swygenhoven, A. Caro, and D. Farkas, “Grain boundary structure and its influence on plastic deformation of polycrystalline FCC metals at the nanoscale: A molecular dynamics study,” Scr. Mater. 44, 1513–1516 (2001). https://doi.org/10.1016/s1359-6462(01)00717-5CrossRef

36.

P. Hirel, “Atomsk: A tool for manipulating and converting atomic data files,” Comput. Phys. Commun. 197, 212–219 (2015). https://doi.org/10.1016/j.cpc.2015.07.012ADSCrossRef

37.

S. Melchionna, G. Ciccotti, and B. Lee Holian, “Hoover NPT dynamics for systems varying in shape and size,” Mol. Phys. 78, 533–544 (1993). https://doi.org/10.1080/00268979300100371ADSCrossRef

38.

B. Frantzdale, S. J. Plimpton, and M. S. Shephard, “Software components for parallel multiscale simulation: an example with LAMMPS,” Eng. Comput. 26, 205–211 (2010). https://doi.org/10.1007/s00366-009-0156-zCrossRef

39.

A. Stukowski, “Visualization and analysis of atomistic simulation data with OVITO–The open visualization tool,” Modell. Simul. Mater. Sci. Eng. 18, 015012 (2010). https://doi.org/10.1088/0965-0393/18/1/015012ADSCrossRef

40.

F. C. Frank, “LXXXIII. Crystal dislocations.—Elementary concepts and definitions,” London, Edinburgh, Dublin Philos. Mag. J. Sci. 42, 809–819 (1951). https://doi.org/10.1080/14786445108561310CrossRef

Titel: Effects of Bi Inclusion on Tensile Mechanical Property and Deformation Mechanism of Nanopolycrystalline Fe: A Molecular Dynamics study
verfasst von: Jingcheng Zhang
Fazhan Wang
Minggang Wang
Hongbo Wang
Zhen Chen
Yixuan Wang
Publikationsdatum: 29.12.2023
Verlag: Pleiades Publishing
Erschienen in: Physics of Metals and Metallography / Ausgabe 13/2023
Print ISSN: 0031-918X
Elektronische ISSN: 1555-6190
DOI: https://doi.org/10.1134/S0031918X23601932

Springer Professional

Abstract

Bitte loggen Sie sich ein, um Zugang zu Ihrer Lizenz zu erhalten.

Sie haben noch keine Lizenz? Dann Informieren Sie sich jetzt über unsere Produkte:

Springer Professional "Wirtschaft+Technik"

Springer Professional "Wirtschaft"

Springer Professional "Technik"

Weitere Artikel der Ausgabe 13/2023

Ti-Alloying Effect on Crystallization Behavior of Zr72.5Al10Fe17.5 Metallic Glass

Evaluating the Spatial and Size Distributions of Flat Precipitates in Diffusion-Controlled Precipitation Processes

An Atomistic Structure of Cementite (M3C, M = Fe, Cr, Mn) in Carbon Steel

Effect of Self-Inoculation Treatment on Microstructure and Mechanical Properties of Eutectic Al–Si Alloy

Microstructure Characteristic and Evolution Mechanism of Cu–Ni–P Alloys under Different Cooling Rate

Microstructural Evolution and Mechanical Behavior of SP-700Ti Alloy during Superplastic Deformation