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Molecular dynamics simulation-based study of creep–ratcheting behavior of nanocrystalline aluminum

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Abstract

In the present study, molecular dynamics simulations have been performed to investigate the creep–ratcheting deformation behavior of nanocrystalline aluminum (NC Al) having an average grain size of ~ 8 nm. The influence of deformation temperature on creep–ratcheting behavior has been studied and associated with underlying mechanisms based on the structural evolution of the material identified. The vacancy concentrations, strains and dislocation densities have been evaluated at the end of each stage of creep–ratcheting process for two ratcheting stress ratios and three different temperatures. In the mean time, the microstructural and defect evolution has been investigated. Accumulation of creep–ratcheting strain is found to increase with the deformation temperature in the range of temperature investigated: 10–467 K. Cyclic hardening dominates in the initial stages of creep–ratcheting, whereas cyclic softening dominates in the final stages at a higher temperature. The creep–ratcheting plots exhibit a primary and steady state regions at room temperature (300 K). In addition, a tertiary region is also perceived at high temperature (467 K). The NC Al specimen is also found to be damaged earlier at a higher temperature (i.e., 467 K) than at 10 K and 300 K. The highest dislocation density is attained for room temperature creep–ratcheting deformation. Finally, it is seen from the dislocation analysis that the Shockley partial and full dislocations are the driving dislocations for the creep–ratcheting deformation process.

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References

  • Ashkenazy Y, Averback RS (2012) Irradiation induced grain boundary flow—a new creep mechanism at the nanoscale. Nano Lett 12:4084–4089

    CAS  Google Scholar 

  • Berendsen HJ, Postma JV, van Gunsteren WF, DiNola ARHJ, Haak JR (1984) Molecular dynamics with coupling to an external path. J Chem Phys 81(8):3684–3690

    CAS  Google Scholar 

  • Carter P (2005) Analysis of cyclic creep and rupture. Part 2: calculation of cyclic reference stresses and ratcheting interaction diagrams. Int J Pres Ves Pip 82:27–33

    Google Scholar 

  • Chen D (1995) Structural modeling of nanocrystalline materials. Comput Mater Sci 3(3):327–333

    CAS  Google Scholar 

  • Chen K, Liu H, Zhang Z, Li S, Todd R (2003) The improvement of constituent dissolution and mechanical properties of 7055 aluminum alloy by stepped heat treatments. J Mater Proc Technol 142(1):190–196

    CAS  Google Scholar 

  • Faken D, Jónsson H (1994) Systematic analysis of local atomic structure combined with 3D computer graphics. Comput Mater Sci 2(2):279–286

    CAS  Google Scholar 

  • Fedorov AA, Gutkin MY, Ovid’ko IA (2002) Triple junction diffusion and plastic flow in fine-grained materials. Scr Mater 47(1):51–55

    CAS  Google Scholar 

  • Gleiter H (2000) Nanostructured materials: basic concepts and microstructure. Acta Mater 48(1):1–29

    CAS  Google Scholar 

  • Honeycutt JD, Andersen HC (1987) Molecular dynamics study of melting and freezing of small Lennard-Jones clusters. J Phys Chem 91(19):4950–4963

    CAS  Google Scholar 

  • Jiang H, Zhang J, Kang G, Xi C, Jiang C, Liu Y (2013) A test procedure for separating viscous recovery and accumulated unrecoverable deformation of polymer under cyclic loading. Polym Test 32(8):1445–1451

    CAS  Google Scholar 

  • Jiao S, Kulkarni Y (2015) Molecular dynamics study of creep mechanisms in nanotwinned metals. Comp Mater Sci 110:254–260

    CAS  Google Scholar 

  • Juslin N, Jansson V, Nordlund K (2010) Simulation of cascades in tungsten-helium. Philos Mag 90(26):3581–3589

    CAS  Google Scholar 

  • Kang G (2008) Ratchetting: recent progresses in phenomenon observation, constitutive modeling and application. Int J Fatigue 30(8):1448–1472

    CAS  Google Scholar 

  • Karvan P, Varvani-Farahani A (2020) Uniaxial ratcheting assessment of 304 stainless steel samples undergoing step-loading conditions at room and elevated temperatures. J Eng Mater Technol 142(3):031003

    Google Scholar 

  • Kelchner CL, Plimpton SJ, Hamilton JC (1998) Dislocation nucleation and defect structure during surface indentation. Phys Rev B 58(17):11085

    CAS  Google Scholar 

  • Koch CC (2003) Optimization of strength and ductility in nanocrystalline and ultrafine grained metals. Scr Mater 49(7):657–662

    CAS  Google Scholar 

  • Kong QP, Cai B, Xiao ML (1997) High temperature creep of two nanocrystalline alloys. Mater Sci Eng A 234:91–93

    Google Scholar 

  • Kreethi R, Verma P, Dutta K (2015) Influence of heat treatment on ratcheting fatigue behavior and post ratcheting tensile properties of commercial aluminum. Trans Indian Inst Metal 68:229–237

    CAS  Google Scholar 

  • Kumar KS, Swygenhoven HV, Suresh S (2003) Mechanical behavior of nanocrystalline metals and alloys. Acta Mater 51:5743–5774

    CAS  Google Scholar 

  • Li J (2003) AtomEye: an efficient atomistic configuration viewer. Model Simul Mater Sci Eng 11(2):173

    Google Scholar 

  • Li C, Jaramillo E, Strachan A (2013) Molecular dynamics simulations on cyclic deformation of an epoxy thermoset. Polymer 54(2):881–890

    CAS  Google Scholar 

  • Li J, Fang Q, Liu Y (2014) Void formation of nanocrystalline materials at the triple junction of grain boundaries. Mater Res Exp 1(1):015013

    Google Scholar 

  • Lin YC, Chen XM, Chen G (2011) Uniaxial ratcheting and low-cycle fatigue failure behaviors of AZ91D magnesium alloy under cyclic tension deformation. J Alloy Compd 509(24):6838–6843

    CAS  Google Scholar 

  • Mendelev MI, Kramer MJ, Becker CA, Asta M (2008) Analysis of semi-empirical interatomic potentials appropriate for simulation of crystalline and liquid Al and Cu. Phil Mag 88(12):1723–1750

    CAS  Google Scholar 

  • Meraj M, Pal S (2016) The effect of temperature on creep behaviour of porous (1 at. %) nano crystalline nickel. Trans Indian Inst Metal 69(2):277–282

    Google Scholar 

  • Meraj M, Yedla N, Pal S (2016a) The effect of porosity- and void on creep behavior of ultra-fine grained nano crystalline nickel. Mater Lett 169:265–268

    CAS  Google Scholar 

  • Meraj M, Yedla N, Pal S (2016b) Role of W on the dislocation evolution in Ni-W alloy during tension followed by compression loading. Metal Mater Int 22(3):373–382

    CAS  Google Scholar 

  • Meyers MA, Mishra A, Benson DJ (2006) Mechanical properties of nanocrystalline materials. Prog Mater Sci 51:427–556

    CAS  Google Scholar 

  • Mohamed FA, Yang H (2010) Deformation mechanisms in nanocrystalline materials. Metall Mater Trans A 41(4):823–837

    Google Scholar 

  • Nie K, Wu WP, Zhang XL, Yang SM (2017) Molecular dynamics study on the grain size, temperature, and stress dependence of creep behavior in nanocrystalline nickel. J Mater Sci 52(4):2180–2191

    CAS  Google Scholar 

  • Nordlund K, Ghaly M, Averback RS, Caturla M, de La Rubia TD, Tarus J (1998) Defect production in collision cascades in elemental semiconductors and fcc Metals. Phys Rev B 57(13):7556

    CAS  Google Scholar 

  • Nosé S (1984) A unified formulation of the constant temperature molecular dynamics methods. J Chem Phys 81(1):511–519

    Google Scholar 

  • Ovid’ko IA (2005) Deformation and diffusion modes in nanocrystalline materials. Int Mater Rev 50:65–82

    CAS  Google Scholar 

  • Ovid’ko IA, Sheinerman AG (2004) Triple junction nanocracks in deformed nanocrystalline materials. Acta Mater 52:1201–1209

    Google Scholar 

  • Pal S, Meraj M (2016) Structural evaluation and deformation features of interface of joint between nanocrystalline Fe–Ni–Cr alloy and nanocrystalline Ni during creep process. Mater Des 108:168–182

    CAS  Google Scholar 

  • Pal S, Mishra S, Meraj M, Mondal AK, Ray BC (2018) On the comparison of interrupted and continuous creep behaviour of nanocrystalline copper: a molecular dynamics approach. Mater Lett 229:256–260

    CAS  Google Scholar 

  • Pal S, Gururaj K, Meraj M, Bharadwaj RG (2019) Molecular dynamics simulation study of uniaxial ratcheting behaviors for ultrafine-grained nanocrystalline nickel. J Mater Eng Perform 28(8):4918–4930

    CAS  Google Scholar 

  • Pal S, Babu PN, Gargeya BSK, Becquart CS (2019) Molecular dynamics simulation based investigation of possible enhancement in strength and ductility of nanocrystalline aluminum by CNT reinforcement. Mater Chem Phys 243:122593

    Google Scholar 

  • Pan SP, Feng SD, Qin JW (2016) Correlation between local structure and dynamic heterogeneity in a metallic glass-forming liquid. J Alloys Compd 664:65–70

    CAS  Google Scholar 

  • Paul SK, Sivaprasad S, Dhar S, Tarafder S (2010) Ratcheting and low cycle fatigue behavior of SA333 steel and their life prediction. J Nucl Mater 401(1–3):17–24

    CAS  Google Scholar 

  • Plimpton S (1995) Fast parallel algorithms for short-range molecular dynamics. J Comput Phys 117:1–19

    CAS  Google Scholar 

  • Reddy KV, Meraj M, Pal S (2017) Mechanistic study of bending creep behaviour of bicrystal nanobeam. Comput Mater Sci 136:36–43

    Google Scholar 

  • Shariatim M, Hatami H, Yarahmadi H, Eipakchi HR (2012) An experimental study on the ratcheting and fatigue behavior of polyacetal under uniaxial cyclic loading. Mater Des 34:302–312

    Google Scholar 

  • Song Y, Ma Y, Zhan K (2020) Simulations of deformation and fracture of graphene reinforced aluminium matrix nanolaminated composites. Mech Mater 142:103283

    Google Scholar 

  • Sreenivasan S, Mishra SK, Dutta K (2017) Ratcheting strain and its effect on low cycle fatigue behavior of Al 7075–T6 alloy. Mater Sci Eng A 698:46–53

    CAS  Google Scholar 

  • Srivatsan TS, Sriram S, Veeraraghavan D, Vasudevan VK (1997) Microstructure, tensile deformation and fracture behaviour of aluminium alloy 7055. J Mater Sci 32(11):2883–2894

    CAS  Google Scholar 

  • Stukowski A (2009) Visualization and analysis of atomistic simulation data with OVITO—the open visualization tool. Modell Simul Mater Sci Eng 18:015012

    Google Scholar 

  • Stukowski A, Bulatov VV, Arsenlis A (2012) Automated identification and indexing of dislocations in crystal interfaces. Modell Simul Mater Sci Eng 20(8):085007

    Google Scholar 

  • Suryanarayana C (1994) Structure and properties of nanocrystalline materials. Bull Mater Sci 17(4):307–346

    CAS  Google Scholar 

  • Suryanarayana C, Koch CC (2000) Nanocrystalline materials—current research and future directions. Hyperfine Interact 130:5–44

    CAS  Google Scholar 

  • Van Petegem S, Brandstetter S, Schmitt B, Van Swygenhoven H (2009) Creep in nanocrystalline Ni during X-ray diffraction. Scr Mater 60(5):297–300

    Google Scholar 

  • Voyiadjis GZ, Deliktas B (2010) Modeling of strengthening and softening in inelastic nanocrystalline materials with reference to the triple junction and grain boundaries using strain gradient plasticity. Acta Mech 213:3–26

    Google Scholar 

  • Wang YJ, Ishii A, Ogata S (2012a) Grain size dependence of creep in nanocrystalline copper by molecular dynamics. Mater Trans 53(1):156–160

    CAS  Google Scholar 

  • Wang YJ, Ishii A, Ogata S (2012b) Grain size dependence of creep in nanocrystalline copper by molecular dynamics. Mater Trans 53:156–160

    CAS  Google Scholar 

  • Wang BB, Xue P, Xiao BL, Wang WG, Liu YD, Ma ZY (2020) Achieving equal fatigue strength to base material in a friction stir welded 5083–H19 aluminium alloy joint. Sci Technol Weld Join 25(1):81–88

    CAS  Google Scholar 

  • Yamakov V, Wolf D, Phillpot SR, Gleiter H (2002a) Grain-boundary diffusion creep in nanocrystalline palladium by molecular-dynamics simulation. Acta Mater 50:61–73

    CAS  Google Scholar 

  • Yamakov V, Wolf D, Phillpot SR, Gleiter H (2002b) Grain-boundary diffusion creep in nanocrystalline palladium by molecular-dynamics simulation. Acta Mater 50:61–73

    CAS  Google Scholar 

  • Yin WM, Whang SH, Mirshams R, Xiao CH (2001) Creep behavior of nanocrystalline nickel at 290 and 373 K. Mat Sci Eng A 301:18–22

    Google Scholar 

  • Yoshida F (1990) Uniaxial and biaxial creep-ratcheting behavior of SUS304 stainless steel at room temperature. Int J Pres Ves Pip 44:207–223

    Google Scholar 

  • Zakavi SJ, Aghaei Y (2020) The ratcheting behavior of carbon steel piping elbows under cyclic bending moment and temperature. J Braz Soc Mech Sci Eng 42(8):1–9

    Google Scholar 

  • Zheng XT, Xuan FZ, Zhao P (2011) Ratcheting-creep interaction of advanced 9–12% chromium ferrite steel with anelastic effect. Int J Fatigue 33:1286–1291

    CAS  Google Scholar 

  • Zheng X, Wen X, Wang W, Gao J, Lin W, Ma L, Yu J (2017) Creep-ratcheting behavior of PTFE gaskets under various temperatures. Polym Test 60:229–235

    CAS  Google Scholar 

Download references

Acknowledgments

The authors thank the National Institute of Technology Rourkela-computer center for providing the HPCF (High-performance computing facility) to be carried out these simulations.

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Authors and Affiliations

  1. Department of Metallurgical and Materials Engineering, National Institute of Technology Rourkela, Rourkela, 769008, India

    Pokula Narendra Babu & Snehanshu Pal

  2. Centre of Nanomaterials, National Institute of Technology Rourkela, Rourkela, 769008, India

    Snehanshu Pal

  3. Univ. Lille, CNRS, INRAE, Centrale Lille, UMR 8207, UMET, Unité Matériaux et Transformations, 59000, Lille, France

    Charlotte S. Becquart

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  1. Pokula Narendra Babu
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All the authors are actively involved in Conceptualization; Data curation; Formal analysis; Investigation; Methodology; Resources; Software; Supervision; Validation; Visualization; Writing—original manuscript draft; Writing—review and editing.

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Correspondence to Snehanshu Pal.

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Babu, P.N., Becquart, C.S. & Pal, S. Molecular dynamics simulation-based study of creep–ratcheting behavior of nanocrystalline aluminum. Appl Nanosci 11, 565–581 (2021). https://doi.org/10.1007/s13204-020-01595-5

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  • DOI: https://doi.org/10.1007/s13204-020-01595-5

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