Abstract
In this paper, molecular dynamics (MD) simulation-based study of deformation behavior of ultrafine-grained nanocrystalline nickel under asymmetric cyclic loading having stress ratios (R) such as − 0.2, − 0.4 and − 0.6 for different temperatures, viz. 100, 300 and 500 K, has been performed using embedded atom method potential. The predicted ratcheting strain by MD simulation for nanocrystalline Ni varies from 15 to 30%. A significant increase in ratcheting strain has been observed with the increase in temperature. It has been observed that the number of vacancies increases, and the number of clusters decreases with the increase in temperature. Slight reduction in crystallinity is identified at the middle of the each loading cycle from the performed cluster analysis. Zigzag pattern of dislocation density has been observed and leads to the decrease in dislocation density with the increase in temperature. Stress ratio does not show any significant effect on the number of vacancies, clusters and dislocation density on structural evolution during the asymmetric cyclic loading. Slight change in the grain rotation has been observed with the increase in temperature, and there is almost no change in the final texture evolved. From the post-tensile tests, ultimate tensile strength that remains same may be due to constant average dislocation density.
Similar content being viewed by others
References
B.S. Murty, P. Shankar, B. Raj, B.B. Rath, and J. Murday, Textbook of Nanoscience and Nanotechnology, Springer, Berlin, 2013
R. Kelsall, I.W. Hamley, and M. Geoghegan, Ed., Nanoscale Science and Technology, Wiley, Hoboken, 2005
H. Gleiter, Nanostructured Materials: Basic Concepts and Microstructure, Acta Mater., 2000, 48(1), p 1–29
S. Pal, M. Meraj, and C. Deng, Effect of Zr Addition on Creep Properties of Ultra-fine Grained Nanocrystalline Ni Studied by Molecular Dynamics Simulations, Comput. Mater. Sci., 2017, 126, p 382–392
H.S. Kim and Y. Estrin, Strength and Strain Hardening of Nanocrystalline Materials, Mater. Sci. Eng. A, 2008, 483, p 127–130
B.T.F. Tang, U. Erb, and I. Brooks, Strain Hardening in Polycrystalline and Nanocrystalline Nickel, Adv. Mater. Res., 2012, 409, p 550–554
K.S. Kumar, S. Suresh, M.F. Chisholm, J.A. Horton, and P. Wang, Deformation of Electrodeposited Nanocrystalline Nickel, Acta Mater., 2013, 51(2), p 387–405
T.J. Rupert, D.S. Gianola, Y. Gan, and K.J. Hemker, Experimental observations of stress-driven grain boundary migration, Science, 2009, 326(5960), p 1686–1690
M. Ke, S.A. Hackney, W.W. Milligan, and E.C. Aifantis, Observation and Measurement of Grain Rotation and Plastic Strain in Nanostructured Metal Thin Films, Nanostruct. Mater., 1995, 5(6), p 689–697
Z. Shan, E.A. Stach, J.M.K. Wiezorek, J.A. Knapp, D.M. Follstaedt, and S.X. Mao, Grain Boundary-Mediated Plasticity in Nanocrystalline Nickel, Science, 2004, 305(5684), p 654–657
H. Van Swygenhoven and P.M. Derlet, Grain-Boundary Sliding in Nanocrystalline fcc Metals, Phys. Rev. B, 2001, 64(22), p 224105
A. Pineau, A.A. Benzerga, and T. Pardoen, Failure of Metals III: Fracture and Fatigue of Nanostructured Metallic Materials, Acta Mater., 2016, 107, p 508–544
K.S. Kumar, H. Van Swygenhoven, and S. Suresh, Mechanical Behavior of Nanocrystalline Metals and Alloys, Acta Mater., 2003, 51(19), p 5743–5774
M. Dao, L. Lu, R.J. Asaro, J.T.M. De Hosson, and E. Ma, Toward a Quantitative Understanding of Mechanical Behavior of Nanocrystalline Metals, Acta Mater., 2007, 55(12), p 4041–4065
K.S. Siow, A.A.O. Tay, and P. Oruganti, Mechanical Properties of Nanocrystalline Copper and Nickel, Mater. Sci. Technol., 2004, 20(3), p 285–294
H. Van Swygenhoven, P.M. Derlet, and A. Hasnaoui, Atomic Mechanism for Dislocation Emission from Nanosized Grain Boundaries, Phys. Rev. B, 2002, 66(2), p 024101
A. Cao and Y. Wei, Atomistic Simulations of Crack Nucleation and Intergranular Fracture in Bulk Nanocrystalline Nickel, Phys. Rev. B, 2007, 76(2), p 024113
T. Hanlon, E.D. Tabachnikova, and S. Suresh, Fatigue Behavior of Nanocrystalline Metals and Alloys, Int. J. Fatigue, 2005, 27(10–12), p 1147–1158
Z. Xia, D. Kujawski, and F. Ellyin, Effect of Mean Stress and Ratcheting Strain on Fatigue Life of Steel, Int. J. Fatigue, 1996, 18(5), p 335–341
S.K. Paul, S. Sivaprasad, S. Dhar, and S. Tarafder, Cyclic Plastic Deformation and Cyclic Hardening/Softening Behavior in 304LN Stainless Steel, Theor. Appl. Fract. Mech., 2010, 54(1), p 63–70
Y. Jiang and H. Sehitoglu, Cyclic Ratcheting of 1070 Steel Under Multiaxial Stress States, Int. J. Plast., 1994, 10(5), p 579–608
T. Hassan and S. Kyriakides, Ratcheting of Cyclically Hardening and Softening Materials: I. Uniaxial Behavior, Int. J. Plast., 1994, 10(2), p 149–184
X. Yang, Low Cycle Fatigue and Cyclic Stress Ratcheting Failure Behavior of Carbon Steel 45 Under Uniaxial Cyclic Loading, Int. J. Fatigue, 2005, 27(9), p 1124–1132
C.B. Lim, K.S. Kim, and J.B. Seong, Ratcheting and Fatigue Behavior of a Copper Alloy Under Uniaxial Cyclic Loading with Mean Stress, Int. J. Fatigue, 2009, 31(3), p 501–507
G. Kang, Y. Liu, J. Ding, and Q. Gao, Uniaxial Ratcheting and Fatigue Failure of Tempered 42CrMo Steel: Damage Evolution and Damage-Coupled Visco-Plastic Constitutive Model, Int. J. Plast., 2009, 25(5), p 838–860
G. Chen, X. Chen, and C.D. Niu, Uniaxial Ratcheting Behavior of 63Sn37Pb Solder with Loading Histories and Stress Rates, Mater. Sci. Eng. A, 2006, 421(1–2), p 238–244
G.Z. Kang, Y.G. Li, J. Zhang, Y.F. Sun, and Q. Gao, Uniaxial Ratcheting and Failure Behaviors of Two Steels, Theor. Appl. Fract. Mech., 2005, 43(2), p 199–209
W.J. Chang and T.H. Fang, Influence of Temperature on Tensile and Fatigue Behavior of Nanoscale Copper Using Molecular Dynamics Simulation, J. Phys. Chem. Solids, 2003, 64(8), p 1279–1283
J.F. Panzarino, J.J. Ramos, and T.J. Rupert, Quantitative Tracking of Grain Structure Evolution in a Nanocrystalline Metal During Cyclic Loading, Model. Simul. Mater. Sci. Eng., 2015, 23(2), p 025005
J. Schiøtz, Strain-Induced Coarsening in Nanocrystalline Metals Under Cyclic Deformation, Mater. Sci. Eng. A, 2004, 375, p 975–979
D. Farkas, M. Willemann, and B. Hyde, Atomistic Mechanisms of Fatigue in Nanocrystalline Metals, Phys. Rev. Lett., 2005, 94(16), p 165502
T.J. Rupert and C.A. Schuh, Mechanically Driven Grain Boundary Relaxation: A Mechanism for Cyclic Hardening in Nanocrystalline Ni, Philos. Mag. Lett., 2012, 92(1), p 20–28
W.J. Chang, Molecular-Dynamics Study of Mechanical Properties of Nanoscale Copper with Vacancies Under Static and Cyclic Loading, Microelectron. Eng., 2003, 65(1–2), p 239–246
B. Moser, T. Hanlon, K.S. Kumar, and S. Suresh, Cyclic Strain Hardening of Nanocrystalline Nickel, Scr. Mater., 2006, 54(6), p 1151–1155
D. Chen, Structural Modeling of Nanocrystalline Materials, Comput. Mater. Sci., 1995, 3(3), p 327–333
J. Li, AtomEye: An Efficient Atomistic Configuration Viewer, Model. Simul. Mater. Sci. Eng., 2003, 11(2), p 173
Z. Shao, N. Li, J. Lin, and T.A. Dean, Strain Measurement and Error Analysis in Thermo-Mechanical Tensile Tests of Sheet Metals for Hot Stamping Applications, Proc. Inst. Mech. Eng. Part C Mech. Eng. Sci., 2018, 232(11), p 1994–2008
H. Bei, S. Shim, G.M. Pharr, and E.P. George, Effects of Pre-strain on the Compressive Stress–Strain Response of Mo-Alloy Single-Crystal Micropillars, Acta Mater., 2008, 56(17), p 4762–4770
X. Yang, Low Cycle Fatigue and Cyclic Stress Ratcheting Failure Behavior of Carbon Steel 45 Under Uniaxial Cyclic Loading, Int. J. Fatigue, 2005, 27(9), p 1124–1132
J. Jabra, M. Romios, J. Lai, E. Lee, M. Setiawan, J.R. Ogren, and N. Abourialy, The Effect of Thermal Exposure on the Mechanical Properties of 2099-T6 Die Forgings, 2099-T83 Extrusions, 7075-T7651 Plate, 7085-T7452 Die Forgings, 7085-T7651 Plate, and 2397-T87 Plate Aluminum Alloys, J. Mater. Eng. Perform., 2006, 15(5), p 601–607
H.J. Berendsen, J.V. Postma, W.F. van Gunsteren, A.R.H.J. DiNola, and J.R. Haak, Molecular Dynamics with Coupling to an External Bath, J. Chem. Phys., 1984, 81(8), p 3684–3690
S. Plimpton, Fast Parallel Algorithms for Short-Range Molecular Dynamics, J. Comput. Phys., 1995, 117(1), p 1–19
M.I. Mendelev, M.J. Kramer, S.G. Hao, K.M. Ho, and C.Z. Wang, Development of Interatomic Potentials Appropriate for Simulation of Liquid and Glass Properties of NiZr2 Alloy, Philos. Mag., 2012, 92(35), p 4454–4469
M. Meraj and S. Pal, Nano-scale Simulation Based Study of Creep Behavior of Bimodal Nanocrystalline Face Centered Cubic Metal, J. Mol. Model., 2017, 23(11), p 309
B. von Blanckenhagen, E. Arzt, and P. Gumbsch, Discrete Dislocation Simulation of Plastic Deformation in Metal Thin Films, Acta Mater., 2004, 52(3), p 773–784
N. Juslin, V. Jansson, and K. Nordlund, Simulation of Cascades in Tungsten-Helium, Philos. Mag., 2010, 90(26), p 3581–3589
K. Nordlund, M. Ghaly, R.S. Averback, M. Caturla, T.D. de La Rubia, and J. Tarus, Defect Production in Collision Cascades in Elemental Semiconductors and fcc Metals, Phys. Rev. B, 1998, 57(13), p 7556
C.L. Kelchner, S.J. Plimpton, and J.C. Hamilton, Dislocation Nucleation and Defect Structure during Surface Indentation, Phys. Rev. B, 1998, 58(17), p 11085
J.C. Zhang, C. Chen, Q.X. Pei, Q. Wan, W.X. Zhang, and Z.D. Sha, Ab Initio Molecular Dynamics Study of the Local Atomic Structures in Monatomic Metallic Liquid and Glass, Mater. Des., 2015, 77, p 1–5
D. Faken and H. Jónsson, Systematic Analysis of Local Atomic Structure Combined with 3D Computer Graphics, Comput. Mater. Sci., 1994, 2(2), p 279–286
A. Stukowski, Visualization and Analysis of Atomistic Simulation Data with OVITO–The Open Visualization Tool, Model. Simul. Mater. Sci. Eng., 2009, 18(1), p 015012
J.F. Panzarino and T.J. Rupert, Tracking Microstructure of Crystalline Materials: A Post-processing Algorithm for Atomistic Simulations, JOM, 2014, 66(3), p 417–428
Z. Budrovic, H. Van Swygenhoven, P.M. Derlet, S. Van Petegem, and B. Schmitt, Plastic Deformation with Reversible Peak Broadening in Nanocrystalline Nickel, Science, 2004, 304(5668), p 273–276
M. Meraj, N. Yedla, and S. Pal, Role of W on the Dislocation Evolution in Ni-W Alloy during Tension Followed by Compression Loading, Met. Mater. Int., 2016, 22(3), p 373–382
F. Panzarino, Quantification of Grain Boundary Mediated Plasticity Mechanisms in Nanocrystalline Metals, Doctoral Dissertation, UC Irvine, 2016.
M.F. Ashby and R.A. Verrall, Diffusion-Accommodated Flow and Superplasticity, Acta Metall., 1973, 21(2), p 149–163
K.E. Harris, V.V. Singh, and A.H. King, Grain Rotation in Thin Films of Gold, Acta Mater., 1998, 46(8), p 2623–2633
M.Y. Gutkin, I.A. Ovidko, and N.V. Skiba, Crossover from Grain Boundary Sliding to Rotational Deformation in Nanocrystalline Materials, Acta Mater., 2003, 51(14), p 4059–4071
Author information
Authors and Affiliations
Corresponding author
Additional information
Publisher's Note
Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.
Electronic supplementary material
Below is the link to the electronic supplementary material.
Rights and permissions
About this article
Cite this article
Pal, S., Gururaj, K., Meraj, M. et al. Molecular Dynamics Simulation Study of Uniaxial Ratcheting Behaviors for Ultrafine-Grained Nanocrystalline Nickel. J. of Materi Eng and Perform 28, 4918–4930 (2019). https://doi.org/10.1007/s11665-019-04256-z
Received:
Revised:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s11665-019-04256-z