Technical Papers
Jul 10, 2020

Atomistic Simulation of Short Crack Growth in Correlation with Fatigue Indicator Parameter

Publication: Journal of Aerospace Engineering
Volume 33, Issue 5

Abstract

Under time-varying extreme dynamic environmental conditions, fatigue damage could gradually accumulate with increased stress cycles at critical details of steel or other metallic structures. As a promising tool, a fatigue indicator parameter (FIP) has been widely used to evaluate the crack initiation and propagation process in a mesoscale model. However, the correlation between the FIP and crack growth rate has not been carefully investigated, especially in the micromechanics level. In the present study, to calculate FIP for nanoscale fatigue crack growth, molecular dynamics simulation is performed. Two cyclic loading regimes are applied to the specimen with a preexisting central crack. In each loading regime, the relationship between the FIP and crack growth rate da/dN is calculated based on the FIP distribution contour plot. In the increasing maximum strain loading regime, cracks propagate linearly with the increase of the numbers of stress cycles, and the FIP distribution is similar to the distribution of the disordered lattice. However, lattices with maximum FIP values are mainly located at the boundary of the disordered lattice due to the dislocation and slip concentration. In the constant maximum strain loading regime, a void forming near the crack tip is observed, and a crack propagates by linking these voids and crack tip. With the increase of loading cycles, the crack growth rate decreases to nearly zero while the maximum FIP decreases slowly, implying a lagging effect in this process. The atomistic simulations in both loading regimes demonstrate a linear correlation between the FIP value and the crack growth rate da/dN.

Get full access to this article

View all available purchase options and get full access to this article.

Data Availability Statement

Some or all data, models, or code that support the findings of this study are available from the corresponding author upon reasonable request.

Acknowledgments

This material is based on work supported by the National Science Foundation (NSF Grant CMMI-1537121) and the Research Excellence Program (REP) from the Office of the Vice President for Research (OVPR) of the University of Connecticut. These supports are greatly appreciated. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the sponsors.

References

Anderson, T. L. 2012. Fracture mechanics: Fundamentals and applications. Boca Raton, FL: CRC Press.
Asaro, R. J. 1983. “Crystal plasticity.” J. Appl. Mech. 50 (4b): 921–934. https://doi.org/10.1115/1.3167205.
Asaro, R. J., and A. Needleman. 1985. “Texture development and strain hardening in rate dependent polycrystals.” Acta Metall. 33 (6): 923–953. https://doi.org/10.1016/0001-6160(85)90188-9.
Bennett, V. P., and D. L. McDowell. 2003. “Crack tip displacement of microstructurally small surface cracks in single phase ductile polycrystals.” Eng. Fract. Mech. 70 (2): 185–207. https://doi.org/10.1016/S0013-7944(02)00033-4.
Castelluccio, G. M., and D. L. McDowell. 2012. “Assessment of small fatigue crack growth driving forces in single crystals with and without slip bands.” Int. J. Fract. 176 (1): 49–64. https://doi.org/10.1007/s10704-012-9726-y.
Castelluccio, G. M., and D. L. McDowell. 2014a. “A mesoscale approach for growth of 3D microstructurally small fatigue cracks in polycrystals.” Int. J. Damage Mech. 23 (6): 791–818. https://doi.org/10.1177/1056789513513916.
Castelluccio, G. M., and D. L. McDowell. 2014b. “Mesoscale modeling of microstructurally small fatigue cracks in metallic polycrystals.” Mater. Sci. Eng., A 598 (Mar): 34–55. https://doi.org/10.1016/j.msea.2014.01.015.
Ellyin, F. 1996. Fatigue damage, crack growth and life prediction. New York: Springer.
Faken, D., and H. Jónsson. 1994. “Systematic analysis of local atomic structure combined with 3D computer graphics.” Comput. Mater. Sci. 2 (2): 279–286. https://doi.org/10.1016/0927-0256(94)90109-0.
Falk, M. L., and J. S. Langer. 1998. “Dynamics of viscoplastic deformation in amorphous solids.” Phys. Rev. E 57 (6): 7192–7205. https://doi.org/10.1103/PhysRevE.57.7192.
Fatemi, A., and D. F. Socie. 1988. “A critical plane approach to multiaxial fatigue damage including out-of-phase loading.” Fatigue Fract. Eng. Mater. Struct. 11 (3): 149–165. https://doi.org/10.1111/j.1460-2695.1988.tb01169.x.
Fatemi, A., and L. Yang. 1998. “Cumulative fatigue damage and life prediction theories: A survey of the state of the art for homogeneous materials.” Int. J. Fatigue 20 (1): 9–34. https://doi.org/10.1016/S0142-1123(97)00081-9.
Ghosh, S., and P. Chakraborty. 2013. “Microstructure and load sensitive fatigue crack nucleation in Ti-6242 using accelerated crystal plasticity FEM simulations.” Int. J. Fatigue 48 (C): 231–246. https://doi.org/10.1016/j.ijfatigue.2012.10.022.
Gullett, P. M., M. F. Horstemeyer, M. I. Baskes, and H. Fang. 2008. “A deformation gradient tensor and strain tensors for atomistic simulations.” Modell. Simul. Mater. Sci. Eng. 16 (1): 015001. https://doi.org/10.1088/0965-0393/16/1/015001.
Honeycutt, J. D., and H. C. Andersen. 1987. “Molecular dynamics study of melting and freezing of small Lennard-Jones clusters.” J. Phys. Chem. 91 (19): 4950–4963. https://doi.org/10.1021/j100303a014.
Jung, S. P., Y. Kwon, C. S. Lee, and B. J. Lee. 2018. “Influence of hydrogen on the grain boundary crack propagation in BCC iron: A molecular dynamics simulation.” Comput. Mater. Sci. 149 (Jun): 424–434. https://doi.org/10.1016/j.commatsci.2018.03.053.
Kelchner, C. L., and S. Plimpton. 1998. “Dislocation nucleation and defect structure during surface indentation.” Phys. Rev. B: Condens. Matter Mater. Phys. 58 (17): 11085–11088. https://doi.org/10.1103/PhysRevB.58.11085.
Ma, L., S. Xiao, H. Deng, and W. Hu. 2014. “Molecular dynamics simulation of fatigue crack propagation in BCC iron under cyclic loading.” Int. J. Fatigue 68 (Nov): 253–259. https://doi.org/10.1016/j.ijfatigue.2014.04.010.
Machová, A., J. Pokluda, A. Uhnáková, and P. Hora. 2014. “3D atomistic studies of fatigue behaviour of edge crack (0 0 1) in BCC iron loaded in mode I and II.” Int. J. Fatigue 66 (Sep): 11–19. https://doi.org/10.1016/j.ijfatigue.2014.03.001.
McDowell, D. L., and F. P. E. Dunne. 2010. “Microstructure-sensitive computational modeling of fatigue crack formation.” Int. J. Fatigue 32 (9): 1521–1542. https://doi.org/10.1016/j.ijfatigue.2010.01.003.
Miah, M. S., E. N. Chatzi, V. K. Dertimanis, and F. Weber. 2017. “Real-time experimental validation of a novel semi-active control scheme for vibration mitigation.” Struct. Control Health Monit. 24 (3): e1878. https://doi.org/10.1002/stc.1878.
Murakami, Y., Y. Fukushima, K. Toyama, and S. Matsuoka. 2008. “Fatigue crack path and threshold in mode II and mode III loadings.” Eng. Fract. Mech. 75 (3–4): 306–318. https://doi.org/10.1016/j.engfracmech.2007.01.030.
Narayanan, S., D. L. McDowell, and T. Zhu. 2014. “Crystal plasticity model for BCC iron atomistically informed by kinetics of correlated kinkpair nucleation on screw dislocation.” J. Mech. Phys. Solids 65 (1): 54–68. https://doi.org/10.1016/j.jmps.2014.01.004.
Pineau, A., D. L. McDowell, E. P. Busso, and S. D. Antolovich. 2016. “Failure of metals II: Fatigue.” Acta Mater. 107 (Apr): 484–507. https://doi.org/10.1016/j.actamat.2015.05.050.
Plimpton, S. 1995. “Fast parallel algorithms for short-range molecular dynamics.” J. Comput. Phys. 117 (1): 1–19. https://doi.org/10.1006/jcph.1995.1039.
Prahl, J., A. Machová, A. Spielmannová, M. Karlík, M. Landa, P. Haušild, and P. Lejček. 2010. “Ductile–brittle behavior at the (1 1 0)[0 0 1] crack in BCC iron crystals loaded in mode I.” Eng. Fract. Mech. 77 (2): 184–192. https://doi.org/10.1016/j.engfracmech.2009.02.011.
Proville, L., D. Rodney, and M. C. Marinica. 2012. “Quantum effect on thermally activated glide of dislocations.” Nat. Mater. 11 (10): 845–849. https://doi.org/10.1038/nmat3401.
Sangid, M. D. 2013. “The physics of fatigue crack initiation.” Int. J. Fatigue 57 (Dec): 58–72. https://doi.org/10.1016/j.ijfatigue.2012.10.009.
Sangid, M. D., H. J. Maier, and H. Sehitoglu. 2011. “A physically based fatigue model for prediction of crack initiation from persistent slip bands in polycrystals.” Acta Mater. 59 (1): 328–341. https://doi.org/10.1016/j.actamat.2010.09.036.
Shenoy, M., J. Zhang, and D. L. McDowell. 2007. “Estimating fatigue sensitivity to polycrystalline Ni-base superalloy microstructures using a computational approach.” Fatigue Fract. Eng. Mater. Struct. 30 (10): 889–904. https://doi.org/10.1111/j.1460-2695.2007.01159.x.
Shimizu, F., S. Ogata, and J. Li. 2007. “Theory of shear banding in metallic glasses and molecular dynamics calculations.” Mater. Trans. 48 (11): 2923–2927. https://doi.org/10.2320/matertrans.MJ200769.
Shyam, A., and W. W. Milligan. 2005. “A model for slip irreversibility, and its effect on the fatigue crack propagation threshold in a nickel-base superalloy.” Acta Mater. 53 (3): 835–844. https://doi.org/10.1016/j.actamat.2004.10.036.
Simonovski, I., and L. Cizelj. 2007. “The influence of grains’ crystallographic orientations on advancing short crack.” Int. J. Fatigue 29 (9–11): 2005–2014. https://doi.org/10.1016/j.ijfatigue.2007.01.030.
Simonovski, I., K. F. Nilsson, and L. Cizelj. 2007. “The influence of crystallographic orientation on crack tip displacements of microstructurally small, kinked crack crossing the grain boundary.” Comput. Mater. Sci. 39 (4): 817–828. https://doi.org/10.1016/j.commatsci.2006.10.005.
Sinha, S., and S. Ghosh. 2006. “Modeling cyclic ratcheting based fatigue life of HSLA steels using crystal plasticity FEM simulations and experiments.” Int. J. Fatigue 28 (12): 1690–1704. https://doi.org/10.1016/j.ijfatigue.2006.01.008.
Spielmannová, A., M. Landa, A. Machová, P. Haušild, and P. Lejček. 2007. “Influence of crack orientation on the ductile–brittle behavior in Fe–3 wt.% Si single crystals.” Mater. Charact. 58 (10): 892–900. https://doi.org/10.1016/j.matchar.2006.09.001.
Stephens, R. I., A. Fatemi, R. R. Stephens, and H. O. Fuchs. 2001. Metal fatigue in engineering. New York: Wiley.
Stukowski, A. 2010. “Visualization and analysis of atomistic simulation data with OVITO—The open visualization tool.” Modell. Simul. Mater. Sci. Eng. 18 (1): 015012. https://doi.org/10.1088/0965-0393/18/1/015012.
Stukowski, A., and A. Arsenlis. 2012. “On the elasticplastic decomposition of crystal deformation at the atomic scale.” Modell. Simul. Mater. Sci. Eng. 20 (3): 035012. https://doi.org/10.1088/0965-0393/20/3/035012.
Subramaniyan, A. K., and C. T. Sun. 2008. “Continuum interpretation of virial stress in molecular simulations.” Int. J. Solids Struct. 45 (14–15): 4340–4346. https://doi.org/10.1016/j.ijsolstr.2008.03.016.
Sugeta, A., Y. Uematsu, A. Hashimoto, and M. Jono. 2004. “Atomic force microscopy of fatigue crack growth behavior in the low K region.” Int. J. Fatigue 26 (11): 1159–1168. https://doi.org/10.1016/j.ijfatigue.2004.04.001.
Swenson, R. J. 1983. “Comments on virial theorems for bounded systems.” Am. J. Phys. 51 (10): 940–942. https://doi.org/10.1119/1.13390.
Wang, Y.-R., and T.-H. Kuo. 2016. “Effects of a dynamic vibration absorber on nonlinear hinged-free beam.” J. Eng. Mech. 142 (4): 04016003. https://doi.org/10.1061/(ASCE)EM.1943-7889.0001039.
Wu, W. P., Y. L. Li, and X. Y. Sun. 2015. “Molecular dynamics simulation-based cohesive zone representation of fatigue crack growth in a single crystal nickel.” Comput. Mater. Sci. 109 (Nov): 66–75. https://doi.org/10.1016/j.commatsci.2015.07.017.
Xu, T., R. Stewart, J. Fan, X. Zeng, and A. Yao. 2016. “Bridging crack propagation at the atomistic and mesoscopic scale for BCC-Fe with hybrid multiscale methods.” Eng. Fract. Mech. 155 (Apr): 166–182. https://doi.org/10.1016/j.engfracmech.2015.12.015.
Yuan, H., W. Zhang, G. M. Castelluccio, J. Kim, and Y. Liu. 2018. “Microstructure-sensitive estimation of small fatigue crack growth in bridge steel welds.” Int. J. Fatigue 112 (Dec): 183–197. https://doi.org/10.1016/j.ijfatigue.2018.03.015.
Yuan, H., W. Zhang, J. Kim, and Y. Liu. 2017. “A nonlinear grain-based fatigue damage model for civil infrastructure under variable amplitude loads.” Int. J. Fatigue 104 (Nov): 389–396. https://doi.org/10.1016/j.ijfatigue.2017.07.026.
Zárate, B. A., J. M. Caicedo, J. Yu, and P. Ziehl. 2012. “Probabilistic prognosis of fatigue crack growth using acoustic emission data.” J. Eng. Mech. 138 (9): 1101–1111. https://doi.org/10.1061/(ASCE)EM.1943-7889.0000414.
Zhao, Z., and F. Chu. 2018. “Molecular dynamics simulation of crack initiation and propagation in BCC iron under load within spur gear tooth root.” Fatigue Fract. Eng. Mater. Struct. 41 (2): 323–335. https://doi.org/10.1111/ffe.12681.

Information & Authors

Information

Published In

Go to Journal of Aerospace Engineering
Journal of Aerospace Engineering
Volume 33Issue 5September 2020

History

Received: Mar 29, 2019
Accepted: May 19, 2020
Published online: Jul 10, 2020
Published in print: Sep 1, 2020
Discussion open until: Dec 10, 2020

Permissions

Request permissions for this article.

Authors

Affiliations

Dongping Zhu, S.M.ASCE
Graduate Student, Dept. of Civil and Environmental Engineering, Univ. of Connecticut, Storrs, CT 06269.
Assistant Professor, Dept. of Civil and Environmental Engineering, Univ. of Connecticut, Storrs, CT 06269 (corresponding author). ORCID: https://orcid.org/0000-0001-8364-9953. Email: [email protected]
Zhixia Ding, S.M.ASCE
Graduate Student, Dept. of Civil and Environmental Engineering, Univ. of Connecticut, Storrs, CT 06269.

Metrics & Citations

Metrics

Citations

Download citation

If you have the appropriate software installed, you can download article citation data to the citation manager of your choice. Simply select your manager software from the list below and click Download.

Cited by

View Options

Get Access

Access content

Please select your options to get access

Log in/Register Log in via your institution (Shibboleth)
ASCE Members: Please log in to see member pricing

Purchase

Save for later Information on ASCE Library Cards
ASCE Library Cards let you download journal articles, proceedings papers, and available book chapters across the entire ASCE Library platform. ASCE Library Cards remain active for 24 months or until all downloads are used. Note: This content will be debited as one download at time of checkout.

Terms of Use: ASCE Library Cards are for individual, personal use only. Reselling, republishing, or forwarding the materials to libraries or reading rooms is prohibited.
ASCE Library Card (5 downloads)
$105.00
Add to cart
ASCE Library Card (20 downloads)
$280.00
Add to cart
Buy Single Article
$35.00
Add to cart

Get Access

Access content

Please select your options to get access

Log in/Register Log in via your institution (Shibboleth)
ASCE Members: Please log in to see member pricing

Purchase

Save for later Information on ASCE Library Cards
ASCE Library Cards let you download journal articles, proceedings papers, and available book chapters across the entire ASCE Library platform. ASCE Library Cards remain active for 24 months or until all downloads are used. Note: This content will be debited as one download at time of checkout.

Terms of Use: ASCE Library Cards are for individual, personal use only. Reselling, republishing, or forwarding the materials to libraries or reading rooms is prohibited.
ASCE Library Card (5 downloads)
$105.00
Add to cart
ASCE Library Card (20 downloads)
$280.00
Add to cart
Buy Single Article
$35.00
Add to cart

Media

Figures

Other

Tables

Share

Share

Copy the content Link

Share with email

Email a colleague

Share