Challenges to model the role of heterogeneities on the shock response and spall failure of metallic materials at the mesoscales
Abstract
The predictive modeling of the experimentally researched behavior of metallic materials under shock loading conditions (wave structures, spall strengths) is a critical challenge towards the design of next-generation structural materials. This concern is due to the lack of computational methods that can predict microstructural evolution at the mesoscales under dynamic loading conditions. While classical molecular dynamics simulations have been able to provide atomic-scale insights in the defect and damage nucleation/evolution mechanisms, the capability to have a direct comparison with experimental data at the same time and length scales is still a challenge. The current computational approaches require that several approximations be made either for the loading conditions or for the micromechanisms related to defect evolution and interaction at the mesoscales. This viewpoint discusses the insights obtained from molecular dynamics simulations of shock deformation and spall failure of heterogeneous metallic microstructures. An example Al-Ni microstructure is used to identify the critical atomic-scale phenomena that need to be addressed by the mesoscale methods when considering shock deformation and failure (spallation) at the mesoscales.
- Publication Date:
- Research Org.:
- Univ. of Connecticut, Storrs, CT (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1631116
- Grant/Contract Number:
- NA0003857
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Materials Science
- Additional Journal Information:
- Journal Volume: 55; Journal Issue: 8; Journal ID: ISSN 0022-2461
- Publisher:
- Springer
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; Shock deformation; spall; molecular dynamics; mesoscale
Citation Formats
Dongare, Avinash M. Challenges to model the role of heterogeneities on the shock response and spall failure of metallic materials at the mesoscales. United States: N. p., 2019.
Web. doi:10.1007/s10853-019-04260-7.
Dongare, Avinash M. Challenges to model the role of heterogeneities on the shock response and spall failure of metallic materials at the mesoscales. United States. https://doi.org/10.1007/s10853-019-04260-7
Dongare, Avinash M. Thu .
"Challenges to model the role of heterogeneities on the shock response and spall failure of metallic materials at the mesoscales". United States. https://doi.org/10.1007/s10853-019-04260-7. https://www.osti.gov/servlets/purl/1631116.
@article{osti_1631116,
title = {Challenges to model the role of heterogeneities on the shock response and spall failure of metallic materials at the mesoscales},
author = {Dongare, Avinash M.},
abstractNote = {The predictive modeling of the experimentally researched behavior of metallic materials under shock loading conditions (wave structures, spall strengths) is a critical challenge towards the design of next-generation structural materials. This concern is due to the lack of computational methods that can predict microstructural evolution at the mesoscales under dynamic loading conditions. While classical molecular dynamics simulations have been able to provide atomic-scale insights in the defect and damage nucleation/evolution mechanisms, the capability to have a direct comparison with experimental data at the same time and length scales is still a challenge. The current computational approaches require that several approximations be made either for the loading conditions or for the micromechanisms related to defect evolution and interaction at the mesoscales. This viewpoint discusses the insights obtained from molecular dynamics simulations of shock deformation and spall failure of heterogeneous metallic microstructures. An example Al-Ni microstructure is used to identify the critical atomic-scale phenomena that need to be addressed by the mesoscale methods when considering shock deformation and failure (spallation) at the mesoscales.},
doi = {10.1007/s10853-019-04260-7},
journal = {Journal of Materials Science},
number = 8,
volume = 55,
place = {United States},
year = {Thu Dec 05 00:00:00 EST 2019},
month = {Thu Dec 05 00:00:00 EST 2019}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 12 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
A perspective on trends in multiscale plasticity
journal, September 2010
- McDowell, David L.
- International Journal of Plasticity, Vol. 26, Issue 9
Development of an interatomic potential for the Ni-Al system
journal, December 2009
- Purja Pun, G. P.; Mishin, Y.
- Philosophical Magazine, Vol. 89, Issue 34-36
Twinning and Dislocation Evolution during Shock Compression and Release of Single Crystals: Real-Time X-Ray Diffraction
journal, June 2018
- Turneaure, Stefan J.; Renganathan, P.; Winey, J. M.
- Physical Review Letters, Vol. 120, Issue 26
Emergence of stable interfaces under extreme plastic deformation
journal, March 2014
- Beyerlein, I. J.; Mayeur, J. R.; Zheng, S.
- Proceedings of the National Academy of Sciences, Vol. 111, Issue 12
Femtosecond X-Ray Diffraction Studies of the Reversal of the Microstructural Effects of Plastic Deformation during Shock Release of Tantalum
journal, June 2018
- Sliwa, M.; McGonegle, D.; Wehrenberg, C.
- Physical Review Letters, Vol. 120, Issue 26
The α→ϵ phase transition in iron at strain rates up to ∼10 9 s −1
journal, March 2014
- Crowhurst, Jonathan C.; Reed, Bryan W.; Armstrong, Michael R.
- Journal of Applied Physics, Vol. 115, Issue 11
Modeling dynamic plasticity and spall fracture in high density polycrystalline alloys
journal, August 2005
- Clayton, J. D.
- International Journal of Solids and Structures, Vol. 42, Issue 16-17
Deformation and failure in extreme regimes by high-energy pulsed lasers: A review
journal, March 2017
- Remington, Tane P.; Remington, Bruce A.; Hahn, Eric N.
- Materials Science and Engineering: A, Vol. 688
Materials science under extreme conditions of pressure and strain rate
journal, September 2004
- Remington, B. A.; Bazan, G.; Belak, J.
- Metallurgical and Materials Transactions A, Vol. 35, Issue 9
Void growth by dislocation emission
journal, April 2004
- Lubarda, V. A.; Schneider, M. S.; Kalantar, D. H.
- Acta Materialia, Vol. 52, Issue 6
The Quasi-Coarse-Grained Dynamics Method to Unravel the Mesoscale Evolution of Defects/Damage during Shock Loading and Spall Failure of Polycrystalline Al Microstructures
journal, September 2017
- Agarwal, Garvit; Valisetty, Ramakrishna R.; Namburu, Raju R.
- Scientific Reports, Vol. 7, Issue 1
An angular-dependent embedded atom method (A-EAM) interatomic potential to model thermodynamic and mechanical behavior of Al/Si composite materials
journal, February 2012
- Dongare, Avinash M.; LaMattina, Bruce; Irving, Douglas L.
- Modelling and Simulation in Materials Science and Engineering, Vol. 20, Issue 3
Simulation of shock wave propagation in single crystal and polycrystalline aluminum
journal, September 2014
- Lloyd, J. T.; Clayton, J. D.; Becker, R.
- International Journal of Plasticity, Vol. 60
Shock wave propagation and spall failure in single crystal Mg at atomic scales
journal, April 2016
- Agarwal, Garvit; Dongare, Avinash M.
- Journal of Applied Physics, Vol. 119, Issue 14
Heterogeneous deformation and spall of an extruded tungsten alloy: plate impact experiments and crystal plasticity modeling
journal, February 2008
- Vogler, T.; Clayton, J.
- Journal of the Mechanics and Physics of Solids, Vol. 56, Issue 2
High strain-rate plastic flow in Al and Fe
journal, December 2011
- Smith, R. F.; Eggert, J. H.; Rudd, R. E.
- Journal of Applied Physics, Vol. 110, Issue 12
Correlations between dislocation density evolution and spall strengths of Cu/Ta multilayered systems at the atomic scales: The role of spacing of KS interfaces
journal, March 2019
- Chen, J.; Mathaudhu, S. N.; Thadhani, N.
- Materialia, Vol. 5
Microstructural effects on damage evolution in shocked copper polycrystals
journal, September 2016
- Lieberman, Evan J.; Lebensohn, Ricardo A.; Menasche, David B.
- Acta Materialia, Vol. 116
The formation and characterization of large twin related domains
journal, May 2017
- Bober, David B.; Lind, Jonathan; Mulay, Rupalee P.
- Acta Materialia, Vol. 129
High-pressure torsion-induced phase transformations and grain refinement in Al/Ti composites
journal, July 2017
- Sun, Y.; Aindow, M.; Hebert, R. J.
- Journal of Materials Science, Vol. 52, Issue 20
Quasi-coarse-grained dynamics: modelling of metallic materials at mesoscales
journal, October 2014
- Dongare, Avinash M.
- Philosophical Magazine, Vol. 94, Issue 34
Spall fracture properties of aluminum and magnesium at high temperatures
journal, June 1996
- Kanel, G. I.; Razorenov, S. V.; Bogatch, A.
- Journal of Applied Physics, Vol. 79, Issue 11
Role of nanoscale Cu/Ta interfaces on the shock compression and spall failure of nanocrystalline Cu/Ta systems at the atomic scales
journal, December 2017
- Chen, Jie; Tschopp, Mark A.; Dongare, Avinash M.
- Journal of Materials Science, Vol. 53, Issue 8
The shock-induced chemical reaction behaviour of Al/Ni composites by cold rolling and powder compaction
journal, January 2019
- Xiong, Wei; Zhang, Xianfeng; Zheng, Li
- Journal of Materials Science, Vol. 54, Issue 8
Layer size effect on the shock compression behavior of fcc–bcc nanolaminates
journal, October 2014
- Zhang, R. F.; Germann, T. C.; Liu, X. -Y.
- Acta Materialia, Vol. 79
Probing the limits of metal plasticity with molecular dynamics simulations
journal, September 2017
- Zepeda-Ruiz, Luis A.; Stukowski, Alexander; Oppelstrup, Tomas
- Nature, Vol. 550, Issue 7677
Climb and glide of a /3〈111〉 dislocations in an aluminium Σ = 3 boundary
journal, March 1997
- Medlin, D. L.; Carter, C. B.; Angelo, J. E.
- Philosophical Magazine A, Vol. 75, Issue 3
Time-dependence of the alpha to epsilon phase transformation in iron
journal, December 2013
- Smith, R. F.; Eggert, J. H.; Swift, D. C.
- Journal of Applied Physics, Vol. 114, Issue 22
The effect of temperature on the elastic precursor decay in shock loaded FCC aluminium and BCC iron
journal, September 2017
- Gurrutxaga-Lerma, B.; Shehadeh, M. A.; Balint, D. S.
- International Journal of Plasticity, Vol. 96
Topology-generating interfacial pattern formation during liquid metal dealloying
journal, November 2015
- Geslin, Pierre-Antoine; McCue, Ian; Gaskey, Bernard
- Nature Communications, Vol. 6, Issue 1
In situ dynamic compression wave behavior in additively manufactured lattice materials
journal, October 2018
- Lind, Jonathan; Jensen, Brian J.; Barham, Matthew
- Journal of Materials Research, Vol. 34, Issue 1
Measurement of Body-Centered Cubic Gold and Melting under Shock Compression
journal, July 2019
- Briggs, R.; Coppari, F.; Gorman, M. G.
- Physical Review Letters, Vol. 123, Issue 4
Dynamic evolution of microstructure during laser shock loading and spall failure of single crystal Al at the atomic scales
journal, November 2018
- Galitskiy, Sergey; Ivanov, Dmitry S.; Dongare, Avinash M.
- Journal of Applied Physics, Vol. 124, Issue 20
Deformation and failure of shocked bulk Cu–Nb nanolaminates
journal, January 2014
- Han, W. Z.; Cerreta, E. K.; Mara, N. A.
- Acta Materialia, Vol. 63
Dynamic Behavior of Engineered Lattice Materials
journal, June 2016
- Hawreliak, J. A.; Lind, J.; Maddox, B.
- Scientific Reports, Vol. 6, Issue 1
Nucleation of fcc Ta when heating thin films
journal, February 2015
- Janish, Matthew T.; Mook, William M.; Carter, C. Barry
- Scripta Materialia, Vol. 96
Mechanical response of a bicontinuous copper–molybdenum nano-composite: Experiments and simulations
journal, October 2019
- Beets, Nathan; Cui, Yuchi; Farkas, Diana
- Acta Materialia, Vol. 178
Quantitative In Situ Studies of Dynamic Fracture in Brittle Solids Using Dynamic X-ray Phase Contrast Imaging
journal, September 2018
- Leong, A. F. T.; Robinson, A. K.; Fezzaa, K.
- Experimental Mechanics, Vol. 58, Issue 9
Spall strength dependence on grain size and strain rate in tantalum
journal, October 2018
- Remington, T. P.; Hahn, E. N.; Zhao, S.
- Acta Materialia, Vol. 158
Direct measurements of the α-ϵ transition stress and kinetics for shocked iron
journal, May 2009
- Jensen, B. J.; Gray, G. T.; Hixson, R. S.
- Journal of Applied Physics, Vol. 105, Issue 10
Mechanical Behavior of Materials
journal, May 1967
- McClintock, Frank A.; Argon, Ali S.; Otte, H. M.
- Physics Today, Vol. 20, Issue 5
The effect of temperature on the elastic precursor decay in shock loaded FCC aluminium and BCC iron
text, January 2017
- Gurrutxaga-Lerma, B.; Shehadeh, Ma; Balint, Ds
- Apollo - University of Cambridge Repository
Shock wave propagation and spall failure of nanocrystalline Cu/Ta alloys: Effect of Ta in solid-solution
journal, December 2017
- Chen, Jie; Tschopp, Mark A.; Dongare, Avinash M.
- Journal of Applied Physics, Vol. 122, Issue 22
Defect and damage evolution during spallation of single crystal Al: Comparison between molecular dynamics and quasi-coarse-grained dynamics simulations
journal, April 2018
- Agarwal, Garvit; Dongare, Avinash M.
- Computational Materials Science, Vol. 145
Texture control during laser deposition of nickel-based superalloy
journal, September 2012
- Dinda, G. P.; Dasgupta, A. K.; Mazumder, J.
- Scripta Materialia, Vol. 67, Issue 5
Quasi-static and dynamic response of explosively consolidated metal–aluminum powder mixtures
journal, February 2012
- Wei, C. T.; Vitali, E.; Jiang, F.
- Acta Materialia, Vol. 60, Issue 3
Large elastic wave amplitude and attenuation in shocked pure aluminum
journal, February 2009
- Gupta, Y. M.; Winey, J. M.; Trivedi, P. B.
- Journal of Applied Physics, Vol. 105, Issue 3
Observations of fcc and hcp tantalum
journal, March 2015
- Janish, Matthew T.; Kotula, Paul G.; Boyce, Brad L.
- Journal of Materials Science, Vol. 50, Issue 10
Angular-dependent interatomic potential for the Cu–Ta system and its application to structural stability of nano-crystalline alloys
journal, November 2015
- Purja Pun, G. P.; Darling, K. A.; Kecskes, L. J.
- Acta Materialia, Vol. 100
Dynamic observation of the fcc to 9r shear transformation in a copper ∑ = 3 incoherent twin boundary
journal, October 1996
- Campbell, Geoffrey H.; Chan, David K.; Medlin, Douglas L.
- Scripta Materialia, Vol. 35, Issue 7
Coupled nonlinear elasticity, plastic slip, twinning, and phase transformation in single crystal titanium for plate impact loading
journal, June 2019
- Feng, B.; Bronkhorst, C. A.; Addessio, F. L.
- Journal of the Mechanics and Physics of Solids, Vol. 127
Atomic Scale Studies of Spall Behavior in Single Crystal Cu
journal, January 2011
- Dongare, Avinash M.; LaMattina, Bruce; Rajendran, Arunachalam M.
- Procedia Engineering, Vol. 10
Mesoscale models of interface mechanics in crystalline solids: a review
journal, October 2017
- Clayton, J. D.
- Journal of Materials Science, Vol. 53, Issue 8
On the ultimate tensile strength of tantalum
journal, March 2017
- Hahn, Eric N.; Germann, Timothy C.; Ravelo, Ramon
- Acta Materialia, Vol. 126
Effects of crystal plasticity on materials loaded at high pressures and strain rates
journal, November 2004
- Becker, R.
- International Journal of Plasticity, Vol. 20, Issue 11
The spall strength of condensed matter
journal, January 1988
- Grady, D. E.
- Journal of the Mechanics and Physics of Solids, Vol. 36, Issue 3
Elastic wave amplitudes in shock-compressed thin polycrystalline aluminum samples
journal, October 2009
- Winey, J. M.; LaLone, B. M.; Trivedi, P. B.
- Journal of Applied Physics, Vol. 106, Issue 7
Modeling the thermodynamic behavior and shock response of Ti systems at the atomic scales and the mesoscales
journal, June 2017
- Agarwal, Garvit; Dongare, Avinash M.
- Journal of Materials Science, Vol. 52, Issue 18