Spatial description of dislocation nucleation in the shock response of single-crystal aluminum

Archer, Andre; Campbell, Kaitlyn; Spearot, Douglas E.

doi:10.1063/5.0239019

Title: Spatial description of dislocation nucleation in the shock response of single-crystal aluminum

Journal Article · 25 February 2025 · Journal of Applied Physics

DOI: https://doi.org/10.1063/5.0239019 · OSTI ID:2524582

^[1];

^[2];

^[2]

University of Florida, Gainesville, FL (United States); University of Florida
University of Florida, Gainesville, FL (United States)

Nonequilibrium molecular dynamics simulations of shock loaded single-crystal Al in the $$\langle$$100$$\rangle$$, $$\langle$$110$$\rangle$$, $$\langle$$111$$\rangle$$, and $$\langle$$123$$\rangle$$ orientations are conducted to study elastic and plastic shockwave formation and details associated with dislocation activity. A computer vision-based approach is implemented to capture the presence of dislocations and describe their spatial characteristics in the zone of nucleation behind the propagating shockwave. The methodology developed relies on the sequences of images extracted during shock loading that show dislocation activity within a cross section of the sample. Results reveal that the spacing between activated slip systems is orientation dependent and exhibits a modest reduction for the $$\langle$$100$$\rangle$$ and $$\langle$$111$$\rangle$$ orientations as shock pressure increases. Comparisons are made to existing theoretical models. Such relationships between shock pressure and dislocation activity, extracted from molecular dynamics simulations, can be used to inform higher length scale simulations or modeling of dislocation-based plasticity during shock.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: University of Florida, Gainesville, FL (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: NA0004088

OSTI ID:: 2524582

Journal Information:: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 8 Vol. 137; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

References (46)

Robust Detection of Lines Using the Progressive Probabilistic Hough Transform Matas, J.; Galambos, C.; Kittler, J. Computer Vision and Image Understanding, Vol. 78, Issue 1 https://doi.org/10.1006/cviu.1999.0831	journal	April 2000
Shock Waves and High-Strain-Rate Phenomena in Metals Meyers, Marc A.; Murr, Lawrence E. https://doi.org/10.1007/978-1-4613-3219-0	book	January 1981
Shock Compression of Monocrystalline Copper: Atomistic Simulations Cao, Buyang; Bringa, Eduardo M.; Meyers, Marc André Metallurgical and Materials Transactions A, Vol. 38, Issue 11 https://doi.org/10.1007/s11661-007-9248-9	journal	July 2007
Shock-induced dislocations Hornbogen, E. Acta Metallurgica, Vol. 10, Issue 10 https://doi.org/10.1016/0001-6160(62)90153-0	journal	October 1962
A mechanism for dislocation generation in shock-wave deformation Meyers, Marc A. Scripta Metallurgica, Vol. 12, Issue 1 https://doi.org/10.1016/0036-9748(78)90219-3	journal	January 1978
Dislocation dynamics and plastic shock waves Weertman, J.; Follansbee, P. S. Mechanics of Materials, Vol. 7, Issue 3 https://doi.org/10.1016/0167-6636(88)90017-8	journal	December 1988
Mechanisms of deformation under shock loading Mogilevsky, M. Physics Reports, Vol. 97, Issue 6 https://doi.org/10.1016/0370-1573(83)90030-3	journal	August 1983
Systematic analysis of local atomic structure combined with 3D computer graphics Faken, Daniel; Jónsson, Hannes Computational Materials Science, Vol. 2, Issue 2 https://doi.org/10.1016/0927-0256(94)90109-0	journal	March 1994
Laser-induced shock compression of monocrystalline copper: characterization and analysis Meyers, M. A.; Gregori, F.; Kad, B. K. Acta Materialia, Vol. 51, Issue 5 https://doi.org/10.1016/S1359-6454(02)00420-2	journal	March 2003
Molecular dynamics simulations of shock compression of nickel: From monocrystals to nanocrystals Jarmakani, H. N.; Bringa, E. M.; Erhart, P. Acta Materialia, Vol. 56, Issue 19 https://doi.org/10.1016/j.actamat.2008.07.052	journal	November 2008
Molecular dynamics simulation of femtosecond ablation and spallation with different interatomic potentials Zhakhovskii, V. V.; Inogamov, N. A.; Petrov, Yu. V. Applied Surface Science, Vol. 255, Issue 24 https://doi.org/10.1016/j.apsusc.2009.04.082	journal	September 2009
Structural characterization of deformed crystals by analysis of common atomic neighborhood Tsuzuki, Helio; Branicio, Paulo S.; Rino, José P. Computer Physics Communications, Vol. 177, Issue 6 https://doi.org/10.1016/j.cpc.2007.05.018	journal	September 2007
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales Thompson, Aidan P.; Aktulga, H. Metin; Berger, Richard Computer Physics Communications, Vol. 271 https://doi.org/10.1016/j.cpc.2021.108171	journal	February 2022
Atomistic simulation of the shock wave in copper single crystals with pre-existing dislocation network Bryukhanov, I. A. International Journal of Plasticity, Vol. 151 https://doi.org/10.1016/j.ijplas.2021.103171	journal	April 2022
Computational 3-dimensional dislocation elastodynamics Cui, Yinan; Po, Giacomo; Pellegrini, Yves-Patrick Journal of the Mechanics and Physics of Solids, Vol. 126 https://doi.org/10.1016/j.jmps.2019.02.008	journal	May 2019
Molecular dynamics studies of the roles of microstructure and thermal effects in spallation of aluminum Liao, Yi; Xiang, Meizhen; Zeng, Xiangguo Mechanics of Materials, Vol. 84 https://doi.org/10.1016/j.mechmat.2015.01.007	journal	May 2015
Atomic insights into shock-induced spallation of single-crystal aluminum through molecular dynamics modeling He, Liu; Wang, Fang; Zeng, Xiangguo Mechanics of Materials, Vol. 143 https://doi.org/10.1016/j.mechmat.2020.103343	journal	April 2020
Effect of porosity on shock propagation behaviour of single crystal aluminium: A molecular dynamics investigation Sharma, Anuj; Dubey, Devendra K. Mechanics of Materials, Vol. 177 https://doi.org/10.1016/j.mechmat.2022.104535	journal	February 2023
Hugoniot Elastic Limit and Spall Strength of Aluminum and Copper Single Crystals over a Wide Range of Strain Rates and Temperatures Razorenov, S. V. AIP Conference Proceedings https://doi.org/10.1063/1.1483587	conference	January 2002
Atomistic shock Hugoniot simulation of single-crystal copper Bringa, E. M.; Cazamias, J. U.; Erhart, P. Journal of Applied Physics, Vol. 96, Issue 7 https://doi.org/10.1063/1.1789266	journal	October 2004
Simulation of shock-induced plasticity including homogeneous and heterogeneous dislocation nucleations Shehadeh, Mutasem A.; Bringa, E. M.; Zbib, H. M. Applied Physics Letters, Vol. 89, Issue 17 https://doi.org/10.1063/1.2364853	journal	October 2006
On the Hugoniot elastic limit in polycrystalline alumina Bourne, N. K.; Millett, J. C. F.; Chen, M. Journal of Applied Physics, Vol. 102, Issue 7 https://doi.org/10.1063/1.2787154	journal	October 2007
Shock compression and unloading response of 1050 aluminum to 70 GPA Choudhuri, Deep; Gupta, Yogendra M. SHOCK COMPRESSION OF CONDENSED MATTER - 2011: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings https://doi.org/10.1063/1.3686388	conference	January 2012
Molecular dynamics simulation of shock melting of aluminum single crystal Ju, Yuanyuan; Zhang, Qingming; Gong, Zizheng Journal of Applied Physics, Vol. 114, Issue 9 https://doi.org/10.1063/1.4819298	journal	September 2013
Shock compression of aluminum single crystals to 70 GPa: Role of crystalline anisotropy Choudhuri, D.; Gupta, Y. M. Journal of Applied Physics, Vol. 114, Issue 15 https://doi.org/10.1063/1.4824825	journal	October 2013
A molecular dynamics study of dislocation density generation and plastic relaxation during shock of single crystal Cu Sichani, Mehrdad M.; Spearot, Douglas E. Journal of Applied Physics, Vol. 120, Issue 4 https://doi.org/10.1063/1.4959075	journal	July 2016
Molecular dynamics modeling of the Hugoniot states of aluminum Yang, Xin; Zeng, Xiangguo; Pu, Chuanjin AIP Advances, Vol. 8, Issue 10 https://doi.org/10.1063/1.5050426	journal	October 2018
Molecular dynamics simulation of the shock response of materials: A tutorial Wen, Peng; Tao, Gang; Spearot, Douglas E. Journal of Applied Physics, Vol. 131, Issue 5 https://doi.org/10.1063/5.0076266	journal	February 2022
Origins of plastic shock waves in single-crystal Cu Xu, Y. F.; Hu, S. C.; Cai, Y. Journal of Applied Physics, Vol. 131, Issue 11 https://doi.org/10.1063/5.0080757	journal	March 2022
Shock behavior of materials Coppari, Federica; de Rességuier, Thibaut; Razorenov, Sergey Journal of Applied Physics, Vol. 133, Issue 5 https://doi.org/10.1063/5.0143414	journal	February 2023
On the homogeneous nucleation and propagation of dislocations under shock compression Shehadeh, Mutasem A.; Zbib, Hussein M. Philosophical Magazine, Vol. 96, Issue 26 https://doi.org/10.1080/14786435.2016.1213444	journal	August 2016
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool Stukowski, Alexander Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 1 https://doi.org/10.1088/0965-0393/18/1/015012	journal	December 2009
Extracting dislocations and non-dislocation crystal defects from atomistic simulation data Stukowski, Alexander; Albe, Karsten Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 8 https://doi.org/10.1088/0965-0393/18/8/085001	journal	September 2010
A FFT-based formulation for efficient mechanical fields computation in isotropic and anisotropic periodic discrete dislocation dynamics Bertin, N.; Upadhyay, M. V.; Pradalier, C. Modelling and Simulation in Materials Science and Engineering, Vol. 23, Issue 6 https://doi.org/10.1088/0965-0393/23/6/065009	journal	August 2015
HPC simulations of shock front evolution for a study of the shock precursor decay in a submicron thick nanocrystalline aluminum Valisetty, R.; Rajendran, A.; Agarwal, G. Modelling and Simulation in Materials Science and Engineering, Vol. 26, Issue 5 https://doi.org/10.1088/1361-651X/aac1c3	journal	May 2018
A dynamic discrete dislocation plasticity method for the simulation of plastic relaxation under shock loading Gurrutxaga-Lerma, Beñat; Balint, Daniel S.; Dini, Daniele Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 469, Issue 2156 https://doi.org/10.1098/rspa.2013.0141	journal	August 2013
Modeling shock-wave deformation via molecular dynamics Holian, Brad Lee Physical Review A, Vol. 37, Issue 7 https://doi.org/10.1103/PhysRevA.37.2562	journal	April 1988
Shock-driven nucleation and self-organization of dislocations in the dynamical Peierls model Pellegrini, Y. -P.; Josien, M. Physical Review B, Vol. 108, Issue 5 https://doi.org/10.1103/PhysRevB.108.054309	journal	August 2023
Dislocation nucleation and defect structure during surface indentation Kelchner, Cynthia L.; Plimpton, S. J.; Hamilton, J. C. Physical Review B, Vol. 58, Issue 17 https://doi.org/10.1103/PhysRevB.58.11085	journal	November 1998
Interatomic potentials for monoatomic metals from experimental data and ab initio calculations Mishin, Y.; Farkas, D.; Mehl, M. J. Physical Review B, Vol. 59, Issue 5 https://doi.org/10.1103/PhysRevB.59.3393	journal	February 1999
Elastic anisotropy of shocked aluminum single crystals: Use of molecular dynamics simulations Zimmerman, J. A.; Winey, J. M.; Gupta, Y. M. Physical Review B, Vol. 83, Issue 18 https://doi.org/10.1103/PhysRevB.83.184113	journal	May 2011
Two-Zone Elastic-Plastic Single Shock Waves in Solids Zhakhovsky, Vasily V.; Budzevich, Mikalai M.; Inogamov, Nail A. Physical Review Letters, Vol. 107, Issue 13 https://doi.org/10.1103/PhysRevLett.107.135502	journal	September 2011
Attenuation of the Dynamic Yield Point of Shocked Aluminum Using Elastodynamic Simulations of Dislocation Dynamics Gurrutxaga-Lerma, Beñat; Balint, Daniel S.; Dini, Daniele Physical Review Letters, Vol. 114, Issue 17 https://doi.org/10.1103/PhysRevLett.114.174301	journal	April 2015
Orientation Dependence in Molecular Dynamics Simulations of Shocked Single Crystals Germann, Timothy C.; Holian, Brad Lee; Lomdahl, Peter S. Physical Review Letters, Vol. 84, Issue 23 https://doi.org/10.1103/PhysRevLett.84.5351	journal	June 2000
Amorphization in extreme deformation of the CrMnFeCoNi high-entropy alloy Zhao, Shiteng; Li, Zezhou; Zhu, Chaoyi Science Advances, Vol. 7, Issue 5 https://doi.org/10.1126/sciadv.abb3108	journal	January 2021
Plasticity Induced by Shock Waves in Nonequilibrium Molecular-Dynamics Simulations Holian, B. L. Science, Vol. 280, Issue 5372 https://doi.org/10.1126/science.280.5372.2085	journal	June 1998

Similar Records

Elastic-plastic deformation of molybdenum single crystals shocked to 12.5 GPa: Crystal anisotropy effects

Journal Article · 2019 · Journal of Applied Physics · OSTI ID:1493763

Mandal, A.; Gupta, Y. M.

Shock compression of single-crystal stainless steel

Journal Article · 2024 · Acta Materialia · OSTI ID:2350982

Brown, Nathan Parnell; Ruggles, Timothy J.; Johnson, Christopher Rueben; +3 more

Dislocation generation in diamond under extreme loading

Journal Article · 2023 · Matter (Online) · OSTI ID:2204927

Li, Alex C.; Li, Boya; Rudd, Robert E.; +1 more

Related Subjects

36 MATERIALS SCIENCE
Artificial intelligence
Computer programming
Crystal orientation
Crystallographic defects
Elastic waves
Elastodynamics
Molecular dynamics
Plasticity
Shock waves
Thermomechanical analysis

Title: Spatial description of dislocation nucleation in the shock response of single-crystal aluminum

Citation Formats

References (46)

Similar Records

Related Subjects