Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

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

Journal Article · · Journal of Applied Physics
DOI:https://doi.org/10.1063/5.0239019· OSTI ID:2524582
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.
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 journal April 2000
Shock Waves and High-Strain-Rate Phenomena in Metals book January 1981
Shock Compression of Monocrystalline Copper: Atomistic Simulations journal July 2007
Shock-induced dislocations journal October 1962
A mechanism for dislocation generation in shock-wave deformation journal January 1978
Dislocation dynamics and plastic shock waves journal December 1988
Mechanisms of deformation under shock loading journal August 1983
Systematic analysis of local atomic structure combined with 3D computer graphics journal March 1994
Laser-induced shock compression of monocrystalline copper: characterization and analysis journal March 2003
Molecular dynamics simulations of shock compression of nickel: From monocrystals to nanocrystals journal November 2008
Molecular dynamics simulation of femtosecond ablation and spallation with different interatomic potentials journal September 2009
Structural characterization of deformed crystals by analysis of common atomic neighborhood journal September 2007
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales journal February 2022
Atomistic simulation of the shock wave in copper single crystals with pre-existing dislocation network journal April 2022
Computational 3-dimensional dislocation elastodynamics journal May 2019
Molecular dynamics studies of the roles of microstructure and thermal effects in spallation of aluminum journal May 2015
Atomic insights into shock-induced spallation of single-crystal aluminum through molecular dynamics modeling journal April 2020
Effect of porosity on shock propagation behaviour of single crystal aluminium: A molecular dynamics investigation journal February 2023
Hugoniot Elastic Limit and Spall Strength of Aluminum and Copper Single Crystals over a Wide Range of Strain Rates and Temperatures conference January 2002
Atomistic shock Hugoniot simulation of single-crystal copper journal October 2004
Simulation of shock-induced plasticity including homogeneous and heterogeneous dislocation nucleations journal October 2006
On the Hugoniot elastic limit in polycrystalline alumina 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 journal September 2013
Shock compression of aluminum single crystals to 70 GPa: Role of crystalline anisotropy journal October 2013
A molecular dynamics study of dislocation density generation and plastic relaxation during shock of single crystal Cu journal July 2016
Molecular dynamics modeling of the Hugoniot states of aluminum journal October 2018
Molecular dynamics simulation of the shock response of materials: A tutorial journal February 2022
Origins of plastic shock waves in single-crystal Cu journal March 2022
Shock behavior of materials journal February 2023
On the homogeneous nucleation and propagation of dislocations under shock compression journal August 2016
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool journal December 2009
Extracting dislocations and non-dislocation crystal defects from atomistic simulation data journal September 2010
A FFT-based formulation for efficient mechanical fields computation in isotropic and anisotropic periodic discrete dislocation dynamics journal August 2015
HPC simulations of shock front evolution for a study of the shock precursor decay in a submicron thick nanocrystalline aluminum 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 journal April 1988
Shock-driven nucleation and self-organization of dislocations in the dynamical Peierls model journal August 2023
Dislocation nucleation and defect structure during surface indentation journal November 1998
Interatomic potentials for monoatomic metals from experimental data and ab initio calculations journal February 1999
Elastic anisotropy of shocked aluminum single crystals: Use of molecular dynamics simulations journal May 2011
Two-Zone Elastic-Plastic Single Shock Waves in Solids journal September 2011
Attenuation of the Dynamic Yield Point of Shocked Aluminum Using Elastodynamic Simulations of Dislocation Dynamics journal April 2015
Orientation Dependence in Molecular Dynamics Simulations of Shocked Single Crystals journal June 2000
Amorphization in extreme deformation of the CrMnFeCoNi high-entropy alloy journal January 2021
Plasticity Induced by Shock Waves in Nonequilibrium Molecular-Dynamics Simulations journal June 1998