DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Shock Loading of Granular Ni/Al Composites. Part 1. Mechanics of Loading

Abstract

We present molecular dynamics simulations of the thermomechanical response under shock loading of a granular material consisting of laminated Ni/Al grains. We observe two regimes: At low piston velocities (up ≲ 1km/s), the shock wave is diffuse, and the width of the shock front decreases with increasing piston velocity. Beyond a critical shock strength, however, the width remains relatively constant at approximately the mean grain radius. This change in behavior follows from an evolution of the mechanism of compaction with increasing insult strength. Furthermore, the mechanism evolves from plastic deformation-mediated pore collapse for relatively weak shocks, to solid extrusion and fluid ejecta filling pores ahead of the shock front at intermediate strengths, and finally to atomic jetting into the pore for very strong shocks (up ≳ 2 km/s). High-energy fluid ejecta into pores leads to the formation of flow vorticity and can result in a large fraction of the input energy localizing into translational kinetic energy components including the formation of hot spots. This has implications for the mechanical mixing of Ni and Al in these reactive composites.

Authors:
 [1];  [2];  [2];  [3]
  1. Purdue Univ., West Lafayette, IN (United States); Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  3. Purdue Univ., West Lafayette, IN (United States)
Publication Date:
Research Org.:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1235675
Report Number(s):
LA-UR-14-27896
Journal ID: ISSN 1932-7447
Grant/Contract Number:  
HDTRA1-10-1-0119; AC52-06NA25396
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Volume: 118; Journal Issue: 45; Journal ID: ISSN 1932-7447
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE; granular composites; shock loading; energetic materials

Citation Formats

Cherukara, Mathew J., Germann, Timothy C., Kober, Edward M., and Strachan, Alejandro. Shock Loading of Granular Ni/Al Composites. Part 1. Mechanics of Loading. United States: N. p., 2014. Web. doi:10.1021/jp507795w.
Cherukara, Mathew J., Germann, Timothy C., Kober, Edward M., & Strachan, Alejandro. Shock Loading of Granular Ni/Al Composites. Part 1. Mechanics of Loading. United States. https://doi.org/10.1021/jp507795w
Cherukara, Mathew J., Germann, Timothy C., Kober, Edward M., and Strachan, Alejandro. Thu . "Shock Loading of Granular Ni/Al Composites. Part 1. Mechanics of Loading". United States. https://doi.org/10.1021/jp507795w. https://www.osti.gov/servlets/purl/1235675.
@article{osti_1235675,
title = {Shock Loading of Granular Ni/Al Composites. Part 1. Mechanics of Loading},
author = {Cherukara, Mathew J. and Germann, Timothy C. and Kober, Edward M. and Strachan, Alejandro},
abstractNote = {We present molecular dynamics simulations of the thermomechanical response under shock loading of a granular material consisting of laminated Ni/Al grains. We observe two regimes: At low piston velocities (up ≲ 1km/s), the shock wave is diffuse, and the width of the shock front decreases with increasing piston velocity. Beyond a critical shock strength, however, the width remains relatively constant at approximately the mean grain radius. This change in behavior follows from an evolution of the mechanism of compaction with increasing insult strength. Furthermore, the mechanism evolves from plastic deformation-mediated pore collapse for relatively weak shocks, to solid extrusion and fluid ejecta filling pores ahead of the shock front at intermediate strengths, and finally to atomic jetting into the pore for very strong shocks (up ≳ 2 km/s). High-energy fluid ejecta into pores leads to the formation of flow vorticity and can result in a large fraction of the input energy localizing into translational kinetic energy components including the formation of hot spots. This has implications for the mechanical mixing of Ni and Al in these reactive composites.},
doi = {10.1021/jp507795w},
journal = {Journal of Physical Chemistry. C},
number = 45,
volume = 118,
place = {United States},
year = {Thu Oct 16 00:00:00 EDT 2014},
month = {Thu Oct 16 00:00:00 EDT 2014}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 39 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Friction enhances elasticity in granular solids
journal, May 2005


Sintering dense nanocrystalline ceramics without final-stage grain growth
journal, March 2000

  • Chen, I. -Wei; Wang, X. -H.
  • Nature, Vol. 404, Issue 6774
  • DOI: 10.1038/35004548

Slow relaxation and compaction of granular systems
journal, February 2005

  • Richard, Patrick; Nicodemi, Mario; Delannay, Renaud
  • Nature Materials, Vol. 4, Issue 2
  • DOI: 10.1038/nmat1300

Shock-induced consolidation and spallation of Cu nanopowders
journal, January 2012

  • Huang, L.; Han, W. Z.; An, Q.
  • Journal of Applied Physics, Vol. 111, Issue 1
  • DOI: 10.1063/1.3675174

Tailored Reactivity of Ni+Al Nanocomposites: Microstructural Correlations
journal, September 2012

  • Manukyan, Khachatur V.; Mason, B. Aaron; Groven, Lori J.
  • The Journal of Physical Chemistry C, Vol. 116, Issue 39
  • DOI: 10.1021/jp303407e

Collateral damage
journal, February 2004


Reactive nanostructured foil used as a heat source for joining titanium
journal, August 2004

  • Duckham, A.; Spey, S. J.; Wang, J.
  • Journal of Applied Physics, Vol. 96, Issue 4
  • DOI: 10.1063/1.1769097

The role of microstructure refinement on the impact ignition and combustion behavior of mechanically activated Ni/Al reactive composites
journal, September 2013

  • Mason, B. A.; Groven, L. J.; Son, S. F.
  • Journal of Applied Physics, Vol. 114, Issue 11
  • DOI: 10.1063/1.4821236

Phase transformations during rapid heating of Al/Ni multilayer foils
journal, August 2008

  • Trenkle, Jonathan C.; Koerner, Lucas J.; Tate, Mark W.
  • Applied Physics Letters, Vol. 93, Issue 8
  • DOI: 10.1063/1.2975830

Simulation of reactive nanolaminates using reduced models: I. Basic formulation
journal, February 2010


Shock‐induced and shock‐assisted solid‐state chemical reactions in powder mixtures
journal, August 1994

  • Thadhani, N. N.
  • Journal of Applied Physics, Vol. 76, Issue 4
  • DOI: 10.1063/1.357624

Metal-based reactive nanomaterials
journal, April 2009


Observation of a minimum reaction initiation threshold in ball-milled Ni+Al under high-rate mechanical loading
journal, March 2011

  • Herbold, Eric B.; Thadhani, Naresh N.; Jordan, Jennifer L.
  • Journal of Applied Physics, Vol. 109, Issue 6
  • DOI: 10.1063/1.3549822

Thermal explosion in Ni-Al system: influence of reaction medium microstructure
journal, October 2002


Determination of the pressure dependent melting temperatures of Al and Ni using molecular dynamics
journal, September 2009

  • Weingarten, N. Scott; Mattson, William D.; Rice, Betsy M.
  • Journal of Applied Physics, Vol. 106, Issue 6
  • DOI: 10.1063/1.3213342

A molecular dynamics study of the role of pressure on the response of reactive materials to thermal initiation
journal, May 2010

  • Weingarten, N. Scott; Mattson, William D.; Yau, Anthony D.
  • Journal of Applied Physics, Vol. 107, Issue 9
  • DOI: 10.1063/1.3340965

Interdiffusion of Ni-Al multilayers: A continuum and molecular dynamics study
journal, October 2013

  • Xu, Rong-Guang; Falk, Michael L.; Weihs, Timothy P.
  • Journal of Applied Physics, Vol. 114, Issue 16
  • DOI: 10.1063/1.4826527

Atomistic simulations of shock-induced alloying reactions in Ni∕Al nanolaminates
journal, October 2006

  • Zhao, Shijin; Germann, Timothy C.; Strachan, Alejandro
  • The Journal of Chemical Physics, Vol. 125, Issue 16
  • DOI: 10.1063/1.2359438

Microscopic View of Structural Phase Transitions Induced by Shock Waves
journal, May 2002


Effects of void size, density, and arrangement on deflagration and detonation sensitivity of a reactive empirical bond order high explosive
journal, December 2010

  • Herring, S. Davis; Germann, Timothy C.; Grønbech-Jensen, Niels
  • Physical Review B, Vol. 82, Issue 21
  • DOI: 10.1103/PhysRevB.82.214108

Micro-RVE modeling of mechanistic response in porous intermetallics subject to weak and moderate impact loading
journal, December 2013


Packing of Compressible Granular Materials
journal, May 2000

  • Makse, Hernán A.; Johnson, David L.; Schwartz, Lawrence M.
  • Physical Review Letters, Vol. 84, Issue 18
  • DOI: 10.1103/PhysRevLett.84.4160

Dynamic stress bridging in granular material
journal, June 1998

  • Bardenhagen, S. G.; Brackbill, J. U.
  • Journal of Applied Physics, Vol. 83, Issue 11
  • DOI: 10.1063/1.367429

Jamming, Force Chains, and Fragile Matter
journal, August 1998


The early stages of solid‐state reactions in Ni/Al multilayer films
journal, December 1996

  • Michaelsen, C.; Lucadamo, G.; Barmak, K.
  • Journal of Applied Physics, Vol. 80, Issue 12
  • DOI: 10.1063/1.363794

Compositional and structural characterization of temperature-induced solid-state reactions in Al/Ni multilayers
journal, January 2000


Calculation of the surface energy of FCC metals with modified embedded-atom method
journal, May 2004


Two-dimensional packing for irregular shaped objects
conference, January 2003

  • Chen, Ping; Fu, Zhaohui; Lim, A.
  • 36th Annual Hawaii International Conference on System Sciences, 2003. Proceedings of the
  • DOI: 10.1109/HICSS.2003.1174211

Thermal and Impact Reaction Initiation in Ni/Al Heterogeneous Reactive Systems
journal, August 2010

  • Reeves, Robert V.; Mukasyan, Alexander S.; Son, Steven F.
  • The Journal of Physical Chemistry C, Vol. 114, Issue 35
  • DOI: 10.1021/jp104686z

Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995


Development of an interatomic potential for the Ni-Al system
journal, December 2009


Structure identification methods for atomistic simulations of crystalline materials
journal, May 2012


Large-scale molecular dynamics simulations of particulate ejection and Richtmyer-Meshkov instability development in shocked copper
conference, September 2009

  • Germann, T. C.; Dimonte, G.; Hammerberg, J. E.
  • DYMAT 2009 - 9th International Conferences on the Mechanical and Physical Behaviour of Materials under Dynamic Loading
  • DOI: 10.1051/dymat/2009212

Use of the Richtmyer-Meshkov Instability to Infer Yield Stress at High-Energy Densities
journal, December 2011


Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
journal, December 2009


Defect evolution and pore collapse in crystalline energetic materials
journal, February 2009

  • Barton, Nathan R.; Winter, Nicholas W.; Reaugh, John E.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 17, Issue 3
  • DOI: 10.1088/0965-0393/17/3/035003

Works referencing / citing this record:

Architecture-independent reactivity tuning of Ni/Al multilayers by solid solution alloying
journal, May 2019

  • Danzi, S.; Schnabel, V.; Zhao, X.
  • Applied Physics Letters, Vol. 114, Issue 18
  • DOI: 10.1063/1.5095828

Effect of particle packing and density on shock response in ordered arrays of Ni + Al nanoparticles
journal, January 2019

  • Xiong, Yongnan; Li, Xiaofan; Xiao, Shifang
  • Physical Chemistry Chemical Physics, Vol. 21, Issue 14
  • DOI: 10.1039/c8cp06497k

Shock-Induced Chemistry: Molecular Dynamics and Coarse Grain Modeling
book, February 2019

  • Islam, Md Mahbubul; Cherukara, Mathew; Antillon, Edwin
  • Computational Approaches for Chemistry Under Extreme Conditions
  • DOI: 10.1007/978-3-030-05600-1_8

The shock-induced chemical reaction behaviour of Al/Ni composites by cold rolling and powder compaction
journal, January 2019


Molecular dynamics simulations of isothermal reactions in Al/Ni nanolaminates
journal, June 2019

  • Smith, Grant D.; Bedrov, Dmitry; Hooper, Justin
  • The Journal of Chemical Physics, Vol. 150, Issue 21
  • DOI: 10.1063/1.5088448

Silicene Growth through Island Migration and Coalescence
journal, November 2020