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Title: Nonlinear electromagnetic interactions in energetic materials

Abstract

We study the scattering of electromagnetic waves in anisotropic energetic materials. Nonlinear light-matter interactions in molecular crystals result in frequency-conversion and polarization changes. Applied electromagnetic fields of moderate intensity can induce these nonlinear effects without triggering chemical decomposition, offering a mechanism for the nonionizing identification of explosives. We use molecular-dynamics simulations to compute such two-dimensional THz spectra for planar slabs made of pentaerythritol tetranitrate and ammonium nitrate. Finally, we discuss third-harmonic generation and polarization-conversion processes in such materials. These observed far-field spectral features of the reflected or transmitted light may serve as an alternative tool for standoff explosive detection.

Authors:
 [1];  [2];  [3]
+ Show Author Affiliations
  1. Purdue Univ., West Lafayette, IN (United States). School of Materials Engineering and Birck Nanotechnology Center; Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division
  3. Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Explosive Science and Shock Physics Division
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1304812
Alternate Identifier(s):
OSTI ID: 1235757
Report Number(s):
LA-UR-15-27584
Journal ID: ISSN 2331-7019
Grant/Contract Number:  
AC52-06NA25396; N00014-11-0466
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Applied
Additional Journal Information:
Journal Volume: 5; Journal Issue: 1; Journal ID: ISSN 2331-7019
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS

Citation Formats

Wood, Mitchell Anthony, Dalvit, Diego Alejandro, and Moore, David Steven. Nonlinear electromagnetic interactions in energetic materials. United States: N. p., 2016. Web. doi:10.1103/PhysRevApplied.5.014004.
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Wood, Mitchell Anthony, Dalvit, Diego Alejandro, & Moore, David Steven. Nonlinear electromagnetic interactions in energetic materials. United States. https://doi.org/10.1103/PhysRevApplied.5.014004
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Wood, Mitchell Anthony, Dalvit, Diego Alejandro, and Moore, David Steven. Tue . "Nonlinear electromagnetic interactions in energetic materials". United States. https://doi.org/10.1103/PhysRevApplied.5.014004. https://www.osti.gov/servlets/purl/1304812.
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@article{osti_1304812,
title = {Nonlinear electromagnetic interactions in energetic materials},
author = {Wood, Mitchell Anthony and Dalvit, Diego Alejandro and Moore, David Steven},
abstractNote = {We study the scattering of electromagnetic waves in anisotropic energetic materials. Nonlinear light-matter interactions in molecular crystals result in frequency-conversion and polarization changes. Applied electromagnetic fields of moderate intensity can induce these nonlinear effects without triggering chemical decomposition, offering a mechanism for the nonionizing identification of explosives. We use molecular-dynamics simulations to compute such two-dimensional THz spectra for planar slabs made of pentaerythritol tetranitrate and ammonium nitrate. Finally, we discuss third-harmonic generation and polarization-conversion processes in such materials. These observed far-field spectral features of the reflected or transmitted light may serve as an alternative tool for standoff explosive detection.},
doi = {10.1103/PhysRevApplied.5.014004},
journal = {Physical Review Applied},
number = 1,
volume = 5,
place = {United States},
year = {Tue Jan 12 00:00:00 EST 2016},
month = {Tue Jan 12 00:00:00 EST 2016}
}
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https://doi.org/10.1103/PhysRevApplied.5.014004
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Works referenced in this record:

Advances in explosives analysis—part II: photon and neutron methods
journal, October 2015

  • Brown, Kathryn E.; Greenfield, Margo T.; McGrane, Shawn D.
  • Analytical and Bioanalytical Chemistry, Vol. 408, Issue 1
  • DOI: 10.1007/s00216-015-9043-1

Explosives Detection by Terahertz Spectroscopy—A Bridge Too Far?
journal, September 2011

Direct MD Simulations of Terahertz Absorption and 2D Spectroscopy Applied to Explosive Crystals
journal, February 2014

  • Katz, G.; Zybin, S.; Goddard, W. A.
  • The Journal of Physical Chemistry Letters, Vol. 5, Issue 5
  • DOI: 10.1021/jz402801m

ReaxFF:  A Reactive Force Field for Hydrocarbons
journal, October 2001

  • van Duin, Adri C. T.; Dasgupta, Siddharth; Lorant, Francois
  • The Journal of Physical Chemistry A, Vol. 105, Issue 41
  • DOI: 10.1021/jp004368u

Density-Dependent Liquid Nitromethane Decomposition: Molecular Dynamics Simulations Based on ReaxFF
journal, September 2011

  • Rom, Naomi; Zybin, Sergey V.; van Duin, Adri C. T.
  • The Journal of Physical Chemistry A, Vol. 115, Issue 36
  • DOI: 10.1021/jp202059v

Coupled Thermal and Electromagnetic Induced Decomposition in the Molecular Explosive αHMX; A Reactive Molecular Dynamics Study
journal, January 2014

  • Wood, Mitchell A.; van Duin, Adri C. T.; Strachan, Alejandro
  • The Journal of Physical Chemistry A, Vol. 118, Issue 5
  • DOI: 10.1021/jp406248m

Insights in the Plasma-Assisted Growth of Carbon Nanotubes through Atomic Scale Simulations: Effect of Electric Field
journal, December 2011

  • Neyts, Erik C.; van Duin, Adri C. T.; Bogaerts, Annemie
  • Journal of the American Chemical Society, Vol. 134, Issue 2
  • DOI: 10.1021/ja2096317

The theoretical investigation of the β-crystobalite structure under the effect of electric field
journal, January 2015

Charge equilibration for molecular dynamics simulations
journal, April 1991

  • Rappe, Anthony K.; Goddard, William A.
  • The Journal of Physical Chemistry, Vol. 95, Issue 8
  • DOI: 10.1021/j100161a070

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

Comparison of thermal and catalytic cracking of 1-heptene from ReaxFF reactive molecular dynamics simulations
journal, April 2013

Ultrafast Chemistry under Nonequilibrium Conditions and the Shock to Deflagration Transition at the Nanoscale
journal, September 2015

  • Wood, Mitchell A.; Cherukara, Mathew J.; Kober, Edward M.
  • The Journal of Physical Chemistry C, Vol. 119, Issue 38
  • DOI: 10.1021/acs.jpcc.5b05362

Anharmonic Vibrational Properties of Explosives from Temperature-Dependent Raman
journal, November 2005

  • McGrane, Shawn D.; Barber, Jeffrey; Quenneville, Jason
  • The Journal of Physical Chemistry A, Vol. 109, Issue 44
  • DOI: 10.1021/jp0523219

Crystal structures of three solid solution phases of ammonium nitrate and potassium nitrate
journal, January 1975

  • Holden, James R.; Dickinson, Charles W.
  • The Journal of Physical Chemistry, Vol. 79, Issue 3
  • DOI: 10.1021/j100570a011

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

Thermodynamics and quantum corrections from molecular dynamics for liquid water
journal, September 1983

  • Berens, Peter H.; Mackay, Donald H. J.; White, Gary M.
  • The Journal of Chemical Physics, Vol. 79, Issue 5
  • DOI: 10.1063/1.446044
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