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Title: Nonlinear electromagnetic interactions in energetic materials

Journal Article · · Physical Review Applied
 [1];  [2];  [3]
  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

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.

Research Organization:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Organization:
USDOE
Grant/Contract Number:
AC52-06NA25396; N00014-11-0466
OSTI ID:
1304812
Alternate ID(s):
OSTI ID: 1235757
Report Number(s):
LA-UR-15-27584
Journal Information:
Physical Review Applied, Vol. 5, Issue 1; ISSN 2331-7019
Publisher:
American Physical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 2 works
Citation information provided by
Web of Science

References (17)

Advances in explosives analysis—part II: photon and neutron methods journal October 2015
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
ReaxFF:  A Reactive Force Field for Hydrocarbons journal October 2001
Density-Dependent Liquid Nitromethane Decomposition: Molecular Dynamics Simulations Based on ReaxFF journal September 2011
Anisotropic shock sensitivity for β -octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine energetic material under compressive-shear loading from ReaxFF-lg reactive dynamics simulations journal June 2012
Coupled Thermal and Electromagnetic Induced Decomposition in the Molecular Explosive αHMX; A Reactive Molecular Dynamics Study journal January 2014
Insights in the Plasma-Assisted Growth of Carbon Nanotubes through Atomic Scale Simulations: Effect of Electric Field journal December 2011
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
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
Anharmonic Vibrational Properties of Explosives from Temperature-Dependent Raman journal November 2005
Crystal structures of three solid solution phases of ammonium nitrate and potassium nitrate journal January 1975
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

Cited By (1)

Microscale Electromagnetic Heating in Heterogeneous Energetic Materials Based on X-ray Computed Tomography journal April 2016

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