Matter at Extreme Conditions: Energetic Materials II

Presentations

• Accelerating reactive Monte Carlo simulation by machine learning

  ORAL · Invited

  March 15, 2022, 12:30 PM – March 15, 2022, 1:06 PM

  Publication: Ryan B. Jadrich, Christopher Ticknor, Jeffery A. Leiding. "First principles reactive simulation for equation of state prediction." The Journal of Chemical Physics, no. 154 (2021): 244397<br><br>Jadrich, Ryan B., and Jeffery A. Leiding. "Accelerating Ab Initio Simulation via Nested Monte Carlo and Machine Learned Reference Potentials." The Journal of Physical Chemistry B 124, no. 26 (2020): 5488-5497.<br><br>Maerzke, Katie A., Tae Jun Yoon, Ryan B. Jadrich, Jeffery A. Leiding, and Robert P. Currier. "First-Principles Simulations of CuCl in High-Temperature Water Vapor." The Journal of Physical Chemistry B 125, no. 18 (2021): 4794-4807.

  Presenters

  • Ryan B Jadrich

    Los Alamos National Laboratory

  Authors

  • Ryan B Jadrich

    Los Alamos National Laboratory

  • Jeffery A Leiding

    Los Alamos National Laboratory

  • Christopher C Ticknor

    Los Alamos National Laboratory

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• Many Bodied Mechanochemistry Simulations: Exploring the initial events inside a hotspot

  ORAL

  March 15, 2022, 1:06 PM – March 15, 2022, 1:18 PM

  Presenters

  • Brenden W Hamilton

    Purdue Univ, Purdue University

  Authors

  • Brenden W Hamilton

    Purdue Univ, Purdue University

  • Alejandro H Strachan

    Purdue University

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• Visualizing Phase Change and Temperature Rise during Shock Loading of an Energetic Material Sample using Laser Array Raman Spectroscopy

  ORAL

  March 15, 2022, 1:18 PM – March 15, 2022, 1:30 PM

  Presenters

  • Abhijeet Dhiman

    Purdue University

  Authors

  • Abhijeet Dhiman

    Purdue University

  • Tyler A Dillard

    Purdue University

  • Vikas Tomar

    Purdue University

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• Characterization of temporal species and temperature evolution during nitromethane fireballs

  ORAL

  March 15, 2022, 1:30 PM – March 15, 2022, 1:42 PM

  Presenters

  • Robert Greene

    University of Central Florida

  Authors

  • Robert Greene

    University of Central Florida

  • Nishan Khanal

    University of Central Florida

  • Marc Etienne

    University of Central Florida

  • Subith Vasu

    University of Central Florida

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• Simulation of Post-Detonation Reaction and Afterburning Process of High-Explosive Charges with Detailed Chemical Kinetics

  ORAL

  March 15, 2022, 1:42 PM – March 15, 2022, 1:54 PM

  Presenters

  • Ryan Houim

    University of Florida

  Authors

  • Ryan Houim

    University of Florida

  • Anthony Egeln

    University of Florida

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• Simulations of Deflagration Waves in HMX

  ORAL

  March 15, 2022, 1:54 PM – March 15, 2022, 2:06 PM

  Presenters

  • Edward M Kober

    Los Alamos National Laboratory

  Authors

  • Edward M Kober

    Los Alamos National Laboratory

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• Cellular structures found in the detonation front of liquid nitromethane with tabletop shock compression

  ORAL

  March 15, 2022, 2:06 PM – March 15, 2022, 2:18 PM

  Publication: M. Bhowmick, E. J. Nissen, D. D. Dlott, J. App. Physics. 124, 75901 (2018). <br>E. J. Nissen, M. Bhowmick, D. D. Dlott, Combustion and Flame. 225, 5-12 (2021). <br>E. J. Nissen, M. Bhowmick, D. D. Dlott, J. Phys. Chem. B. 125 (29), 8185-8192 (2021).

  Presenters

  • Erin J Nissen

    Sandia National Laboratories

  Authors

  • Erin J Nissen

    Sandia National Laboratories

  • Mithun Bhowmick

    Miami University

  • Dana D Dlott

    University of Illinois at Urbana-Champaign

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• Drop weight impact thermomechanics with GnarlyX multi-physics hydrocode simulations

  ORAL

  March 15, 2022, 2:18 PM – March 15, 2022, 2:30 PM

  Presenters

  • Roseanne M Cheng

    Los Alamos National Laboratory

  Authors

  • Roseanne M Cheng

    Los Alamos National Laboratory

  • Milovan Zecevic

    Los Alamos Natl Lab, Los Alamos National Laboratory

  • Marc J Cawkwell

    Los Alamos National Laboratory

  • Frank Marrs

    Los Alamos National Laboratory

  • Virginia W Manner

    Los Alamos National Laboratory, Los Alamos Natl Lab

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• 3-Phonon Scattering Pathways for Vibrational Energy Up-pumping in Crystalline RDX

  ORAL

  March 15, 2022, 2:30 PM – March 15, 2022, 2:42 PM

  Publication: G. Kumar, F. VanGessel, L. Munday and P. Chung, "3-Phonon Scattering Pathways for Vibrational Energy Transfer in Crystalline RDX," Journal of Physical Chemistry A, vol. 125, no. 35, pp. 7723-7734, 2021.

  Presenters

  • Gaurav Kumar

    University of Maryland, College Park

  Authors

  • Gaurav Kumar

    University of Maryland, College Park

  • Francis G VanGessel

    US Naval Surface Warfare Center Indian Head Division

  • Lynn B Munday

    Idaho National Laboratory

  • Peter W Chung

    University of Maryland, College Park

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• Coarse-Grained Reactive Model of RDX: Conjoining the Continuum and Atomistic Resolution

  ORAL

  March 15, 2022, 2:42 PM – March 15, 2022, 2:54 PM

  Presenters

  • Brian H Lee

    Purdue University

  Authors

  • Brian H Lee

    Purdue University

  • Michael N Sakano

    Purdue University

  • James P Larentzos

    U.S. Army Research Laboratory

  • John K Brennan

    U.S. Army Research Laboratory

  • Alejandro H Strachan

    Purdue University

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• Explosive mechanochemistry: Foundations for strength-aware chemical kinetics

  ORAL · Invited

  March 15, 2022, 2:54 PM – March 15, 2022, 3:30 PM

  Presenters

  • Matthew P Kroonblawd

    Lawrence Livermore Natl Lab

  Authors

  • Matthew P Kroonblawd

    Lawrence Livermore Natl Lab

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