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Matthew Kroonblawd
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High explosive ignition through chemically activated nanoscale shear bands
MP Kroonblawd, LE Fried
Physical Review Letters 124 (20), 206002, 2020
842020
A generalized crystal-cutting method for modeling arbitrarily oriented crystals in 3D periodic simulation cells with applications to crystal–crystal interfaces
MP Kroonblawd, N Mathew, S Jiang, TD Sewell
Computer Physics Communications 207, 232-242, 2016
642016
Theoretical determination of anisotropic thermal conductivity for crystalline 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB)
MP Kroonblawd, TD Sewell
The Journal of chemical physics 139 (7), 2013
612013
Theoretical determination of anisotropic thermal conductivity for initially defect-free and defective TATB single crystals
MP Kroonblawd, TD Sewell
The Journal of Chemical Physics 141 (18), 2014
462014
Sensitivity of the shock initiation threshold of 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB) to nuclear quantum effects
BW Hamilton, MP Kroonblawd, MM Islam, A Strachan
The Journal of Physical Chemistry C 123 (36), 21969-21981, 2019
432019
Pressure-induced phase transition in 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB)
BA Steele, SM Clarke, MP Kroonblawd, IFW Kuo, P Pagoria, SN Tkachev, ...
Applied Physics Letters 114 (19), 2019
422019
Characteristics of energy exchange between inter-and intramolecular degrees of freedom in crystalline 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB) with implications for …
MP Kroonblawd, TD Sewell, JB Maillet
The Journal of Chemical Physics 144 (6), 2016
422016
Sensitivity of pore collapse heating to the melting temperature and shear viscosity of HMX
MP Kroonblawd, RA Austin
Mechanics of Materials 152, 103644, 2021
412021
A Hotspots Better Half: Non-Equilibrium Intra-Molecular Strain in Shock Physics
BW Hamilton, MP Kroonblawd, C Li, A Strachan
The Journal of Physical Chemistry Letters 12, 2756, 2021
382021
Generating converged accurate free energy surfaces for chemical reactions with a force-matched semiempirical Model
MP Kroonblawd, F Pietrucci, AM Saitta, N Goldman
Journal of Chemical Theory and Computation 14 (4), 2207-2218, 2018
332018
Synthesis of functionalized nitrogen-containing polycyclic aromatic hydrocarbons and other prebiotic compounds in impacting glycine solutions
MP Kroonblawd, RK Lindsey, N Goldman
Chemical science 10 (24), 6091-6098, 2019
322019
Predicted Anisotropic Thermal Conductivity for Crystalline 1, 3, 5‐Triamino‐2, 4, 6‐trinitobenzene (TATB): Temperature and Pressure Dependence and Sensitivity to Intramolecular …
MP Kroonblawd, TD Sewell
Propellants, Explosives, Pyrotechnics 41 (3), 502-513, 2016
302016
Mechanochemical synthesis of glycine oligomers in a virtual rotational diamond anvil cell
BA Steele, N Goldman, IFW Kuo, MP Kroonblawd
Chemical Science 11 (30), 7760-7771, 2020
282020
Mechanochemical formation of heterogeneous diamond structures during rapid uniaxial compression in graphite
MP Kroonblawd, N Goldman
Physical Review B 97 (18), 184106, 2018
282018
Anisotropic relaxation of idealized hot spots in crystalline 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB)
MP Kroonblawd, TD Sewell
The Journal of Physical Chemistry C 120 (31), 17214-17223, 2016
282016
Chemical degradation pathways in siloxane polymers following phenyl excitations
MP Kroonblawd, N Goldman, JP Lewicki
The Journal of Physical Chemistry B 122 (50), 12201-12210, 2018
272018
The potential energy hotspot: Effects of impact velocity, defect geometry, and crystallographic orientation
BW Hamilton, MP Kroonblawd, A Strachan
The Journal of Physical Chemistry C 126 (7), 3743-3755, 2022
262022
Predicted reaction mechanisms, product speciation, kinetics, and detonation properties of the insensitive explosive 2, 6-diamino-3, 5-dinitropyrazine-1-oxide (llm-105)
BW Hamilton, BA Steele, MN Sakano, MP Kroonblawd, IFW Kuo, ...
The Journal of Physical Chemistry A 125 (8), 1766-1777, 2021
262021
A molecular dynamics simulation study of thermal conductivity anisotropy in β-octahydro-1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine (β-HMX)
R Chitsazi, MP Kroonblawd, A Pereverzev, T Sewell
Modelling and Simulation in Materials Science and Engineering 28 (2), 025008, 2020
262020
Predicted melt curve and liquid-state transport properties of TATB from molecular dynamics simulations
N Mathew, MP Kroonblawd, T Sewell, DL Thompson
Molecular Simulation 44 (8), 613-622, 2018
262018
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