Continuum and molecular dynamics simulations of pore collapse in shocked β -tetramethylene tetranitramine ( β -HMX) single crystals
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January 2021 |
Atomistic Mechanism for Hot Spot Initiation
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December 2002 |
Multiscale modeling of shock wave localization in porous energetic material
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January 2018 |
Shock-induced shear bands in an energetic molecular crystal: Application of shock-front absorbing boundary conditions to molecular dynamics simulations
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July 2008 |
Shock wave focusing using geometrical shock dynamics
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October 1997 |
Shock-Induced Inelastic Deformation in Oriented Crystalline Pentaerythritol Tetranitrate
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November 2011 |
Atomistic Simulation of Orientation Dependence in Shock-Induced Initiation of Pentaerythritol Tetranitrate
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January 2013 |
Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX
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August 2003 |
Equation of state and reaction rate for condensed-phase explosives
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September 2005 |
Fourier-like Thermal Relaxation of Nanoscale Explosive Hot Spots
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September 2021 |
Direct numerical simulation of shear localization and decomposition reactions in shock-loaded HMX crystal
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May 2015 |
Tandem Molecular Dynamics and Continuum Studies of Shock‐Induced Pore Collapse in TATB
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November 2019 |
Force-induced activation of covalent bonds in mechanoresponsive polymeric materials
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May 2009 |
Fast Parallel Algorithms for Short-Range Molecular Dynamics
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March 1995 |
Polarizable and Nonpolarizable Force Fields for Alkyl Nitrates
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January 2008 |
Dynamics of void collapse in shocked energetic materials: physics of void–void interactions
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March 2013 |
Virtual melting as a new mechanism of stress relaxation under high strain rate loading
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July 2012 |
Shock Wave Initiation of Pentaerythritol Tetranitrate Single Crystals: Mechanism of Anisotropic Sensitivity
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November 2000 |
A Hotspot’s Better Half: Non-Equilibrium Intra-Molecular Strain in Shock Physics
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March 2021 |
Hotspot formation due to shock-induced pore collapse in 1,3,5,7-tetranitro-1,3,5,7-tetrazoctane (HMX): Role of pore shape and shock strength in collapse mechanism and temperature
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May 2020 |
The focusing of weak shock waves
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February 1976 |
High Explosive Ignition through Chemically Activated Nanoscale Shear Bands
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May 2020 |
Inducing and quantifying forbidden reactivity with single-molecule polymer mechanochemistry
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February 2015 |
Three-dimensional microstructure-explicit and void-explicit mesoscale simulations of detonation of HMX at millimeter sample size scale
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March 2020 |
A generalized crystal-cutting method for modeling arbitrarily oriented crystals in 3D periodic simulation cells with applications to crystal–crystal interfaces
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October 2016 |
Modeling The Effects of Shock Pressure and Pore Morphology on Hot Spot Mechanisms in HMX
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June 2018 |
Role of dynamical compressive and shear loading on hotspot criticality in RDX via reactive molecular dynamics
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August 2020 |
Exact method for the simulation of Coulombic systems by spherically truncated, pairwise r−1 summation
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May 1999 |
Interplay of Mechanochemistry and Material Processes in the Graphite to Diamond Phase Transformation
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preprint
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January 2023 |
A unified formulation of the constant temperature molecular dynamics methods
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July 1984 |
Shock-induced plasticity in tantalum single crystals: Interatomic potentials and large-scale molecular-dynamics simulations
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October 2013 |
Shear activation of mechanophore-crosslinked polymers
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January 2011 |
Ultrafast Chemistry under Nonequilibrium Conditions and the Shock to Deflagration Transition at the Nanoscale
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September 2015 |
Force-dependent chemical kinetics of disulfide bond reduction observed with single-molecule techniques
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April 2006 |
Chemistry Under Shock Conditions
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July 2021 |
Comments on P3M, FMM, and the Ewald method for large periodic Coulombic systems
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June 1996 |
Mechanochemistry of Metal–Organic Frameworks under Pressure and Shock
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September 2020 |
Irreversible Deformation Mechanisms for 1,3,5-Triamino-2,4,6-Trinitrobenzene Single Crystal through Molecular Dynamics Simulations
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May 2018 |
Systematic Builder for All‐Atom Simulations of Plastically Bonded Explosives
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June 2022 |
Theoretical determination of anisotropic thermal conductivity for initially defect-free and defective TATB single crystals
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November 2014 |
Energy localization efficiency in 1,3,5-trinitro-2,4,6-triaminobenzene pore collapse mechanisms
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journal
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January 2023 |
Molecular mechanics modeling of shear and the crystal orientation dependence of the elastic precursor shock strength in pentaerythritol tetranitrate
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September 1994 |
Strongly Anisotropic Thermomechanical Response to Shock Wave Loading in Oriented Samples of the Triclinic Molecular Crystal 1,3,5-Triamino-2,4,6-trinitrobenzene
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journal
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October 2021 |
Understanding the shock and detonation response of high explosives at the continuum and meso scales
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March 2018 |
Molecular Dynamics of Shock Waves in Three-Dimensional Solids: Transition from Nonsteady to Steady Waves in Perfect Crystals and Implications for the Rankine-Hugoniot Conditions
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November 1979 |
Extemporaneous Mechanochemistry: Shock-Wave-Induced Ultrafast Chemical Reactions Due to Intramolecular Strain Energy
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July 2022 |
Atomic-level view of inelastic deformation in a shock loaded molecular crystal
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journal
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August 2007 |
Void collapse generated meso-scale energy localization in shocked energetic materials: Non-dimensional parameters, regimes, and criticality of hotspots
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journal
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January 2019 |
Anisotropy in surface-initiated melting of the triclinic molecular crystal 1,3,5-triamino-2,4,6-trinitrobenzene: A molecular dynamics study
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September 2015 |
The Potential Energy Hotspot: Effects of Impact Velocity, Defect Geometry, and Crystallographic Orientation
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journal
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February 2022 |
A molecular dynamics simulation study of crystalline 1,3,5-triamino-2,4,6-trinitrobenzene as a function of pressure and temperature
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December 2009 |
Ultrafast Chemical Reactions in Shocked Nitromethane Probed with Dynamic Ellipsometry and Transient Absorption Spectroscopy
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journal
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March 2014 |
Dynamic fracture and hot-spot modeling in energetic composites
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journal
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February 2018 |
Anisotropic strength behavior of single-crystal TATB
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December 2021 |
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
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journal
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February 2022 |
Deviatoric stress driven transient melting below the glass transition temperature in shocked polymers
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July 2022 |
Activating catalysts with mechanical force
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April 2009 |
On the shock induced failure of brittle solids
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October 1998 |
Many-Body Mechanochemistry: Intra-molecular Strain in Condensed Matter Chemistry
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February 2022 |