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Elastic Coefficients of β-HMX as Functions of Pressure and Temperature from Molecular Dynamics

Crystals (Basel), 2020-12, Vol.10 (12), p.1123

2020

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Molecular Dynamics in Energetic Materials Research

Propellants, explosives, pyrotechnics, 2022-08, Vol.47 (8), p.n/a

Sewell, Tommy

2022

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Heat-current filtering for Green–Kubo and Helfand-moment molecular dynamics predictions of thermal conductivity: Application to the organic crystal β-HMX

International journal of heat and mass transfer, 2022-06, Vol.188, p.122647, Article 122647

2022

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Thermal conductivity tensor of β‐HMX as a function of pressure and temperature from equilibrium molecular dynamics simulations

Propellants, explosives, pyrotechnics, 2023-07, Vol.48 (7), p.n/a

2023

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Molecular Dynamics Predictions of Shock‐Induced Pore Collapse in (010)‐Oriented β‐HMX: Effects of Sample Thickness and Transverse Orientation, and Run‐To‐Run Variability among Statistically Equivalent Samples

Propellants, explosives, pyrotechnics, 2022-08, Vol.47 (8), p.n/a

2022

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Molecular dynamics-guided material model for the simulation of shock-induced pore collapse in β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (β-HMX)

Journal of applied physics, 2021-08, Vol.130 (8)

2021

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Tandem Molecular Dynamics and Continuum Studies of Shock‐Induced Pore Collapse in TATB

Propellants, explosives, pyrotechnics, 2020-02, Vol.45 (2), p.196-222

2020

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Strongly Anisotropic Thermomechanical Response to Shock Wave Loading in Oriented Samples of the Triclinic Molecular Crystal 1,3,5-Triamino-2,4,6-trinitrobenzene

Journal of physical chemistry. C, 2021-10, Vol.125 (41), p.22747-22765

2021

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Domain partitioning material point method for simulating shock in polycrystalline energetic materials

Computer methods in applied mechanics and engineering, 2023-02, Vol.404, p.115815, Article 115815

2023

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Pressure‐dependent Elastic Coefficients of β‐HMX from Molecular Simulations

Propellants, explosives, pyrotechnics, 2018-03, Vol.43 (3), p.223-227

2018

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Molecular dynamics inferred transfer learning models for finite‐strain hyperelasticity of monoclinic crystals: Sobolev training and validations against physical constraints

International journal for numerical methods in engineering, 2022-09, Vol.123 (17), p.3922-3949

2022

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New Nonreactive Force Field for Accurate Molecular Dynamics Simulations of TATB at Extreme Conditions

Journal of chemical and engineering data, 2024-04, Vol.69 (4), p.1526-1545

2024

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International journal for numerical methods in engineering, 2022-09, Vol.123 (17), p.i-i

2022

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Atomistic study of the impact response of bicontinuous nanoporous gold as a protection medium: Effect of porous-nonporous interface on failure evolution

Computational materials science, 2023-09, Vol.228, p.112363, Article 112363

2023

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Theoretical analysis of oscillatory terms in lattice heat-current time correlation functions and their contributions to thermal conductivity

Physical review. B, 2018-03, Vol.97 (10), Article 104308

2018

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A molecular dynamics simulation study of thermal conductivity anisotropy in β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (β-HMX)

Modelling and simulation in materials science and engineering, 2020-03, Vol.28 (2), p.25008

2020

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Continuum models for meso-scale simulations of HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazocane) guided by molecular dynamics: Pore collapse, shear bands, and hotspot temperature

Journal of applied physics, 2024-09, Vol.136 (11)

2024

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Johnson–Cook yield functions for cyclotetramethylene-tetranitramine (HMX) and cyclotrimethylene-trinitramine (RDX) derived from single crystal plasticity models

Journal of applied physics, 2024-04, Vol.135 (14)

2024

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Head‐To‐Head Comparison of Molecular and Continuum Simulations of Shock‐Induced Collapse of an Elongated Pore in an Energetic Molecular Crystal

Propellants, explosives, pyrotechnics, 2022-08, Vol.47 (8), p.n/a

2022

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Effects of high shock pressures and pore morphology on hot spot mechanisms in HMX

AIP Conference Proceedings, 2017, Vol.1793 (1)

2017

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Predicted melt curve and liquid-state transport properties of TATB from molecular dynamics simulations

Molecular simulation, 2018-05, Vol.44 (8), p.613-622

2018

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Correlated Molecular Orbital Theory Study of the Al + CO2 Reaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-01, Vol.122 (3), p.859-868

2018

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Comparative investigation of shear-band evolution using discrete and continuum-based particle methods

Acta geotechnica, 2021-08, Vol.16 (8), p.2337-2354

2021

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High strain rate characterization of polymers

AIP Conference Proceedings, 2017, Vol.1793 (1)

2017

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Multiscale Theory, Simulation, and Experiment in Energetic Materials: Getting Right Answers for Correct Reasons

Propellants, explosives, pyrotechnics, 2020-02, Vol.45 (2), p.168-168

2020

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Elastic Coefficients of β-HMX as Functions of Pressure and Temperature from Molecular Dynamics

Molecular Dynamics in Energetic Materials Research

Heat-current filtering for Green–Kubo and Helfand-moment molecular dynamics predictions of thermal conductivity: Application to the organic crystal β-HMX

Thermal conductivity tensor of β‐HMX as a function of pressure and temperature from equilibrium molecular dynamics simulations

Molecular Dynamics Predictions of Shock‐Induced Pore Collapse in (010)‐Oriented β‐HMX: Effects of Sample Thickness and Transverse Orientation, and Run‐To‐Run Variability among Statistically Equivalent Samples

Molecular dynamics-guided material model for the simulation of shock-induced pore collapse in β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (β-HMX)

Tandem Molecular Dynamics and Continuum Studies of Shock‐Induced Pore Collapse in TATB

Strongly Anisotropic Thermomechanical Response to Shock Wave Loading in Oriented Samples of the Triclinic Molecular Crystal 1,3,5-Triamino-2,4,6-trinitrobenzene

Domain partitioning material point method for simulating shock in polycrystalline energetic materials

Pressure‐dependent Elastic Coefficients of β‐HMX from Molecular Simulations

Molecular dynamics inferred transfer learning models for finite‐strain hyperelasticity of monoclinic crystals: Sobolev training and validations against physical constraints

New Nonreactive Force Field for Accurate Molecular Dynamics Simulations of TATB at Extreme Conditions

Featured Cover

Atomistic study of the impact response of bicontinuous nanoporous gold as a protection medium: Effect of porous-nonporous interface on failure evolution

Theoretical analysis of oscillatory terms in lattice heat-current time correlation functions and their contributions to thermal conductivity

A molecular dynamics simulation study of thermal conductivity anisotropy in β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (β-HMX)

Continuum models for meso-scale simulations of HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazocane) guided by molecular dynamics: Pore collapse, shear bands, and hotspot temperature

Johnson–Cook yield functions for cyclotetramethylene-tetranitramine (HMX) and cyclotrimethylene-trinitramine (RDX) derived from single crystal plasticity models

Head‐To‐Head Comparison of Molecular and Continuum Simulations of Shock‐Induced Collapse of an Elongated Pore in an Energetic Molecular Crystal

Effects of high shock pressures and pore morphology on hot spot mechanisms in HMX

Predicted melt curve and liquid-state transport properties of TATB from molecular dynamics simulations

Correlated Molecular Orbital Theory Study of the Al + CO2 Reaction

Comparative investigation of shear-band evolution using discrete and continuum-based particle methods

High strain rate characterization of polymers

Multiscale Theory, Simulation, and Experiment in Energetic Materials: Getting Right Answers for Correct Reasons

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