Výsledky vyhledávání - "Sewell, Tommy"

Report

On resolving meso-scale calculations of pore-collapse-generated hotspots in energetic crystals for consistency with atomistic models

Autor: Okafor, Chukwudubem, Herrin, Jacob, Picu, Catalin R., Sewell, Tommy, Brennan, John, Larentzos, James, Udaykumar, H. S.

Meso-scale calculations of pore collapse and hotspot formation in energetic crystals provide closure models to macro-scale hydrocodes for predicting the shock sensitivity of energetic materials. To this end, previous works obtained atomistics-consist

Externí odkaz: http://arxiv.org/abs/2410.22174

Zobrazit plný text záznamu

Report

Thermal conductivity tensor of $\beta$-HMX as a function of pressure and temperature from equilibrium molecular dynamics simulations

Autor: Pereverzev, Andrey, Sewell, Tommy

Publikováno v: Propellants Explos. Pyrotech. 48, e202200345, 2023

We apply the Green-Kubo (G-K) approach to obtain the thermal conductivity tensor of $\beta$-1,3,5,7-tetranitro-1,3,5,7-tetrazocane ($\beta$-HMX) as a function of pressure and temperature from equilibrium molecular dynamics (MD) simulations. Direct ap

Externí odkaz: http://arxiv.org/abs/2309.08563

Zobrazit plný text záznamu

Akademický článek

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.

Autor: Nguyen, Yen Thi, Okafor, Chukwudubem, Zhao, Puhan, Sen, Oishik, Picu, Catalin R., Sewell, Tommy, Udaykumar, H. S.

Publikováno v: Journal of Applied Physics; 9/21/2024, Vol. 136 Issue 11, p1-24, 24p

Zobrazit plný text záznamu

Report

MD-inferred neural network monoclinic finite-strain hyperelasticity models for $\beta$-HMX: Sobolev training and validation against physical constraints

Autor: Vlassis, Nikolaos N., Zhao, Puhan, Ma, Ran, Sewell, Tommy, Sun, WaiChing

We present a machine learning framework to train and validate neural networks to predict the anisotropic elastic response of the monoclinic organic molecular crystal $\beta$-HMX in the geometrical nonlinear regime. A filtered molecular dynamic (MD) s

Externí odkaz: http://arxiv.org/abs/2112.02077

Zobrazit plný text záznamu

Report

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

Autor: Pereverzev, Andrey, Sewell, Tommy

Publikováno v: Int. J. Heat Mass Trans. 188 (2022) 122647

The closely related Green-Kubo and Helfand moment approaches are applied to obtain the thermal conductivity tensor of $\beta$-1,3,5,7-tetranitro-1,3,5,7-tetrazoctane ($\beta$-HMX) at $T=300$ K and $P=1$ atm from equilibrium molecular dynamics (MD) si

Externí odkaz: http://arxiv.org/abs/2110.08914

Zobrazit plný text záznamu