Reactive force fields have enabled an atomic level description of a wide range of
phenomena, from chemistry at extreme conditions to the operation of electrochemical …

Regions of energy localization referred to as hotspots are known to govern shock initiation
and the run-to-detonation in energetic materials. Mounting computational evidence points to …

Shockwave interactions with a material's microstructure localizes energy into hotspots,
which act as nucleation sites for complex processes such as phase transformations and …

Reactive force fields for molecular dynamics have enabled a wide range of studies in
numerous material classes. These force fields are computationally inexpensive compared …

We demonstrate that isomorphically mapping gray-level medical image matrices onto
energy spaces underlying the framework of fast data density functional transform (fDDFT) …

In energetic materials, the localization of energy into “hotspots” is known to dictate the
initiation of chemical reactions and detonation. Recent all-atom simulations have shown that …

2, 6-Diamino-3, 5-dinitropyrazine-1-oxide (LLM-105) is a relatively new and promising
insensitive high-explosive (IHE) material that remains only partially characterized. IHEs are …

Hot spots are local regions of high temperature that are widely considered to govern
explosive initiation. Hot spot dynamics rests on a delicate balance between heat generation …

Atomistic and continuum scale modeling efforts have shown that the shock-induced collapse
of porosity can occur via a wide range of mechanisms dependent on pore morphology, the …

Context Thermal decomposition of 1-methyl-3, 4, 5-trinitropyrazole (MTNP), a melt-cast
explosive, was investigated at different temperatures (2500, 2750, 3000, 3250, and 3500 K) …