6 citations · 14 across the 7 of their papers we have counts for
8 papers
The Open Polymers 2026 (OPoly26) Dataset and Evaluations
Daniel S. Levine, Nicholas Liesen, Lauren Chua +12
Polymers-macromolecular systems composed of repeating chemical units-constitute the molecular foundation of living organisms, while their synthetic counterparts drive transformativ…
Modeling Framework to Predict Melting Dynamics at Microstructural Defects in TNT-HMX High Explosive Composites
Ethan Holbrook, Matthew P. Kroonblawd, Brenden W. Hamilton +2
Many high explosive (HE) formulations are composite materials whose microstructure is understood to impact functional characteristics. Interfaces are known to mediate the formation…
Intergranular Hotspots: A Molecular Dynamics Study on the Influence of Compressive and Shear Work
Brenden W. Hamilton, Matthew P. Kroonblawd, Jalen Macatangay +2
Numerous crystal- and microstructural-level mechanisms are at play in the formation of hotspots, which are known to govern high explosive initiation behavior. Most of these mechani…
Extemporaneous Mechanochemistry: Shockwave Induced Ultrafast Chemical Reactions Due to Intramolecular Strain Energy
Brenden W. Hamilton, Matthew P. Kroonblawd, Alejandro Strachan
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…
The Potential Energy Hotspot: Effects from Impact Velocity, Defect Geometry, and Crystallographic Orientation
Brenden W. Hamilton, Matthew P. Kroonblawd, Alejandro Strachan
In energetic materials, the localization of energy into "hotspots" when a shock wave interacts with the material's microstructure is known to dictate the initiation of chemical rea…
A Hotspots Better Half: Non-Equilibrium Intra-Molecular Strain in Shock Physics
Brenden W. Hamilton, Matthew P. Kroonblawd, Chunyu Li +1
Shockwave interactions with material microstructure localizes energy into hotspots, which act as nucleation sites for complex processes such as phase transformations and chemical r…
Detonation-induced transformation of graphite to hexagonal diamond
Elissaios Stavrou, Michael Bagge-Hansen, Joshua A. Hammons +20
We explore the structural evolution of highly oriented pyrolytic graphite (HOPG) under detonation-induced shock conditions using in-situ synchrotron X-ray diffraction in the ns tim…
Task-based Parallel Computation of the Density Matrix in Quantum-based Molecular Dynamics using Graph Partitioning
Purnima Ghale, Matthew P. Kroonblawd, Susan M. Mniszewski +6
Quantum-based molecular dynamics (QMD) is a highly accurate and transferable method for material science simulations. However, the time scales and system sizes accessible to QMD ar…