8 citations · 9 across the 3 of their papers we have counts for
3 papers
Nuclear Quantum Effects in Multi-Step Condensed Matter Chemistry: A Path Integral Molecular Dynamics Study of Thermal Decomposition
Jalen Macatangay, Alejandro Strachan
Nuclear quantum effects (NQEs) are often central to a predictive understanding of chemical reactions and rates. While their incorporation in gas-phase reactions is well established…
Influence of Polymer on Shock-Induced Pore Collapse: Hotspot Criticality through Reactive Molecular Dynamics
Jalen Macatangay, Chunyu Li, Alejandro Strachan
The shock initiation of energetic materials is mediated by the localization of mechanical energy into hotspots. These originate through the interaction of the shock and material mi…
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…