28 citations · 55 across the 16 of their papers we have counts for
19 papers
Polymer-Mediated Hotspot Evolution in Shock-Induced Pore Collapse in 1,3,5,7-Tetranitro-1,3,5,7-tetrazocane (HMX)-based Explosives
Jalen Macatangay, Brenden W. Hamilton, Alejandro Strachan
The initiation of detonation in high explosives (HEs) under shock loading is strongly influenced by the collapse of porosity and the subsequent formation of hotspots. As these mate…
Bridging Molecular Scales with Implicit Score Matching for Bottom-Up Coarse Graining
Patrick G. Sahrmann, Nicholas Lubbers, Benjamin T. Nebgen +4
Molecular dynamics simulations provide a computational microscope for atomic scale processes but remain restricted to relatively small spatial and temporal scales. Coarse-grained m…
A Theoretical Framework for the Coupling of Macroscale-Nanoscale Mechanochemical Phenomena in Condensed Matter
Brenden W Hamilton
The field of covalent mechanochemistry has transitioned from fundamental science to engineering applications, yet it lacks a robust theoretical framework for predicting reaction ki…
Learning Thermal Response Forces: A Method for Extending the Thermodynamic Transferability of Coarse-Grained Models via Machine-Learning
Patrick G. Sahrmann, Benjamin T. Nebgen, Kipton Barros +1
Machine-learned (ML) coarse-grained (CG) models are a promising tool for significantly enhancing the efficiency of molecular simulations by systematically removing degrees of freed…
Stoichiometry Dependent Properties of Cerium Hydride: An Active Learning Developed Interatomic Potential Study
Brenden W. Hamilton, Travis E. Jones, Timothy C. Germann +1
Cerium hydride has a variety of interesting properties, including a known lattice contraction and densification with increasing hydrogen content. However, precise stoichiometric co…
Mott vs Kondo: Influence of Various Density Functional Based Methods on the Ce Isostructural Phase Transition Mechanism
Brenden W. Hamilton, Alexander R. Muñoz, Travis E. Jones +1
The cerium iso-structural phase transition (gamma to alpha) is dominated by f-electron localization changes that results in a magnetic ordering change and a volume collapse. Genera…
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…
High Pressure Suppression of Plasticity due to Over-Nucleation of Shear Strain
Brenden W. Hamilton, Timothy C. Germann
High pressure shear band formation is a critical phenomenon in energetic materials due to its influence on both mechanical strength and mechanochemical activation. While shear band…
Using Limited Neural Networks to Assess Relative Mechanistic Influence on Shock Heating in Granular Solids
Brenden W Hamilton, Timothy C. Germann
The rapid compaction of granular media results in localized heating that can induce chemical reactions, phase transformations, and melting. However, there are numerous mechanisms i…
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…
High Pressure and Temperature Neural Network Reactive Force Field for Energetic Materials
Brenden W. Hamilton, Pilsun Yoo, Michael N. Sakano +2
Reactive force fields for molecular dynamics have enabled a wide range of studies in numerous material classes. These force fields are computationally inexpensive as compared to el…
Interplay of Mechanochemistry and Material Processes in the Graphite to Diamond Phase Transformation
Brenden W. Hamilton, Timothy C. Germann
he manifestation of intra-molecular strains in covalent systems is widely known to accelerate chemical reactions and open alternative reaction paths. This process is moderately und…
Rapid Activation of Non-Oriented Mechanophores via Shock Loading and Spallation
Brenden W. Hamilton, Alejandro Strachan
Mechanophores, stimuli-responsive molecules that respond chromatically to mechanochemical reactions, are important for understanding the coupling between mechanics and chemistry as…
Energy Localization Efficiency in TATB Pore Collapse Mechanisms
Brenden W. Hamilton, Timothy C. Germann
Atomistic and continuum scale modeling efforts have shown that shock induced collapse of porosity can occur via a wide range of mechanisms dependent on pore morphology, shockwave p…
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…
Deviatoric Stress Driven Transient Melting Below the Glass Transition Temperature in Shocked Polymers
Jalen Macatangay, Brenden W. Hamilton, Alejandro Strachan
The relaxation of polymers around and below their glass transition temperature is governed by a range of correlated unit processes with a wide range of timescales. The fast deforma…
Systematic Builder for All-Atom Simulations of Plastically Bonded Explosives
Chunyu Li, Brenden W Hamilton, Tongtong Shen +2
The shock to detonation transition in heterogeneous plastically bonded explosives is dominated by energy localization into hotspots that arise from the interaction of the shockwave…
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…