Timothy C. Germann
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Surface and sub-surface porosity effects on the initial free surface expansion in shocked single crystal aluminum Open
Defects and roughness at a material’s surface can allow for the formation of a material jet when a shockwave reaches a surface. The formation of a jet can lead to significant material damage of the shocked material, as well as the downstre…
Simulating nationwide coupled disease and fear spread in an agent-based model Open
Human cognitive responses, behavioral responses, and disease dynamics co-evolve over the course of any disease outbreak, and can result in complex feedbacks. We present a dynamic agent-based model that explicitly couples the spread of dise…
Why population heterogeneity matters for modelling infectious diseases Open
The COVID-19 pandemic highlighted significant differences in infectious disease burden among sociodemographic groups in the United States, underscoring the need for modelling approaches that can capture the complex dynamics driving these h…
Quantifying the Effect of Pore‐Size Dependent Wettability on Relative Permeabilities Using Lattice Boltzmann Simulation Open
Relative permeability is a crucial two‐phase property in porous media that can be significantly impacted by wettability conditions. While traditional research has predominantly examined homogeneous wettability, this work explores the less …
Data for: "Simulating nationwide coupled disease and fear spread in an agent based model" Open
This record contains the data to be publicly released in order to support the publication of the paper "Simulating nationwide coupled disease and fear spread in an agent based model". These data consist of binary output files from EpiCast,…
Epicast 2.0: A large-scale, demographically detailed, agent-based model for simulating respiratory pathogen spread in the United States Open
The recent history of respiratory pathogen epidemics, including those caused by influenza and SARS-CoV-2, has highlighted the urgent need for advanced modeling approaches that can accurately capture heterogeneous disease dynamics and outco…
View article: Molecular Insights into Geochemical Reactions of Iron-Bearing Minerals: Implications for Hydrogen Geo-Storage
Molecular Insights into Geochemical Reactions of Iron-Bearing Minerals: Implications for Hydrogen Geo-Storage Open
Here, this study investigates the reaction of hydrogen (H2) with pyrite (FeS2), focusing on how temperature and the presence of water influence the reaction pathways and kinetics. Utilizing computational molecular simulations and kinetic a…
Hydrogen Diffusion in Slit Pores: Role of Temperature, Pressure, Confinement, and Roughness Open
Diffusion of hydrogen (H2) is important to understand the leakage risk and transport behavior for H2 geologic storage. We applied molecular dynamics simulations to investigate the influencing factors of H2 diffusion in the slit pores of ca…
View article: ECP libraries and tools: An overview
ECP libraries and tools: An overview Open
The Exascale Computing Project (ECP) Software Technology and Co-Design teams addressed the growing complexities in high-performance computing (HPC) by developing scalable software libraries and tools that leverage exascale system capabilit…
High pressure suppression of plasticity due to an overabundance of shear embryo formation Open
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 banding is known to occur in a variety of these materials, the …
Pore‐Scale Modeling of Carbon Dioxide and Hydrogen Transport During Geologic Gas Storage Open
Geologic storage of CO 2 and H 2 are climate‐positive techniques for meeting the energy transition. While similar formations could be considered for both gases, the flow dynamics could differ due to differences in their thermophysical prop…
High Pressure Suppression of Plasticity due to Over-Nucleation of Shear Strain Open
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 banding is know to occur in a variety of these materials, the g…
View article: Shock compression and spallation of single crystal tantalum
Shock compression and spallation of single crystal tantalum Open
We present molecular dynamics simulations of shock-induced plasticity and spall damage in single crystal Ta described by a recently developed embedded-atom-method (EAM) potential and a volumedependent qEAM potential. We use impact or Hugon…