4 papers
Practical Insights to Thin Film Dewetting
Karim Gadelrab, Stefan Reimann-Zitz
Thin liquid films exhibit rich instability and rupture dynamics that critically impact coating performance across many applications. In this work, we use the lattice Boltzmann meth…
Mixture of Experts Framework in Machine Learning Interatomic Potentials for Atomistic Simulations
Gabriel de Miranda Nascimento, Marc L. Descoteaux, Laura Zichi +9
First-principles atomistic simulations are essential for understanding complex material phenomena but are fundamentally limited by their computational cost. While Machine Learning…
Atomistic modeling of the hygromechanical properties of amorphous Polyamide 6,6
Karim Gadelrab, Armin Kech, Camilo Cruz
Polyamide 6,6 (PA66) is a key engineering polymer, whose unique mechanical properties arise from strong interchain hydrogen bonding. However, its hygroscopic nature makes it highly…
Polymer Composites Informatics for Flammability, Thermal, Mechanical and Electrical Property Predictions
Huan Tran, Chiho Kim, Rishi Gurnani +8
Polymer composite performance depends significantly on the polymer matrix, additives, processing conditions, and measurement setups. Traditional physics-based optimization methods…