Multiscale Modeling and High-Performance Materials
The Multiscale Modeling and High-Performance Materials cluster specializes in computational modeling and materials innovation across molecular, microstructural, and continuum scales. It leverages molecular dynamics and high-fidelity fluid/thermal/mechanical simulations to predict behavior, performance, and manufacturability of advanced materials. By linking processing conditions to structure-property relationships, the cluster enables design of materials tailored for demanding applications. This approach supports breakthroughs in next-generation materials and manufacturing processes.
A distinguishing strength is simulation-enabled manufacturing—using models to reduce trial-and-error and accelerate process development. The cluster advances multiphysics modeling for manufacturing (e.g., heat transfer, flow, deformation, residual stress) and couples modeling with data-driven calibration where appropriate. Research spans protective systems, energy materials, hybrid machining, and nanoscale/molecular design. These capabilities help de-risk scale-up and improve reliability in materials and process innovation.
Represenative Research Topics:
-
Molecular dynamics and nanoscale modeling of polymers, metals, and hybrid materials
-
Multiphysics simulation of manufacturing processes (thermal/flow/mechanical coupling)
-
Process–structure–property modeling for additive and hybrid manufacturing
-
Bio-inspired protective materials (e.g., armor architectures and impact mitigation modeling)
-
Modeling and design of energy systems materials (e.g., fuel-cell related thermal/transport behavior)
.
Group Members
Zhaohui Wang, Assistant Professor, Computer Systems Technology - zwang3@ncat.edu
David Schall, Associate Professor, Mechanical Engineering - jschall@ncat.edu
Troy Purdom, Assistant Professor, Kinesiology- tpurdom@ncat.edu
Gerard G. Dumancas, Professor, Chemistry - ggdumancas@ncat.edu
