Research Area
Performance is decided in the microstructure. CECD's manufacturing program builds the computational and experimental tools to design, characterize, and control the structure of energetic and structural materials, from atomic-layer epitaxy through additive synthesis to scalable formulation.
Process classes
Modeled length
Simulation
Materials
Most manufacturing problems are really structure-control problems: which atoms go where, and how the resulting microstructure responds to load. CECD's manufacturing program treats every process as a designed experiment in structure.
Kinetic Monte Carlo and multiscale models of self-assembled InAs/GaAs and InGaN dot island arrays. Predicting density, size, and interlayer correlation.
Folded MoS₂ and HfS₂ as platforms for tunable electron and phonon properties, including a reversible 300 K structural transition in HfS₂.
Resin transfer molding sensitivity analysis, woven-fabric homogenization, and viscoelastic creep modeling for structural composites.
Molecular dynamics of CdTe/ZnTe/Si and (Al)GaN epitaxy. Capturing dislocation networks that govern device performance.
Multiscale simulation of triblock copolymers and polymer membranes for protective clothing and selective transport.
Binding energy and solubility parameters of functionalized gold nanoparticles from atomistic simulation.
A sample of process-modeling and synthesis work that informs how CECD's sponsors design tomorrow's materials.
A low-symmetry polytype of hafnium disulfide accessible at room temperature, opening a new design knob for atomic-layer electronics.
KMC simulations resolve how composition and substrate condition steer dot size and density during self-assembly.
Atomistic determination of solubility parameters for engineering nanoparticle dispersions in polymer matrices.
Manufacturing modeling at CECD is grounded in the same multiscale tooling used in our mechanics and energetic-materials programs.
Scalable 3D KMC for prepatterned growth, quantum-dot island formation, and surface-driven self-assembly.
Asymptotic and computational homogenization for woven-fabric composites and heterogeneous media.
Sensitivity analysis of resin transfer molding and other liquid-composite processes.
ML pipelines that suggest candidate molecules and microstructures for further synthesis.
Inquiries about sponsored research, graduate training, or technology transitions in this area can be directed to the center.