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Computational Tools for the Unit Operations of Nanomanufacturing
R.T. Bonnecaze
The University of Texas at Austin, US
Keywords: nanomanufacturing, modeling, roll-to-roll, directed self-assembly, nanosculpting
Summary:
Scalable and cost-effective manufacturing of nano-enabled devices will require modular unit operations that can be arranged in specific process flows for different devices. The utility of this approach is illustrated by its success in chemical manufacturing where virtually limitless chemical products are made at any scale from unit operations, such as pumps, pipes, reactors and separators. These chemical unit operations are well-understood and simulation tools enable design and optimization in silico to mitigate risk and lower cost before construction of a production facility. Like chemical plants, nanomanufacturing facilities will be composed of unit operations that will involve 3D patterning, nanometer and atomically thin film transfer, and directed self-assembly of functional nanoparticles and polymers, among other processes. We present an initial list of these unit operations and discuss the needs and opportunities for modeling and simulating them. We also present detailed results for simulation tools for: 1) roll-to-roll transfer of graphene/2D materials; 2) directed self-assembly of spherical and rectangular nanoparticles; 3) nanosculpting of 3D multi-tiered patterns. These examples illustrate the power of the unit operation concept coupled with simulations for the development and evaluation of nanomanufacturing systems.
