Computational methods and software for the design of inertial microfluidic flow sculpting devices

The ability to sculpt inertially flowing fluid via bluff body obstacles has enormous promise for applications in bioengineering, chemistry, and manufacturing within microfluidic devices. However, the computational difficulty inherent to full scale 3-dimensional fluid flow simulations makes designing and optimizing such systems tedious, costly, and generally tasked to computational experts with access to high performance resources. The goal of this work is to construct efficient models for the design of inertial microfluidic flow sculpting devices, and implement these models in freely available, user-friendly software for the broader microfluidics community. Two software packages were developed to accomplish this: uFlow and FlowSculpt . uFlow solves the forward problem in flow sculpting, that of predicting the net deformation from an arbitrary sequence of obstacles (pillars), and includes estimations of transverse mass diffusion and particles formed by optical lithography. FlowSculpt solves the more difficult inverse problem in flow sculpting, which is to design a flow sculpting device which produces a target flow shape. Each piece of software uses efficient, experimentally validated forward models developed within this work, which are applied to deep learning techniques to explore other routes to solving the inverse problem. The models are also highly modular, capable of incorporating new microfluidic components and flow physics to the design process. It is anticipated that the microfluidics community will integrate the tools developed here into their own research, and bring new designs, components, and applications to the inertial flow sculpting platform

Optimization of micropillar sequences for fluid flow sculpting

Inertial fluid flow deformation around pillars in a microchannel is a new method for controlling fluid flow. Sequences of pillars have been shown to produce a rich phase space with a wide variety of flow transformations. Previous work has successfully demonstrated manual design of pillar sequences to achieve desired transformations of the flow cross-section, with experimental validation. However, such a method is not ideal for seeking out complex sculpted shapes as the search space quickly becomes too large for efficient manual discovery. We explore fast, automated optimization methods to solve this problem. We formulate the inertial flow physics in microchannels with different micropillar configurations as a set of state transition matrix operations. These state transition matrices are constructed from experimentally validated streamtraces. This facilitates modeling the effect of a sequence of micropillars as nested matrix-matrix products, which have very efficient numerical implementations. With this new forward model, arbitrary micropillar sequences can be rapidly simulated with various inlet configurations, allowing optimization routines quick access to a large search space. We integrate this framework with the genetic algorithm and showcase its applicability by designing micropillar sequences for various useful transformations. We computationally discover micropillar sequences for complex transformations that are substantially shorter than manually designed sequences. We also determine sequences for novel transformations that were difficult to manually design. Finally, we experimentally validate these computational designs by fabricating devices and comparing predictions with the results from confocal microscopy

Optimized design of obstacle sequences for microfluidic mixing in an inertial regime

Mixing is a basic but challenging step to achieve in high throughput microfluidic applications such as organic synthesis or production of particles. A common approach to improve micromixer performance is to devise a single component that enhances mixing through optimal convection, and then sequence multiple such units back-to-back to enhance overall mixing at the end of the sequence. However, the mixing units are often optimized only for the initial non-mixed fluid composition, which is no longer the input condition for each subsequent unit. Thus, there is no guarantee that simply repeating a single mixing unit will achieve optimally mixed fluid flow at the end of the sequence. In this work, we analyzed sequences of 20 cylindrical obstacles, or pillars, to optimize the mixing in the inertial regime (where mixing is more difficult due to higher Péclet number) by managing their interdependent convection operations on the composition of the fluid. Exploiting a software for microfluidic design optimization called FlowSculpt, we predicted and optimized the interfacial stretching of two co-flowing fluids, neglecting diffusive effects. We were able to quickly design three different optimal pillar sequences through a space of 32^(20) possible combinations of pillars. As proof of concept, we tested the new passive mixer designs using confocal microscopy and full 3D CFD simulations for high Péclet numbers (Pe ≈O(10^(5-6)), observing fluid flow shape and mixing index at several cross-sections, reaching mixing efficiencies around 80%. Furthermore, we investigated the effect of the inter-pillar spacing on the most optimal design, quantifying the tradeoff between mixing performance and hydraulic resistance. These micromixer designs and the framework for the design in inertial regimes can be used for various applications, such as lipid nanoparticle fabrication which has been of great importance in vaccine scale up during the pandemic