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Swan, James W.

Publications and source records attributed to Swan, James W..

Scientific machine learning for modeling and simulating complex fluids

The formulation of rheological constitutive equations—models that relate internal stresses and deformations in complex fluids—is a critical step in the engineering of systems involving soft materials. While data-driven models provide accessible alternatives to expensive first-principles models and less accurate empirical models in many engineering disciplines, the development of similar models for complex fluids has lagged. The diversity of techniques for characterizing non-Newtonian fluid dynamics creates a challenge for classical machine learning approaches, which require uniformly structured training data. Consequently, early machine-learning based constitutive equations have not been portable between different deformation protocols or mechanical observables. Here, we present a data-driven framework that resolves such issues, allowing rheologists to construct learnable models that incorporate essential physical information, while remaining agnostic to details regarding particular experimental protocols or flow kinematics. These scientific machine learning models incorporate a universal approximator within a materially objective tensorial constitutive framework. By construction, these models respect physical constraints, such as frame-invariance and tensor symmetry, required by continuum mechanics. We demonstrate that this framework facilitates the rapid discovery of accurate constitutive equations from limited data and that the learned models may be used to describe more kinematically complex flows. This inherent flexibility admits the application of these “digital fluid twins” to a range of material systems and engineering problems. We illustrate this flexibility by deploying a trained model within a multidimensional computational fluid dynamics simulation—a task that is not achievable using any previously developed data-driven rheological equation of state.

Science & Technology - Other Topics↗

Modeling Electrochemical and Rheological Characteristics of Suspension-Based Electrodes for Redox Flow Cells

Flowable suspension-based electrodes (FSEs) have gained attention in recent years, as the integration of solid materials into electrochemical flow cells can offer improved performance and flexible operation. However, under conditions that engender favorable electrochemical properties (e.g., high particle loading, high conductivity, high surface area), FSEs can exhibit non-Newtonian characteristics that impose large pumping losses and flow-dependent transport rates. These multifaceted trade-offs motivate the use of models to broadly explore scaling relationships and better understand design rules for electrochemical devices. To this end, we present a one-dimensional model, integrating porous electrode theory with FSE rheology as well as flow-dependent electron and mass transport under pressure-driven flow. We study FSE behavior as a function of material properties and operating conditions, identifying key dimensionless groups that describe the underlying physical processes. We assess flow cell performance by quantifying electrode polarization and relative pumping losses, establishing generalized property-performance relationships for FSEs. Importantly, we expound relevant operating regimes—based on a subset of dimensionless groups—that inform practical operating envelopes, ultimately helping to guide FSE and cell engineering for electrochemical systems.

25 ENERGY STORAGE↗