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The central approximation made in classical molecular dynamics simulation of materials is the interatomic potential used to calculate the forces on the atoms. Great effort and ingenuity is required to construct viable functional forms and…
We presents an approach for early cycle classification of lithium-ion batteries into high and low-performing categories, coupled with the prediction of their remaining useful life (RUL) using a linear lasso technique. Traditional methods…
Real-time simulation of elastic structures is essential in many applications, from computer-guided surgical interventions to interactive design in mechanical engineering. The Finite Element Method is often used as the numerical method of…
We present a simulation workflow for efficient investigations of the interplay between 3D lithium-ion electrode microstructures and electrochemical performance, with emphasis on lithium plating. Our approach addresses several challenges.…
Accurate prediction of the Remaining Useful Life (RUL) is essential for enabling timely maintenance of lithium-ion batteries, impacting the operational efficiency of electric applications that rely on them. This paper proposes a RUL…
Simulating dynamics of physical systems is a key application of quantum computing, with potential impact in fields such as condensed matter physics and quantum chemistry. However, current quantum algorithms for Hamiltonian simulation yield…
The precision, stability, and performance of lightweight high-strength steel structures in heavy machinery is affected by their highly nonlinear dynamics. This, in turn, makes control more difficult, simulation more computationally…
Machine learning is rapidly making its path into natural sciences, including high-energy physics. We present the first study that infers, directly from experimental data, a functional form of fragmentation functions. The latter represent a…
Rechargeable lithium-ion (Li-ion) batteries are a ubiquitous element of modern technology. In the last decades, the production and design of such batteries and their adjacent embedded charging and safety protocols, denoted by Battery…
We discover many new crystalline solid materials with fast single crystal Li ion conductivity at room temperature, discovered through density functional theory simulations guided by machine learning-based methods. The discovery of new solid…
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…
Slurry electrodes are an effective means to improve flow battery performance by reducing electrode fouling and increasing the active surface area necessary for electrochemical reactions. It is critical to understand how the slurry…
Battery short-term electrical impedance behavior varies between linear, linear time-varying, or nonlinear at different operating conditions. Data-based electrical impedance modeling techniques often model the battery as a linear…
Forecasting production reliably and anticipating changes in the behavior of rock-fluid systems are the main challenges in petroleum reservoir engineering. This project proposes to deal with this problem through a data-driven approach and…
Advancing lithium-ion batteries (LIBs) in both design and usage is key to promoting electrification in the coming decades to mitigate human-caused climate change. Inadequate understanding of LIB degradation is an important bottleneck that…
Solid-state electrolytes (SSEs) are attractive for next-generation lithium-ion batteries due to improved safety and stability but their low room-temperature ionic conductivity hinders practical application. Experimental synthesis and…
Hydraulic systems are widely utilized in industrial applications due to their high force generation, precise control, and ability to function in harsh environments. Hydraulic cylinders, as actuators in these systems, apply force and…
Accurately identifying the parameters of electrochemical models of li-ion battery (LiB) cells is a critical task for enhancing the fidelity and predictive ability. Traditional parameter identification methods often require extensive data…
Predicting the end-of-life (EOL) of lithium-ion batteries across different manufacturers presents significant challenges due to variations in electrode materials, manufacturing processes, cell formats, and a lack of generally available…
Machine learning (ML) enables the development of interatomic potentials that promise the accuracy of first principles methods while retaining the low cost and parallel efficiency of empirical potentials. While ML potentials traditionally…