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The compositional model is often used to describe multicomponent multiphase porous media flows in the petroleum industry. The fully implicit method with strong stability and weak constraints on time-step sizes is commonly used in the…
Ensuring solid-state lithium batteries perform well across a wide temperature range is crucial for their practical use. Molecular dynamics (MD) simulations can provide valuable insights into the temperature dependence of the battery…
In recent years there has been a major interest in developing all solid state batteries, for the sake of safety (issues due to toxic and flammable organic liquid electrolytes are well known) as well as of high energy density…
In this work, we show how Gibbs or thermal states appear dynamically in closed quantum many-body systems, building on the program of dynamical typicality. We introduce a novel perturbation theorem for physically relevant weak system-bath…
This paper describes an efficient and nonlinearly consistent parallel solution methodology for solving coupled nonlinear thermal transport problems that occur in nuclear reactor applications over hundreds of individual 3D physical…
Quantum simulators have recently enabled experimental observations of quantum many-body systems' internal thermalization. Often, the global energy and particle number are conserved, and the system is prepared with a well-defined particle…
While two-level systems (TLS) in superconducting qubits are known to introduce phonon-mediated energy dissipation channels, many-body TLS systems themselves can also act as a distinct dissipation channel whose effect on qubit energy…
Accurate analytical and numerical modeling of multiscale systems is a daunting task. The need to properly resolve spatial and temporal scales spanning multiple orders of magnitude pushes the limits of both our theoretical models as well as…
High-temperature solid oxide electrolysis cells (SOECs) are a potential core power-to-X (P2X) technology due to their unparalleled system efficiencies, that can exceed 85 % when excess heat from exothermic downstream processes is available.…
As integrated circuits become increasingly complex, the demand for efficient and accurate simulation solvers continues to rise. Traditional solvers often struggle with large-scale sparse systems, leading to prolonged simulation times and…
This paper presents the development of machine learning-enabled data-driven models for effective capacity predictions for lithium-ion batteries under different cyclic conditions. To achieve this, a model structure is first proposed with the…
The control of a battery thermal management system (BTMS) is essential for the thermal safety, energy efficiency, and durability of electric vehicles (EVs) in hot weather. To address the battery cooling optimization problem, this paper…
The coupling of two-level quantum systems to the thermal environment is a fundamental problem, with applications ranging from qubit state preparation to spin models. However, for the elementary problem of the thermodynamics of an ensemble…
Thermal operations are a generic description for allowed state transitions under thermodynamic restrictions. However, the quest for simpler methods to encompass all these processes remains unfulfilled. We resolve this challenge through the…
Preparing ground states and thermal states is essential for simulating quantum systems on quantum computers. Despite the hope for practical quantum advantage in quantum simulation, popular state preparation approaches have been challenged.…
Thermal machines perform useful tasks--such as producing work, cooling, or heating--by exchanging energy, and possibly additional conserved quantities such as particles, with reservoirs. Here we consider thermal machines that perform more…
Cell inconsistency within a lithium-ion battery system poses a significant challenge in maximizing the system operational time. This study presents an optimization-driven active balancing method to minimize the effects of cell inconsistency…
Experimental multi-scalar measurements in laboratory flames have provided important databases for the validation of turbulent combustion closure models. In this work, we present a framework for data-based closure in turbulent combustion and…
We employ adaptive mesh refinement, implicit time stepping, a nonlinear multigrid solver and parallel computation, to solve a multi-scale, time dependent, three dimensional, nonlinear set of coupled partial differential equations for three…
In this article we propose and numerically implement a mathematical model for the simulation of three-dimensional semiconductor devices characterized by an heterogeneous material structure. The model consists of a system of nonlinearly…