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Modules for Experiments in Stellar Astrophysics (MESA; (Paxton2011, 2013, 2015, 2018, 2019, Jermyn 2023) is a widely used open-source software for modelling stellar evolution. In many studies, the computational grids covers thousands of…
A general-purpose computational homogenization framework is proposed for the nonlinear dynamic analysis of membranes exhibiting complex microscale and/or mesoscale heterogeneity characterized by in-plane periodicity that cannot be…
A major challenge in modelling interfacial processes in electrochemical (EC) devices is performing simulations at constant potential. This requires an open-boundary description of the electrons, so that they can enter and leave the…
Numerical homogenization for mechanical multiscale modeling by means of the finite element method (FEM) is an elegant way of obtaining structure-property relations, if the behavior of the constituents of the lower scale is well understood.…
A three-dimensional, space-frequency model for simulation of interaction in free-electron lasers (FELs) is presented. The model utilizes an expansion of the total electromagnetic field (radiation and space-charge waves) in terms of…
Reservoir simulators utilize numerical techniques to solve the governing equations of fluid flow in porous media and they are essential tool for oil and gas fields development. In practical reservoir simulation, the finite difference method…
Liquid ammonia combustion can be enhanced by co-firing with small molecular fuels such as methane, and liquid ammonia will undergo flash evaporation due to its relatively low saturation pressure. These characteristics, involving the…
Thermal Energy Storage (TES) using Phase Change Materials (PCMs) represents a critical technology for sustainable energy management and grid stability. This study presents a novel Physics-Driven Deep Learning (PDDL) framework for modeling…
The Agent Based Model community has a rich and diverse ecosystem of libraries, platforms, and applications to help modelers develop rigorous simulations. Despite this robust and diverse ecosystem, the complexity of life from microbial…
Micro fuel cells ($\mu$-FC) represent promising power sources for portable applications. Today, one of the technological ways to make $\mu$-FC is to have recourse to standard microfabrication techniques used in the fabrication of micro…
The development of materials science is undergoing a shift from empirical approaches to data-driven and algorithm-oriented research paradigm. The state-of-the-art platforms are confined to inorganic crystals, with limited chemical space,…
Regular, automated testing is a foundational principle of modern software development. Numerous widely-used continuous integration systems exist, but they are often not suitable for the unique needs of scientific simulation software. Here…
The modeling and simulation of heat source trajectories through phase-change materials is a relevant problem both for space exploration and for terrestrial climate research, among other fields. In space, the DLR and NASA are both interested…
We present a new approach for the two-temperature molecular dynamics (MD) model for coupled simulations of electronic and phonon heat conduction in nanoscale systems. The proposed method uses a master equation to perform heat conduction of…
In this paper we introduce a mesoscale continuum model for membranes made of two different types of amphiphilic lipids. The model extends work by Peletier and the second author [Arch. Ration. Mech. Anal. 193, 2009] for the one-phase case.…
In this work, we formulate a theoretical model based on a cellular automaton (CA) to study thermal transport in low-dimensional nanostructures across ballistic, diffusive, and transition regimes. Unlike computationally intensive methods…
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…
Tabulated chemistry methods are a well-known strategy to efficiently store the flows thermochemical properties. In particular, the Flamelet-Generated Manifold (FGM) is a widely used technique that generates the database with a small number…
Collisionless trapped-electron mode (CTEM) turbulence is an important contributor to heat and particle transport in fusion devices. The ITG/TEM fluid models are rarely treated analytically, due to the large number of transport channels…
Empirical researchers are usually interested in investigating the impacts of baseline covariates have when uncovering sample heterogeneity and separating samples into more homogeneous groups. However, a considerable number of studies in the…