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This study investigates interlayer diffusion dynamics in sodium montmorillonite (Na--MMT), a smectite clay widely used in environmental remediation, pharmaceutical formulations, and advanced materials. Understanding diffusion in Na--MMT is…
Candidates for random network media include, e.g., systems consisting of long, flexible macromolecules cross-linked (i.e., permanently bonded) together at random to form the network. Owing to the random architecture, the characteristics of…
Multimodal large language models (MLLMs) have heterogeneous strengths across OCR, chart understanding, spatial reasoning, visual question answering, cost, and latency. Effective MLLM routing therefore requires more than estimating query…
The occurrence of extremely thin concentration boundary layers at fluid interfaces for high local P\'eclet numbers is a severe obstacle for efficient and accurate numerical simulation of mass transfer processes in two-phase fluid systems.…
This work presents a large language model (LLM)-based agent OpenFOAMGPT tailored for OpenFOAM-centric computational fluid dynamics (CFD) simulations, leveraging two foundation models from OpenAI: the GPT-4o and a chain-of-thought…
Understanding the dynamics of phase boundaries in fluids requires quantitative knowledge about the microscale processes at the interface. We consider the sharp-interface motion of compressible two-component flow, and propose a heterogeneous…
This paper presents a framework to enable a team of heterogeneous mobile robots to model and sense a multiscale system. We propose a coupled strategy, where robots of one type collect high-fidelity measurements at a slow time scale and…
This study refutes the premise that the distribution of flow speeds in complex porous media can be described by a simple function such as a normal or exponential variation. In many complex porous media, including those relevant for…
Scalable and efficient numerical simulations continue to gain importance, as computation is firmly established as the third pillar of discovery, alongside theory and experiment. Meanwhile, the performance of computing hardware grows through…
The development of Machine Learning (ML) methods for Computational Fluid Dynamics (CFD) is currently limited by the lack of openly available training data. This paper presents a new open-source dataset comprising of high fidelity,…
As the design of single-component battery electrodes has matured, the battery industry has turned to hybrid electrodes with blends of two or more active materials to enhance battery performance. Leveraging the best properties of each…
Synthetic molecular communication (MC) in the cardiovascular system is a key enabler for many envisioned medical applications inside the human body, such as targeted drug delivery, early disease detection, and continuous health monitoring.…
To facilitate the understanding and to quantitatively assess the material transport in fluids, a modern characterisation method has emerged in fluid dynamics in the last decades footed in dynamical systems theory. It allows to examine the…
Note: The final version of this article was published in Computers and Geosciences, Volume 206, January 2026, 106038. DOI: 10.1016/j.cageo.2025.106038. Readers should refer to the published version for the most up-to-date content.…
With many frameworks based on message passing neural networks proposed to predict molecular and bulk properties, machine learning methods have tremendously shifted the paradigms of computational sciences underpinning physics, material…
The pseudopotential lattice Boltzmann method (LBM) is a prominent approach for simulating multiphase flows, valued for its physical intuitiveness and computational tractability. However, existing immiscible pseudopotential methods for…
Turbulent flow over permeable interface is omnipresent featuring complex flow topology. In this work, a data driven, end to end machine learning model has been developed to model the turbulent flow in porous media. For the same, we have…
A general 3D flow-and-transport model in porous media is derived using an axiomatic continuum-mechanics approach and implemented with the finite element method to simulate microbial enhanced oil recovery (MEOR) at core scale under…
In this paper, a thermal-dynamical consistent model for mass transfer across permeable moving interfaces is proposed by using the energy variation method. We consider a restricted diffusion problem where the flux across the interface…
This article presents a systematic methodology for modeling a class of flexible multidimensional mechanical structures defined by linear elastic relations that directly allows to obtain their infinite-dimensional port-Hamiltonian…