Related papers: Surface-access limitation in catalytic porous mono…
Porous media are ubiquitous in energy storage and conversion, catalysis, biomechanics, hydrogeology, as well as many other fields. These materials possess high surface-to-volume ratios and their complex channels can restrict and guide the…
Regarding the plasma facing components (PFCs) in nuclear fusion, liquid metal PFCs with stable free surface flow on PFC surface are considered a promising alternative. However, due to the poor wettability of liquid metal on most solid…
High resolution simulations of incompressible flows have become routine across a range of engineering applications. Despite their routine use, due to the high dimensional parameter space present for most practical applications, a…
Computational fluid dynamics (CFD) is increasingly used to study blood flows in patient-specific arteries for understanding certain cardiovascular diseases. The techniques work quite well for relatively simple problems, but need…
Density Functional Theory (DFT) calculations have been widely used to predict the activity of catalysts based on the free energies of reaction intermediates. The incorporation of the state of the catalyst surface under the electrochemical…
A fundamental understanding of plasma-catalyst interactions is important for understanding reaction mechanisms, optimizing the catalyst, and increasing the efficiency of plasma-assisted catalytic process for ammonia (\ce{NH3}) synthesis. We…
Physical Reservoir Computing (PRC) leverages the intrinsic nonlinear dynamics of physical substrates, mechanical, optical, spintronic, and beyond, as fixed computational reservoirs, offering a compelling paradigm for energy-efficient and…
The quantitative characterization of the microstructure of random heterogeneous media in $d$-dimensional Euclidean space $\mathbb{R}^d$ via a variety of $n$-point correlation functions is of great importance, since the respective infinite…
Supported metal nanoparticle (NP) catalysts are vital for the sustainable production of chemicals, but their design and implementation are limited by the ability to identify and characterize their structures and atomic sites that are…
Surface-driven flows are ubiquitous in nature, from subcellular cytoplasmic streaming to organ-scale ciliary arrays. Here, we model how confined geometries can be used to engineer complex hydrodynamic patterns driven by activity prescribed…
The development of supercapacitors is impeded by the unclear relationships between nanoporous electrode structures and electrochemical performance, primarily due to challenges in decoupling the complex interdependencies of various…
Multiparticle collision dynamics (MPCD) is a relatively new algorithm of fluid flow simulations that has been applied mostly to flows around simple objects. One might ask how it behaves in more complex flows. Therefore, we extend MPCD to…
Semipermeable silica membranes are attractive as protective coatings for metal electrocatalysts such as platinum but their impact on the catalytic properties has not been fully understood. Here, we develop a first principles formalism to…
This work presents a high-fidelity computational fluid dynamics (CFD) and data-driven modeling framework for assembly-level flow characterization in a four-loop pressurized water reactor (PWR). A full lower-plenum and core-inlet domain was…
High-entropy alloys are widely modeled as homogeneously mixed surfaces, yet the validity of this assumption for catalytic prediction remains unclear. Here, we reproduce high-throughput experimental measurements using thermodynamic…
The concept and synthesis approach for planar Compliant Fluidic Control Structures (CFCSs), monolithic flexible continua with embedded functional pores, is presented in this manuscript. Such structures are envisioned to find application in…
In this work, an efficient physics-constrained deep learning model is developed for solving multiphase flow in 3D heterogeneous porous media. The model fully leverages the spatial topology predictive capability of convolutional neural…
Mineral dissolution in porous media is classically partitioned into static regimes within the Pe-Da plane, but this framework fails to capture the dissolution behavior of structurally complex rocks. Using three-dimensional micro-continuum…
Internal porosity remains a critical defect mode in additively manufactured components, compromising structural performance and limiting industrial adoption. Automated defect detection methods exist but lack interpretability, preventing…
Phospholipid monolayers at the air-water interface serve as model systems for various biological interfaces, e.g. lung surfactant layers and outer leaflets of cell membranes. Although the dynamical (viscoelastic) properties of these…