Documents in process

Sodium-ion batteries are considered a promising and sustainable energy-storage technology, yet achieving competitive energy density requires electrode materials with high reversible capacity. Here, we introduce a chemical vapor deposition strategy that allows the growth of uniform, electronically continuous carbon coatings onto highly porous carbon substrates for use as high-capacity negative electrodes. [...]

Water under nanoscale confinement exhibits structural and dynamical states distinct from bulk behavior, yet the role of pore chemistry in governing these states remains insufficiently understood. Herein, the hydration kinetics and molecular-scale fluctuations of water confined within a comprehensive series of MOF-74 metal-organic frameworks incorporating Mg, Ni, Co, and mixed-metal compositions were investigated and compared with those observed in mesoporous MCM-41 silica. [...]

Capillary-driven transport is traditionally attributed to the static pore geometry and wettability. However, the time-dependent surface energy of metal oxides, amplified by the high surface area of porous media, remains a key yet underexplored aspect. [...]

Neural network surrogates have been shown to decrease computational costs of simulations, but often at the risk of unreliable predictions. This work integrates and evaluates multiple epistemic uncertainty quantification methods for a reproduced convolutional autoencoder–recurrent neural network surrogate architecture for molecular data in a coupled spatiotemporal molecular-continuum flow prediction. [...]

The increasing integration of high-performance computing (HPC) resources into data-intensive scientific workflows places new demands on storage systems traditionally developed for grid and distributed computing environments. dCache, a mature, exascale storage system jointly developed by Deutsches Elektronen-Synchrotron (DESY), Fermi National Accelerator Laboratory (FNAL), and the Nordic e-Infrastructure Collaboration (NeIC), has evolved to support a broad range of scientific communities beyond its origins in High-Energy Physics, including astrophysics, Photon science, and AI training. [...]