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Grazing Incidence X-ray Diffraction (GIXD) studies of monolayers of biomolecules at the air-water interface give quantitative information of in-plane packing, coherence lengths of the ordered diffracting crystalline domains and the…

A multiphysics modeling approach for heat conduction in metal hydride powders is presented, including particle shape distribution, size distribution, granular packing structure, and effective thermal conductivity. A statistical geometric…

Soft Condensed Matter · Physics 2014-11-03 Kyle C. Smith , Timothy S. Fisher

Directed, long-range and self-propelled transport of droplets on solid surfaces, especially on water repellent surfaces, is crucial for many applications from water harvesting to bio-analytical devices. One appealing strategy to achieve the…

Graphene functionalized with catalytic transition metals offers high-performance gas sensing by coupling graphene's exceptional electronic transport properties with the metal's catalytic activity, yet the atomistic relationships connecting…

Materials Science · Physics 2025-05-29 Akram Ibrahim , Ahmed M. Hafez , Mahmooda Sultana , Can Ataca

Developing new metal hydrides is a critical step toward efficient hydrogen storage in carbon-neutral energy systems. However, existing materials databases, such as the Materials Project, contain a limited number of well-characterized…

Machine Learning · Computer Science 2026-01-30 Xiyuan Liu , Christian Hacker , Shengnian Wang , Yuhua Duan

Corrosion testing is slow, labor-intensive, and sensitive to operator technique, limiting the generation of large, high-quality datasets for data-driven materials discovery. The Materials Acceleration Platform for Electrochemistry (MAP-E)…

Energy-based models for discrete domains, such as graphs, explicitly capture relative likelihoods, naturally enabling composable probabilistic inference tasks like conditional generation or enforcing constraints at test-time. However,…

We combine state-of-the-art thermo-metallurgical welding process modelling with coupled diffusion-elastic-plastic phase field fracture simulations to predict the failure states of hydrogen transport pipelines. This enables quantitatively…

Computational Engineering, Finance, and Science · Computer Science 2025-06-24 J. Wijnen , J. Parker , M. Gagliano , E. Martínez-Pañeda

This study presents a comprehensive a priori analysis of tabulated-chemistry models for both laminar and turbulent lean premixed hydrogen flames in strained counterflow configuration. Particular focus is drawn on differential and…

The sine-Gordon model is a paradigmatic quantum field theory that provides the low-energy effective description of many gapped 1D systems. Despite this fact, its complete thermodynamic description in all its regimes has been lacking. Here…

Strongly Correlated Electrons · Physics 2024-09-27 Botond C. Nagy , Márton Kormos , Gábor Takács

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…

Fluid Dynamics · Physics 2024-11-21 Alessandro Ballatore , Diego Quan Reyes , Hesheng Bao , Jeroen van Oijen

We have developed a novel technique for the measurement of the size of avalanche fluctuations of gaseous detectors using a gating device (gating foil) prepared for the time projection chamber in the international linear collider experiment…

We measure the flow of water through mixed packings of glass spheres and soft swellable hydrogel grains, at constant sample volume. Permeability values are obtained at constant sample volume and at porosities smaller than random close…

Soft Condensed Matter · Physics 2011-03-23 Emilie Verneuil , Douglas J. Durian

A novel concept of membrane process in thermal-driven system is proposed for water desalination. By means of molecular dynamics simulations, we show fast water transport through graphene galleries at a temperature gradient. Water molecules…

Soft Condensed Matter · Physics 2018-10-29 Bo Chen , Haifeng Jiang , Huidong Liu , Kang Liu , Xiang Liu , Xuejiao Hu

The low-pressure stabilization of superconducting hydrides with high critical temperatures ($T_c$s) remains a significant challenge, and experimentally verified superconducting hydrides are generally constrained to a limited number of…

Gas separation using polymer membranes promises to dramatically drive down the energy, carbon, and water intensity of traditional thermally driven separation, but developing the membrane materials is challenging. Here, we demonstrate a…

Materials Science · Physics 2024-11-20 Jiaxin Xu , Agboola Suleiman , Gang Liu , Michael Perez , Renzheng Zhang , Meng Jiang , Ruilan Guo , Tengfei Luo

This study presents a systematic analysis of the capabilities of a flamelet model based on Flamelet Generated Manifolds (FGM) to reproduce preferential diffusion effects in partially premixed hydrogen flames. Detailed transport effects are…

Fluid Dynamics · Physics 2023-12-05 Eduardo Javier Pérez-Sánchez , Emiliano Manuel Fortes , Daniel Mira

In this study, we present the development and application of the physics-informed convolutional decoder (PICD) framework for inverse modeling of heterogenous groundwater flow. PICD stands out as a direct inversion method, eliminating the…

Geophysics · Physics 2024-01-17 Nanzhe Wang , Xiang-Zhao Kong , Dongxiao Zhang

Galliumnitride has become a strategic superior material for space, defense and civil applications, primarily for power amplification at RF and mm-wave frequencies. For AlGaN/GaN high electron mobility transistors (HEMT), an outstanding…

Materials Science · Physics 2007-09-13 J. Das , H. Oprins , H. Ji , A. Sarua , W. Ruythooren , J. Derluyn , M. Kuball , M. Germain , G. Borghs

Gravel-river beds typically have an "armored" layer of coarse grains on the surface, which acts to protect finer particles underneath from erosion. River bed-load transport is a kind of dense granular flow, and such flows are known to…