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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Rb + Adsorption at the Quartz(101)–Aqueous Interface: Comparison of Resonant Anomalous X-ray Reflectivity with ab Initio Calculations
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Copper-zirconia interfaces in UiO-66 enable selective catalytic hydrogenation of CO 2 to methanol
Molecular interactions with both oxides and metals are essential for heterogenous catalysis, leading to remarkable synergistic impacts on activity and selectivity. Here, we show that the direct link between the two phases (and not merely being together) is required to selectively hydrogenate CO 2 to methanol on catalysts containing Cu and ZrO 2 . Materials consisting of isolated Cu particles or atomically dispersed Cu–O–Zr sites only catalyze the reverse watergas shift reaction. In contrast, a metal organic framework structure (UiO-66) with Cu nanoparticles occupying missing-linker defects maximizes the fraction of metallic Cu interfaced to ZrO 2 nodes leading to a material with high adsorption capacity for CO 2 and high activity and selectivity for low-temperature methanol synthesis.
Reversible monolayer-to-crystalline phase transition in amphiphilic silsesquioxane at the air-water interface
Abstract not provided
Hydrogen oxidation at the Pt–BaZr 0.1 Ce 0.7 Y 0.1 Yb 0.1 O 3-δ (BZCYYb) interface
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Systematic electrochemical oxidative doping of P3HT to probe interfacial charge transfer across polymer-fullerene interfaces
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Rapid, interface-driven domain orientation in bottlebrush diblock copolymer films during thermal annealing
Thick (>20 μm) films of bottlebrush block copolymers self-assemble within minutes of thermal annealing between hard interfaces. Photonic properties are modified by thickness-dependent gradients of grain size and orientation between the surface and bulk.
Charged species redistribution at electrochemical interfaces: a model system of the zirconium oxide/water interface
We establish a solid/water interface model which treats ionic defects in solids and ions in water uniformly, allowing one to study the space charge layer and the electric double layer profiles under doping and pH effects.
Ion energy-angle distribution functions at the plasma-material interface in oblique magnetic fields
The ion energy-angle distribution (IEAD) at the wall of a magnetized plasma is of fundamental importance for the determination of the material processes occurring at the plasma-material interface, comprising secondary emissions and material sputtering. Here, we present a numerical characterization of the IEAD at the wall of a weakly collisional magnetized plasma with the magnetic field inclined at an arbitrary angle with respect to the wall. The analysis has been done using two different techniques: (1) a fluid-Monte Carlo method, and (2) particle-in-cell simulations, the former offering a fast but approximate method for the determination of the IEADs, the latter giving a computationally intensive but self-consistent treatment of the plasma behavior from the quasi-neutral region to the material boundary. The two models predict similar IEADs, whose similarities and differences are discussed. Data are presented for magnetic fields inclined at angles from normal to grazing incidence (0°–85°). We show the scaling factors of the average and peak ion energy and trends of the pitch angle at the wall as a function of the magnetic angle, for use in the correlation of fluid plasma models to material models.
Phase coexistence and pinning of charge density waves by interfaces in chromium
Not Available
Two-Dimensional Electron Gases at LaAlO 3 /SrTiO 3 Interfaces: Orbital Symmetry and Hierarchy Engineered by Crystal Orientation
Recent findings show the emergence of two-dimensional electron gases (2DEGs) at LaAlO 3 /SrTiO 3 interfaces along different orientations; yet details on band reconstructions have remained so far unknown. In this study, via x-ray linear dichroism spectroscopy, we demonstrate that crystal symmetry imposes distinctive 2DEG orbital hierarchies on (001)-and (110)-oriented quantum wells, allowing selective occupancy of states of different symmetry. Such orientational tuning expands the possibilities for electronic engineering of 2DEGs and opens up enticing opportunities to understand the link between orbital symmetry and complex correlated states at LaAlO 3 /SrTiO 3 quantum wells.
Power Flow in Pulsed-Power Systems: The Influence of Hall Physics and Modeling of the Plasma–Vacuum Interface
Abstract not provided.
How to Interface with Sandia's Simulink S-Function Interface
The example shows a graphic of the flow, headings used in the interface, and the correct sequence of operations, in order.
Complete Demonstration of a Prototype Version of FORCE User Interface and Conduct Analyst Survey Collecting Feedback on Interface Features and Usability
In 2024 the US Department of Energy (DOE) Office of Nuclear Energy (NE) Integrated Energy System (IES) program continued to develop the Framework for Optimization of Resources and Economics (FORCE) analysis ecosystem into a more traditional toolset with simplified software installation, automated workflows, and interactive results visualization. The DOE-NE Nuclear Energy Advanced Modeling and Simulation (NEAMS) Workbench continued to be leveraged for user input, application workflow and runtime environment, and interactive results visualization capabilities. This report documents the demonstration of a FORCE User Interface (UI) prototype and the results of a survey of analysts’ using the Holistic Energy Resource Optimization Network (HERON) tool in FORCE with the prototype UI.
MOOSE Web Server Interface: A Message-based External Interface for Multiphysics Simulations
The Multiphysics Object-Oriented Simulation Environment (MOOSE) framework is a C++ toolkit designed to streamline the development of finite element and finite volume applications. It offers an interface for input-based coupling of these applications to create multiscale, multiphysics models. We introduce a new capability that enables external applications to integrate with MOOSE-based applications in situ via a web server using HTTP requests. An example of this integration is provided, where a MOOSE thermal-fluids solve has a boundary condition that is driven by an external Python application. Additionally, the coupling of the Python-based OpenMC depletion solver with the Cardinal application is demonstrated. A multiphysics model of a pressurized water reactor, incorporating neutronics, heat conduction, thermal-fluids, and depletion, is presented to showcase this new Cardinal capability that is enabled by the MOOSE web server capability.
MOOSE Web Server Interface: A Message-based External Interface for Multiphysics Simulations
The Multiphysics Object-Oriented Simulation Environment (MOOSE) framework is a C++ toolkit designed to streamline the development of finite element and finite volume applications. It offers an interface for input-based coupling of these applications to create multiscale, multiphysics models. We introduce a new capability that enables external applications to integrate with MOOSE-based applications in situ via a web server using HTTP requests. An example of this integration is provided, where a MOOSE thermal-fluids solve has a boundary condition that is driven by an external Python application. Additionally, the coupling of the Python-based OpenMC depletion solver with the Cardinal application is demonstrated. A multiphysics model of a pressurized water reactor, incorporating neutronics, heat conduction, thermal-fluids, and depletion, is presented to showcase this new Cardinal capability that is enabled by the MOOSE web server capability.
On the evolution of stresses due to lattice misfit at a Ni-superalloy and YSZ interface
Not Available