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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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At least 307 records · Page 17

Direct determination of energy level alignment and charge transport at metal/Alq{sub 3} interfaces via ballistic-electron-emission spectroscopy.

Using ballistic-electron-emission spectroscopy (BEES), we directly determined the energy barrier for electron injection at clean interfaces of Alq{sub 3} with Al and Fe to be 2.1 and 2.2 eV, respectively. We quantitatively modeled the sub-barrier BEES spectra with an accumulated space charge layer, and found that the transport of nonballistic electrons is consistent with random hopping over the injection barrier.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

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.

36 MATERIALS SCIENCE↗

Optical-Fiber-Based, Time-Resolved Photoluminescence Spectrometer for Thin-Film Absorber Characterization and Analysis of TRPL Data for CdS/CdTe Interface: Preprint

We describe the design of a time resolved photoluminescence (TRPL) spectrometer for rapid semiconductor absorber characterization. Simplicity and flexibility is achieved by using single optical fiber to deliver laser pulses and to collect photoluminescence. We apply TRPL for characterization of CdS/CdTe absorbers after deposition, CdCl2 treatment, Cu doping, and back contact formation. Datasuggest this method could be applied in various stages of PV device processing. Finally, we show how to analyze TRPL data for CdS/CdTe absorbers by considering laser light absorption depth and intermixing at CdS/CdTe interface.

14 SOLAR ENERGY↗

Solid Electrolyte/Electrode Interfaces: Atomistic Behavior Analyzed Via UHV-AFM, Surface Spectroscopies, and Computer Simulations Computational and Experimental Studies of the Cathode/Electrolyte Interface in Oxide Thin Film Batteries

The goals of the research were to understand the structural, dynamic, and chemical properties of solid electrolyte surfaces and the cathode/electrolyte interface at an atomistic and nanometer level using both computational and experimental techniques.

25 ENERGY STORAGE↗

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.

97 MATHEMATICS AND COMPUTING↗

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.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

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.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Low-temperature and high-rate-charging lithium metal batteries enabled by an electrochemically active monolayer-regulated interface

Stable operation of rechargeable lithium (Li)-based batteries at low temperatures is vital for cold-climate applications but is plagued with dendritic Li plating and unstable solid-electrolyte interphase (SEI). Here we report high-performance Li-metal batteries under low-temperature and high-rate-charging conditions. This is realized by utilizing a self-assembled monolayer of electrochemically active molecules on current collectors that regulates the nanostructure and composition of SEI and deposition morphology of Li metal anodes. A multilayer SEI containing a LiF-rich inner phase and amorphous outer layer effectively seals the Li surface in contrast to the conventional impassive SEI at low temperatures. As a result, galvanic Li corrosion and self-discharge were suppressed; stable Li deposition was realized from -60º to 45ºC; and a Li|LiCoO 2 cell with a capacity of 2.0 mAh cm -2 displayed a 200-cycle life at -15ºC with a recharge time of 45 minutes.

25 ENERGY STORAGE↗

Ion irradiation of Fe-Fe oxide core-shell nanocluster films: Effect of interface on stability of magnetic properties

A cluster deposition method was used to produce films of loosely aggregated nanoclusters (NCs) of Fe core-Fe{sub 3}O{sub 4} shell or fully oxidized Fe{sub 3}O{sub 4}. Films of these NC on Si(100) or MgO(100)/Fe{sub 3}O{sub 4}(100) were irradiated to 10{sup 16} Si{sup 2+}/cm{sup 2} near room temperature using an ion accelerator. Ion irradiation creates structural change in the NC film with corresponding chemical and magnetic changes which depend on the initial oxidation state of the cluster. Films were characterized using magnetometry (hysteresis, first order reversal curves), microscopy (transmission electron, helium ion), and x-ray diffraction. In all cases, the particle sizes increased due to ion irradiation, and when a core of Fe is present, irradiation reduces the oxide shells to lower valent Fe species. These results show that ion irradiated behavior of the NC films depends strongly on the initial nanostructure and chemistry, but in general saturation magnetization decreases slightly.

36 MATERIALS SCIENCE↗

Interface driven magnetic interactions in nanostructured thin films of iron nanocrystallites embedded in a copper matrix

We have fabricated thin films of iron nanocrystallites embedded in a copper matrix using a dual ion beam assisted deposition technique. A secondary End-Hall ion beam bombarded the iron atoms during deposition altering significantly the morphology of the films and allowing for control of the intermixing between iron and copper components. Cross-sectional transmission electron microscopy and x-ray reflectometry experiments indicated that the morphology of the films was that of iron nanocrystallites embedded in a copper matrix. Rietveld refinements of the diffraction pattern identified fcc-copper and amorphous iron. An increased amount of disorder was observed with a reduction in the amount of deposited iron from a 1:1 Fe:Cu ratio to 0.25:0.75 Fe:Cu ratio. Interfacial copper-iron alloys were identified by DC susceptibility experiments through their reduced T{sub C,Alloy} (370, 310, and 280 K) compared with that of bulk iron (∼1000 K). Element specific x-ray absorption and x-ray magnetic circular dichroism experiments were performed to identify the contributions to the magnetism from the iron and the copper-iron alloy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Sub-nA spatially resolved conductivity profiling of surface and interface defects in ceria films

Spatial variability of conductivity in ceria is explored using scanning probe microscopy with galvanostatic control. Ionically blocking electrodes are used to probe the conductivity under opposite polarities to reveal possible differences in the defect structure across a thin film of CeO2. Data suggest the existence of a large spatial inhomogeneity that could give rise to constant phase elements during standard electrochemical characterization, potentially affecting the overall conductivity of films on the macroscale. The approach discussed here can also be utilized for other mixed ionic electronic conductor systems including memristors and electroresistors, as well as physical systems such as ferroelectric tunneling barriers

36 MATERIALS SCIENCE↗

Tailoring the electronic transitions of NdNiO{sub 3} films through (111){sub pc} oriented interfaces

Bulk NdNiO{sub 3} and thin films grown along the pseudocubic (001){sub pc} axis display a 1st order metal to insulator transition (MIT) together with a Néel transition at T = 200 K. Here, we show that for NdNiO{sub 3} films deposited on (111){sub pc} NdGaO{sub 3}, the MIT occurs at T = 335 K and the Néel transition at T = 230 K. By comparing transport and magnetic properties of layers grown on substrates with different symmetries and lattice parameters, we demonstrate a particularly large tuning when the epitaxy is realized on (111){sub pc} surfaces. We attribute this effect to the specific lattice matching conditions imposed along this direction when using orthorhombic substrates.

36 MATERIALS SCIENCE↗