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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Diffusion Synthetic Acceleration for High Order S{sub N} Transport on Meshes with Curved Surfaces

Thermal radiation transport is integral to multiphysics applications such as inertial confinement fusion and astrophysics. Materials in these problems can be exceptionally optically thick and diffusive. A transport solver must be capable of accurate and efficient solutions to such problems. Previously, Woods et al. established a proof-of-concept for high order (HO) discontinuous Galerkin finite element (DGFEM) transport on meshes with curved surfaces. They numerically demonstrated the spatial convergence is order p + 1. Remarkably, these convergence rates are relatively invariant to the amount of curvature of the spatial mesh. We present here an extension of this work that demonstrates a rapidly-convergent iterative solver for the FEM transport equations on meshes with curved sides. We use the modified interior penalty (MIP) diffusion synthetic acceleration (DSA) established by Wang and Ragusa. The partially consistent MIP equations stem from the symmetric interior penalty (IP) derivation of the diffusion equation. The IP method is not stable for optically thick cells so it was combined with the diffusion conforming form (DCF), a discretized diffusion equation derived from the discretized S N equations that is not stable for intermediate optical thicknesses. The MIP equations adapt a 'switch' to the IP method in optically thinner regions and the DCF method in optically thicker regions. The literature does not reveal any Fourier analyses performed for iterative transport on meshes with curved surfaces. Wang and Ragusa performed a Fourier analysis for orthogonal meshes and our results appear to be as expected. Previous literature has reported on some of the sensitivities that affect the spectral radius of DSA schemes: polynomial order, and scattering ratios. Presently, we focus on the sensitivity of the spectral radius to polynomial order, scattering ratio, the constant C, and mesh curvature for varying cell thicknesses. We also numerically study the behavior of the spectral radius to verify our DSA implementation. A sequence of problems is designed to exercise the acceleration. As the problems become more optically thick and diffusive, the accelerated solution continues to converge toward the analytic solution. We employ the Modular Finite Element Methods (MFEM) package, developed at Lawrence Livermore National Laboratory, to generate the linear algebraic system of equations for each angle in the discrete ordinates quadrature set, and use UMFPack to solve this system of equations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Shining Light on Halide Perovskites: Teaching Analytical Chemistry Using Flexible, Inquiry-Based Experiments

Two-dimensional (2D) metal halide perovskites are promising next generation semiconducting materials at the forefront of research in solar cells, LEDs, and other devices. Here, we report on an undergraduate intermediate analytical chemistry laboratory experience where students were taught fundamental chemistry concepts, including solubility, complexation, spectroscopy, and microscopy, through the introduction and study of 2D halide perovskite materials. Students explore multiple facets of perovskite synthesis, structure, and properties through a modular set of experiments that students used to form a holistic picture of this material. Importantly, this inquiry-based lab supports students through a guided research process, and students report high interest and learning gains from an end of the semester survey. We further discuss ways to adapt this lab to course, student, equipment, and budget needs. Overall, this laboratory experience teaches and applies the fundamental concepts and tools of analytical chemistry to the contemporary materials research field.

Analytical Chemistry↗
DOE OSTI2018

Characterization of an Ionization Readout Tile for nEXO

Anewdesign for the anode of a time projection chamber, consisting of a charge-detecting "tile", is investigated for use in large scale liquid xenon detectors. The tile is produced by depositing 60 orthogonal metal charge-collecting strips, 3 mm wide, on a 10 cm 10 cm fused-silica wafer. These charge tiles may be employed by large detectors, such as the proposed tonne-scale nEXO experiment to search for neutrinoless double-beta decay. Modular by design, an array of tiles can cover a sizable area. The width of each strip is small compared to the size of the tile, so a Frisch grid is not required. A grid-less, tiled anode design is beneficial for an experiment such as nEXO, where a wire tensioning support structure and Frisch grid might contribute radioactive backgrounds and would have to be designed to accommodate cycling to cryogenic temperatures. The segmented anode also reduces some degeneracies in signal reconstruction that arise in large-area crossed-wire time projection chambers. A prototype tile was tested in a cell containing liquid xenon. Very good agreement is achieved between the measured ionization spectrum of a 207Bi source and simulations that include the microphysics of recombination in xenon and a detailed modeling of the electrostatic field of the detector. An energy resolution E=5.5% is observed at 570 keV, comparable to the best intrinsic ionization-only resolution reported in literature for liquid xenon at 936 V/cm.

Jewell, M J.↗
DOE OSTI2026

Parametric reduced order models for graded lattice structures

Graded lattice structures, characterized by smoothly varying mechanical properties, hold significant promise for optimizing material distribution in advanced engineering applications. However, accurately modeling these structures poses substantial computational challenges due to the continuous geometric variations within their unit cells. Here, to address these challenges, this paper introduces a novel Efficient Reduced Order Model (EROM) that integrates the Matrix Discrete Empirical Interpolation Method (MDEIM) and Discrete Empirical Interpolation Method (DEIM) with polynomial regression to efficiently manage geometric parametrization in lattice structures. Unlike traditional reduced order models (ROMs) that require extensive precomputed libraries for each geometric configuration, our approach enables continuous geometric variations through a flexible algebraic formulation, significantly reducing computational costs while preserving high accuracy. The method constructs projection matrices for individual unit cells that can be efficiently assembled into global systems, leveraging the repetitive nature of lattice structures. Numerical studies demonstrate that our EROM achieves displacement errors below 1% and von Mises stress prediction errors below 4%, coupled with computational speedups exceeding two orders of magnitude compared to full-order simulations. The proposed method's modularity and scalability make it particularly suitable for design optimization and real-time simulation of functionally graded lattice structures, with applications spanning aerospace to biomedical engineering.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Hydrogen Education for a Decarbonized Global Economy (H 2 EDGE) (Final Technical Report)

The energy sector is undergoing rapid growth and transformation, creating urgent demand for a skilled workforce to support emerging technologies and resilient systems. Hydrogen is an emerging solution for “hard to abate” sectors, including heavy industry and transportation that also provides optionality for the electric system and enables long‑duration energy storage. As hydrogen scales from traditional industrial uses to new applications, success depends on knowledgeable engineers, technicians, planners, and operators safely deploying hydrogen technologies across the full value chain: production, delivery, storage, and end use. The H 2 EDGE initiative, funded by the U.S. Department of Energy’s Hydrogen and Fuel Cell Technologies Office from 2020 to 2025, was launched to prepare people for careers hydrogen and related technologies. Through its interactive approach, H 2 EDGE equipped stakeholders with knowledge and tools to build a reliable and sustainable energy future together. H 2 EDGE built a national network of academic and industry partners to deliver modular training, share open-access curricula, and engage diverse talent pipelines. The program leveraged EPRI’s extensive industry membership and expanded on the train-the-trainer model of the GridEd program to connect educators, employers, and community organizations across all regions of the U.S. New methods were introduced to more systematically map hydrogen competencies and assess curricula using traditional and AI-assisted approaches. Outcomes included delivery of professional short courses, developing university curriculum, sponsoring faculty and student projects, and engaging stakeholders through workshops, site tours, and webinars.

08 HYDROGEN↗
DOE OSTI2024

Tailorable Multi–Modular Pore–Space–Partitioned Vanadium Metal–Organic Frameworks for Gas Separation

Currently, few porous vanadium metal-organic frameworks (V-MOFs) are known and even fewer are obtainable as single crystals, resulting in limited information on their structures and properties. Here this work demonstrates remarkable promise of V-MOFs by presenting an extensible family of V-MOFs with tailorable pore geometry and properties. The synthesis leverages inter-modular synergy on a tri-modular pore-partitioned platform. New V-MOFs show a broad range of structural features and sorption properties suitable for gas storage and separation applications for C 2 H 2 /CO 2 , C 2 H 6 /C 2 H 4 , and C 3 H 8 /C 3 H 6 . The c/a ratio of the hexagonal cell, a measure of pore shape, is tunable from 0.612 to 1.258. Other tunable properties include pore size from 5.0 to 10.9 Å and surface area from 820 to 2964 m 2 g –1 . With C 2 H 2 /CO 2 selectivity from 3.3 to 11 and high uptake capacity for C 2 H 2 from 65.2 to 182 cm 3 g –1 (298K, 1 bar), an efficient separation is confirmed by breakthrough experiments. The near-record high uptake for C 2 H 6 (166.8 cm 3 g –1 ) contributes to the promise for C 2 H 6 -selective separation of C 2 H 6 /C 2 H 4 . The multi-module pore expansion enables transition from C 3 H 6 -selective to more desirable C 3 H 8 -selective separation with extraordinarily high C 3 H 8 uptake (254.9 cm 3 g –1 ) and high separation potential (1.25 mmol g –1 ) for C 3 H 8 /C 3 H 6 (50:50 v/v) mixture.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Brentwood Lessons Learned Project Report

The purpose of this report is to document lessons learned in the installation of the hydrogen fueling station at the National Park Service Brentwood site in Washington, D.C., to help further the deployment of hydrogen infrastructure required to support hydrogen and other fuel cell technologies. Hydrogen fueling is the most difficult infrastructure component to build and permit. Hydrogen fueling can include augmenting hydrogen fueling capability to existing conventional fuel fueling stations as well as building brand new hydrogen fueling stations. This report was produced as part of the Brentwood Lessons Learned project. The project consisted of transplanting an existing modular hydrogen fueling station from Connecticut to the National Park Service Brentwood site. This relocation required design and construction at the Brentwood site to accommodate the existing station design as well as installation and validation of the updated station. One of the most important lessons learned was that simply moving an existing modular station to an operating site was not necessarily straight-forward - performing the relocation required significant effort and cost. The station has to function at the selected operating site and this functionality requires a power supply, building supports connecting to an existing alarm system, electrical grounding and lighting, providing nitrogen for purging, and providing deionized water if an electrolyzer is part of the station package. Most importantly, the station has to fit into the existing site both spatially and operationally and not disrupt existing operations at the site. All of this coordination and integration requires logistical planning and project management. The idea that a hydrogen fueling station can be simply dropped onto a site and made immediately operational is generally not realistic. Other important lessons learned include that delineating the boundaries of the multiple jurisdictions that have authority over a project for all parties involved in the project are key to an efficient approval process; and site investigation is necessary when integrating a new station design onto an existing site, particularly an older existing site that may have limited documentation on the site history and operations. The lessons learned for permitting and subcontracting construction work can be applied to other similar sites and to commercial sites.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2018

IAEA CRP on HTGR UAM: Propagation of Phase I cross section uncertainties to Phase II neutronics steady state using SCALE/SAMPLER and PHISICS/RELAP5-3D

The IAEA Coordinated Research Project (CRP) on High Temperature Gas Cooled Reactor (HTGR) Uncertainties in Modeling (UAM) has been actively supported by the HTGR Methods group at Idaho National Laboratory since 2013. The INL team is responsible for the development of the prismatic reactor design exercises, based on the 350 MW General Atomics Modular HTGR (MHTGR). The focus of this paper is the reporting of the INL results obtained for the propagation of the lattice cross section uncertainties to the stand-alone neutronics simulation of the full MHTGR-350 core. For the nominal (i.e. best-estimate) model, a series of fresh and depleted single block and super cell SCALE/KENO and SCALE/NEWT models were developed at INL to assess spectral effects in the MHTGR-350, and a combination of these lattice cells were used to construct 8-group cross section libraries for use in the INL-developed PHISICS/RELAP5-3D code suite. The block-level homogenized libraries were assigned to the 220 fuel zones utilized in the MHTGR-350 PHISICS core model, according to the fresh and mixed fresh/depleted core loading pattern. A set of 1,000 perturbed NEWT lattice and PHISICS/RELAP5-3D core calculations were performed using the stochastic sampling module SAMPLER in SCALE 6.2. The paper discusses the mean and standard deviation values obtained for the eigenvalue, power offset and peak axial power density uncertainty results for this sequence of 1,000 lattice-to-core MHTGR-350 simulations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Framework for Modelling Interface Degradation in Photovoltaic Modules at the Molecular Level

A significant challenge facing the solar industry is developing a reliable method to accurately predict photovoltaic module reliability over decades-long operating lifetimes. For the specific case of encapsulant adhesion-where interface delamination directly leads to reduced module efficiency- predictive models are critical for assessing long term reliability of new module materials over time frames conducive to research and development. We thus present a framework for modelling the temporal evolution of encapsulant adhesion by accounting for chemicaldegradation mechanisms at the molecular level. The model is developed though an unprecedented survey of encapsulant adhesion energy measurements from lab and field- aged modules with agingtimes spanning months to nearly three decades. Chemical analyses of new and aged EVA encapsulants are conducted to identify the dominant degradation mechanisms for modelling interface adhesion: deactivation, polymer chain scission, and hydrolytic polymerization. The strength of this framework is in the model's modularity, which renders it adaptable to any type of aging environment and encapsulation material.

14 SOLAR ENERGY↗
DOE OSTI2024

Developmental assembly of multi-component polymer systems through interconnected synthetic gene networks in vitro

Abstract Living cells regulate the dynamics of developmental events through interconnected signaling systems that activate and deactivate inert precursors. This suggests that similarly, synthetic biomaterials could be designed to develop over time by using chemical reaction networks to regulate the availability of assembling components. Here we demonstrate how the sequential activation or deactivation of distinct DNA building blocks can be modularly coordinated to form distinct populations of self-assembling polymers using a transcriptional signaling cascade of synthetic genes. Our building blocks are DNA tiles that polymerize into nanotubes, and whose assembly can be controlled by RNA molecules produced by synthetic genes that target the tile interaction domains. To achieve different RNA production rates, we use a strategy based on promoter “nicking” and strand displacement. By changing the way the genes are cascaded and the RNA levels, we demonstrate that we can obtain spatially and temporally different outcomes in nanotube assembly, including random DNA polymers, block polymers, and as well as distinct autonomous formation and dissolution of distinct polymer populations. Our work demonstrates a way to construct autonomous supramolecular materials whose properties depend on the timing of molecular instructions for self-assembly, and can be immediately extended to a variety of other nucleic acid circuits and assemblies.

Science & Technology - Other Topics↗
DOE OSTI2026

Engineering phase-frustration-induced flat bands in an aza-triangulene covalent kagome lattice

π-Conjugated covalent organic frameworks provide a versatile molecular scaffold for the realization of designer quantum nanomaterials. Strong electron–electron correlation within these artificial lattices can give rise to exotic phases of matter. Their experimental realization, however, requires precise control over orbital symmetry, charge localization and band dispersion, all arising from the effective hybridization between molecular linkers and nodes. Here we present a modular strategy for constructing diatomic kagome lattices from aza-[3]triangulene nodes, in which a D 3h -symmetric ground state is stabilized through resonance contributions from a cumulenic linker. First-principles density functional theory and scanning tunnelling spectroscopy reveal that the hybridization of a sixfold-degenerate set of edge-localized Wannier functions in the unit cell gives rise to orbital-phase-frustration-induced non-trivial flat bands. These results establish a general design principle for engineering orbital interactions in organic lattices and open a pathway towards programmable covalent-organic-framework-based quantum materials with correlated electronic ground states.

conjugated polymers↗
DOE OSTI2024

Assessing electrogenetic activation via a network model of biological signal propagation

Introduction: Molecular communication is the transfer of information encoded by molecular structure and activity. We examine molecular communication within bacterial consortia as cells with diverse biosynthetic capabilities can be assembled for enhanced function. Their coordination, both in terms of engineered genetic circuits within individual cells as well as their population-scale functions, is needed to ensure robust performance. We have suggested that “electrogenetics,” the use of electronics to activate specific genetic circuits, is a means by which electronic devices can mediate molecular communication, ultimately enabling programmable control. Methods: Here, we have developed a graphical network model for dynamically assessing electronic and molecular signal propagation schemes wherein nodes represent individual cells, and their edges represent communication channels by which signaling molecules are transferred. We utilize graph properties such as edge dynamics and graph topology to interrogate the signaling dynamics of specific engineered bacterial consortia. Results: We were able to recapitulate previous experimental systems with our model. In addition, we found that networks with more distinct subpopulations (high network modularity) propagated signals more slowly than randomized networks, while strategic arrangement of subpopulations with respect to the inducer source (an electrode) can increase signal output and outperform otherwise homogeneous networks. Discussion: We developed this model to better understand our previous experimental results, but also to enable future designs wherein subpopulation composition, genetic circuits, and spatial configurations can be varied to tune performance. We suggest that this work may provide insight into the signaling which occurs in synthetically assembled systems as well as native microbial communities.

Chun, Kayla↗
DOE OSTI2023

Structure of the Wnt–Frizzled–LRP6 initiation complex reveals the basis for coreceptor discrimination

Wnt morphogens are critical for embryonic development and tissue regeneration. Canonical Wnts form ternary receptor complexes composed of tissue-specific Frizzled (Fzd) receptors together with the shared LRP5/6 coreceptors to initiate β-catenin signaling. The cryo-EM structure of a ternary initiation complex of an affinity-matured XWnt8–Frizzled8–LRP6 complex elucidates the basis of coreceptor discrimination by canonical Wnts by means of their N termini and linker domains that engage the LRP6 E1E2 domain funnels. Chimeric Wnts bearing modular linker “grafts” were able to transfer LRP6 domain specificity between different Wnts and enable non-canonical Wnt5a to signal through the canonical pathway. Synthetic peptides comprising the linker domain serve as Wnt-specific antagonists. The structure of the ternary complex provides a topological blueprint for the orientation and proximity of Frizzled and LRP6 within the Wnt cell surface signalosome.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Optical Design and Validation of an Infrared Transmissive Spectrum Splitting Concentrator Photovoltaic Module

A new modular, hybrid solar power system is designed to generate both electrical and thermal energy by utilizing the full solar spectrum. The key element, an infrared-transparent concentrator photovoltaic (CPV) module, acts as a spectrum splitter, dividing solar radiation into two parts. The ultraviolet and visible light (“in-band”) are converted to electricity with high efficiency in CPV cells, while the infrared light (“out-of-band”) is transmitted directly to a thermal receiver, where thermal power may be converted to electricity by a suitable heat engine or used directly for industrial process heat applications whenever needed. Here, we describe the optical design, modeling, fabrication, and performance validation of this novel spectrum splitting CPV module. A transfer matrix style approach, cumulative transmission model, is built to study the reflection, absorption, and transmission in each layer of the CPV module. To optimize the optical performance, different materials for module superstrate/substrate, encapsulant, cell substrate, and cooling fluids are compared in order to enhance the transmission of out-of-band light through the CPV module by minimizing absorption. Six antireflection coatings along with front and backside electrical contact grids are designed to maximize transmittance of in-band light to the cell and out-of-band light to the thermal receiver. Here, the final design, currently being prototyped, predicts out-of-band light transmission to the thermal receiver of 74.1% (for the passively cooled version) and 65.3% (for the actively cooled version). When epitaxial liftoff technology is applied, the transmission will change to 80.8% (passively cooled) and 71.9% (actively cooled). Experimental prototypes show good agreement with modeled optical performance.

14 SOLAR ENERGY↗
DOE OSTI2023

A portable ion-energy diagnostic for transformative ARPA-E Fusion R&D

The Princeton Plasma Physics Laboratory seeks to develop a diagnostic to measure the energy distribution of ions (IED) in innovative confinement concept devices being investigated under ARAP-E grants. The Princeton Field-Reversed Configuration (PFRC) fusion project aims to develop small, simple, and clean fusion power generators in the 1–10 MW “micro-reactor” class. The PFRC explores a new approach to fusion power-generation design, prioritizing low radioactivity and modular units of MEW-scale power output. The team’s proposed power plant design provides a small footprint for a compact, potentially transportable energy source that is fully deployable and emissions-free. A critical diagnostic to accomplish this mission and to test the theory of ion heating necessary for fusion in PFRC reactors is called a stripping-cell ion-energy analyzer (SC-IEA).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Status Update for the Bearing Test Article Design Development – FY2025

Argonne National Laboratory’s (ANL) Mechanism Engineering Test Loop (METL) team has completed the design of a new Bearing Test Article (BTA) to test mechanical bearings for sodium fast reactor (SFR) mechanism applications. Recognition of the need for further bearing testing arose due to failure of rolling element bearings during testing of components for in-vessel fuel handling machines (FHMs) conducted at ANL in the METL facility. While the initial concept of the BTA arose from a need for bearing testing for FHM applications, the BTA design is configurable to test bearings of various sizes, types, and materials submerged in liquid sodium. Requirements for loading, shaft speed, temperature, and bearing size range were chosen based on requirements for SFR fuel handling. Modular components in the test bearing housings and shaft sleeves allow the design to accommodate a wide range of bearing sizes without modification to the larger assembly. Loading will be applied with screw jacks on the air side of the test article that will be adjusted to apply radial, thrust, or combined loading conditions. Applied force will be measured by load cells in-line with the loading mechanisms. In FY25 we have completed the design of the test article that will be fabricated and undergo testing at the METL facility. Drawing packages for the fabrication of the test article have been drafted and are being reviewed to add part tolerances and we have started ordering off-the-shelf components. The report will summarize the development of the Bearing Test Article design starting with an overview of the entire test article, then a more detailed examination of the bearing test section, loading mechanisms, test article ports and seals, and support structures, including analysis that went into significant design choices.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Ultra-compact configurable double-sided manifold micro-channel cold plate

A configurable, double sided, manifold micro-channel cold plate includes a one or more manifold micro-channel cold plate cells. Each cold plate cell includes a manifold body, a manifold insert, a plurality of heat sinks, and a plurality of longitudinal openings configured for fluidic communication with the fluid channels. The manifold body has fluid channels to permit flow of a fluid coolant. The manifold insert has a plurality of manifold insert fluid channels, and is configured for receipt in the one of the modular body recesses. The heat sinks are configured for receipt in the modular body recesses, and include an impingement surface configured for fluidic communication with the manifold insert fluid channels, and a heat transfer surface for thermal communication with one or more heat generating devices.

Zhou, Feng↗
DOE OSTI2012

A modular architecture for multi-channel external cavity quantum cascade laser-based chemical sensors: a systems approach

A multi-channel laser-based chemical sensor platform is presented, in which a modular architecture allows the exchange of complete sensor channels without disruption to overall operation. Each sensor channel contains custom optical and electronics packages, which can be selected to access laser wavelengths, interaction path lengths and modulation techniques optimal for a given application or mission. Although intended primarily to accommodate mid-infrared (MIR) external cavity quantum cascade lasers (ECQCLs)and astigmatic Herriott cells, channels using visible or near infrared (NIR) lasers or other gas cell architectures can also be used, making this a truly versatile platform. Analog and digital resources have been carefully chosen to facilitate small footprint, rapid spectral scanning, ow-noise signal recovery, failsafe autonomous operation, and in-situ chemometric data analysis, storage and transmission. Results from the demonstration of a two-channel version of this platform are also presented.

99 GENERAL AND MISCELLANEOUS↗