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DOE OSTI2026

The U.S. Agrivoltaic Shading Tool: A National-Scale Interface for Modeling Light and Shade Patterns in Ten Common Agrivoltaic Configurations

Agrivoltaic systems are dual-use configurations that co-locate agriculture and photovoltaic (PV) infrastructure and require careful design to balance crop performance and energy generation. A critical element of agrivoltaic design is the spatial and temporal distribution of irradiance and shade within and around PV arrays. To support research, planning, and stakeholder decision-making, we introduce the U.S. Agrivoltaic Shading Tool, a novel web-based application that delivers high-resolution irradiance and photosynthetically active radiation (PAR) modeling for ten standardized PV configurations across the conterminous United States. The tool leverages the National Laboratory of the Rockies (NLR) System Advisor Model (SAM) to perform detailed irradiance simulations, using meteorological data from the National Solar Radiation Database (NSRDB). Outputs include seasonal, monthly, weekly, and diurnal patterns of available sunlight, amount of shade, irradiance, and PAR at ground level within agrivoltaic system footprints. For a user's selected location, these results are visualized through interactive visualizations, heatmaps, and time-series plots, designed to be accessible to both technical and non-technical users. In addition to facilitating rapid spatial exploration of agrivoltaic light environments, the tool will offer seamless integration with the InSPIRE Agrivoltaics Design and Analysis Model (ADAM). This optional workflow will allow users to port selected site and configuration parameters into a more advanced modeling environment for further customization of structural layouts, crop-system compatibility, power generation, and technoeconomic performance. Finally, to promote open science, the entire dataset will be hosted and available for open access through the OpenEI platform. By standardizing and disseminating high-quality irradiance data and design tools, the U.S. Agrivoltaic Shading Tool supports a wide range of users, including researchers, landowners, energy developers, and policymakers, in evaluating the agronomic and energetic feasibility of agrivoltaic systems across the United States.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2012

Dynamic Multiscale Averaging (DMA) of Turbulent Flow

A new approach called dynamic multiscale averaging (DMA) for computing the effects of turbulent flow is described. The new method encompasses multiple applications of temporal and spatial averaging, that is, multiscale operations. Initially, a direct numerical simulation (DNS) is performed for a relatively short time; it is envisioned that this short time should be long enough to capture several fluctuating time periods of the smallest scales. The flow field variables are subject to running time averaging during the DNS. After the relatively short time, the time-averaged variables are volume averaged onto a coarser grid. Both time and volume averaging of the describing equations generate correlations in the averaged equations. These correlations are computed from the flow field and added as source terms to the computation on the next coarser mesh. They represent coupling between the two adjacent scales. Since they are computed directly from first principles, there is no modeling involved. However, there is approximation involved in the coupling correlations as the flow field has been computed for only a relatively short time. After the time and spatial averaging operations are applied at a given stage, new computations are performed on the next coarser mesh using a larger time step. The process continues until the coarsest scale needed is reached. New correlations are created for each averaging procedure. The number of averaging operations needed is expected to be problem dependent. The new DMA approach is applied to a relatively low Reynolds number flow in a square duct segment. Time-averaged stream-wise velocity and vorticity contours from the DMA approach appear to be very similar to a full DNS for a similar flow reported in the literature. Expected symmetry for the final results is produced for the DMA method. The results obtained indicate that DMA holds significant potential in being able to accurately compute turbulent flow without modeling for practical engineering applications.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Dosimetric Comparison in Breast Radiotherapy of 4 MV and 6 MV on Physical Chest Simulator

According to the World Health Organization (2014) breast cancer is the main cause of death by cancer in women worldwide. The biggest challenge of radiotherapy in the treatment of cancer is to deposit the entire prescribed dose homogeneously in the breast, sparing the surrounding tissue. In this context, this paper aimed at evaluating and comparing internal dose distribution in the mammary gland based on experimental procedures submitted to two distinct energy spectra produced in breast cancer radiotherapy. The methodology consisted of reproducing opposite parallel fields used in the treatment of breast tumors in a chest phantom. This simulator with synthetic breast, composed of equivalent tissue material (TE), was previously developed by the NRI Research Group (UFMG). The computer tomography (CT) scan of the simulator was obtained antecedently. The radiotherapy planning systems (TPS) in the chest phantom were performed in the ECLIPSE system from Varian Medical Systems and CAT 3D system from MEVIS. The irradiations were reproduced in the Varian linear accelerator, model SL- 20 Precise, 6 MV energy and Varian linear accelerator, 4 MV Clinac 6x SN11 model. Calibrations of the absorbed dose versus optical density from radiochromic films were generated in order to obtain experimental dosimetric distribution at the films positioned within the glandular and skin equivalent tissues of the chest phantom. The spatial dose distribution showed equivalence with the TPS on measurement data performed in the 6 MV spectrum. The average dose found in radiochromic films placed on the skin ranged from 49 to 79%, and from 39 to 49% in the mammary areola, for the prescribed dose. Dosimetric comparisons between the spectra of 4 and 6 MV, keeping the constant geometry of the fields applied in the same phantom, will be presented showing their equivalence in breast radiotherapy, as well as the variations will be discussed. To sum up, the dose distribution has reached the value expected in the breast dose of the 180 cGy in a wide range of the film in the glandular TE in both spectra. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2023

Ambient Tip-Enhanced Two Photon Photoluminescence from CdSe/ZnS Quantum Dots

Nonlinear nano-optical measurements that combine ultrafast spectroscopy with tools of scanning probe microscopy are scarce. This is particularly the case when high spatial resolution on the order of a few nanometers is sought after in experiments performed under ambient laboratory conditions. In this work, we demonstrate the latter through measurements that track two-photon photoluminescence from aggregates of CdSe/ZnS quantum dots with sub-5 nm spatial resolution. We report our proof-of-principle measurements that only take advantage of a plasmonic probe (as opposed to a gap mode) pave the way for nonlinear photoluminescence-based spectral nano-imaging of realistic/heterogeneous (bio)molecular and (bio)material systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

SU-G-IeP3-10: Molecular Imaging with Clinical X-Ray Sources and Compton Cameras

Purpose: The application of Compton cameras (CC) is a novel approach translating XFCT to a practical modality realized with clinical CT systems without the restriction of pencil beams. The dual modality design offers additional information without extra patient dose. The purpose of this work is to investigate the feasibility and efficacy of using CCs for volumetric x-ray fluorescence (XF) imaging by Monte Carlo (MC) simulations and statistical image reconstruction. Methods: The feasibility of a CC for imaging x-ray fluorescence emitted from targeted lesions is examined by MC simulations. 3 mm diameter water spheres with various gold concentrations and detector distances are placed inside the lung of an adult human phantom (MIRD) and are irradiated with both fan and cone-beam geometries. A sandwich design CC composed of Silicon and CdTe is used to image the gold nanoparticle distribution. The detection system comprises four 16×26 cm{sup 2} detector panels placed on the chest of a MIRD phantom. Constraints of energy-, spatial-resolution, clinical geometries and Doppler broadening are taken into account. Image reconstruction is performed with a list-mode MLEM algorithm with cone-projector on a GPU. Results: The comparison of reconstruction of cone- and fan-beam excitation shows that the spatial resolution is improved by 23% for fan-beams with significantly decreased processing time. Cone-beam excitation increases scatter content disturbing quantification of lesions near the body surface. Spatial resolution and detectability limit in the center of the lung is 8.7 mm and 20 fM for 50 nm diameter gold nanoparticles at 20 mGy. Conclusion: The implementation of XFCT with a CC is a feasible method for molecular imaging with high atomic number probes. Given constrains of detector resolutions, Doppler broadening, and limited exposure dose, spatial resolutions comparable with PET and molecular sensitivities in the fM range are realizable with current detector technology.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2012

Development of a fully-consistent reduced order model to study instabilities in boiling water reactors

A simple nonlinear Reduced Order Model to study global, regional and local instabilities in Boiling Water Reactors is described. The ROM consists of three submodels: neutron-kinetic, thermal-hydraulic and heat-transfer models. The neutron-kinetic model allows representing the time evolution of the three first neutron kinetic modes: the fundamental, the first and the second azimuthal modes. The thermal-hydraulic model describes four heated channels in order to correctly simulate out-of-phase behavior. The coupling between the different submodels is performed via both void and Doppler feedback mechanisms. After proper spatial homogenization, the governing equations are discretized in the time-domain. Several modifications, compared to other existing ROMs, have been implemented, and are reported in this paper. One novelty of the ROM is the inclusion of both azimuthal modes, which allows to study combined instabilities (in-phase and out-of-phase), as well as to investigate the corresponding interference effects between them. The second modification concerns the precise estimation of so-called reactivity coefficients or C{sub mn}{sup *V,D} - coefficients by using direct cross-section data from SIMULATE-3 combined with the CORE SIM core simulator in order to calculate Eigenmodes. Furthermore, a non-uniform two-step axial power profile is introduced to simulate the separate heat production in the single and two-phase regions, respectively. An iterative procedure was developed to calculate the solution to the coupled neutron-kinetic/thermal-hydraulic static problem prior to solving the time-dependent problem. Besides, the possibility of taking into account the effect of local instabilities is demonstrated in a simplified manner. The present ROM is applied to the investigation of an actual instability that occurred at the Swedish Forsmark-1 BWR in 1996/1997. The results generated by the ROM are compared with real power plant measurements performed during stability tests and show a good qualitative agreement. The present study provides some insight in a deeper understanding of the physical principles which drive both core-wide and local instabilities. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2015

Time-Lapse Electrical Geophysical Monitoring of Amendment-Based Biostimulation

Biostimulation is increasingly used to accelerate microbial remediation of recalcitrant groundwater contaminants. Effective application of biostimulation requires successful emplacement of amendment in the contaminant target zone. Verification of remediation performance requires postemplacement assessment and contaminant monitoring. Sampling based approaches are expensive and provide low-density spatial and temporal information. Time-lapse electrical resistivity tomography (ERT) is an effective geophysical method for determining temporal changes in subsurface electrical conductivity. Because remedial amendments and biostimulation-related biogeochemical processes often change subsurface electrical conductivity, ERT can complement and enhance sampling-based approaches for assessing emplacement and monitoring biostimulation-based remediation. Field studies demonstrating the ability of time-lapse ERT to monitor amendment emplacement and behavior were performed during a biostimulation remediation effort conducted at the Department of Defense Reutilization and Marketing Office (DRMO) Yard, in Brandywine, Maryland, United States. Geochemical fluid sampling was used to calibrate a petrophysical relation in order to predict groundwater indicators of amendment distribution. The petrophysical relations were field validated by comparing predictions to sequestered fluid sample results, thus demonstrating the potential of electrical geophysics for quantitative assessment of amendment-related geochemical properties. Crosshole radar zero-offset profile and borehole geophysical logging were also performed to augment the data set and validate interpretation. In addition to delineating amendment transport in the first 10 months after emplacement, the time-lapse ERT results show later changes in bulk electrical properties interpreted as mineral precipitation. Results support the use of more cost-effective surfacebased ERT in conjunction with limited field sampling to improve spatial and temporal monitoring of amendment emplacement and remediation performance.

amendment↗

DOE OSTI2024

Numerical investigation of mixing and heat transfer in a 7.9 m JP-8 pool fire

The response of objects engulfed in, and adjacent to, large-scale pool fires is of interest in accident and safety assessments. In this study, Fuego, a low-Mach turbulent reacting flow code was used to study conjugate heat transfer in a 7.9 m diameter JP-8 pool fire. Simulations were designed to replicate past experimental measurements (Blanchat et al., 2006) of incident heat flux to three cylindrical calorimeters in and around the pool fire. Two turbulent combustion models were compared directly - the eddy dissipation concept and a more recently developed unsteady flamelet model. First and second order spatial and temporal discretization schemes were also compared to assess the performance of low-dissipation numerical operators. Heat flux predictions to the transportation size calorimeter outside the fire were within experimental uncertainties. Inside the fire, experimental measurements were higher than predicted values and may have been a consequence of soot deposition and augmented participating media radiation from soot and fuel vapor. Simulation predictions improved in cases where turbulent kinetic energy and mixing were more resolved. This work, and others referenced herein, suggest that spatial resolution on the order of 0.5–1.0 cm may be required to fully resolve fluid instabilities, vortex production between fire plumes and crosswind, soot production, and fuel-air mixing. This presents a substantial computational challenge for safety assessments of engulfed objects in fully turbulent pool fires.

Conjugate heat transfer↗

DOE OSTI2026

Spatially Mapping the CO 2 Alkaline Sorbent Diffuse Microenvironment Using Operando Raman Spectroscopy

When designing a chemical process, the local balance of transport and kinetics, collectively referred to as the diffuse microenvironment, plays a critical role in performance but is difficult to directly observe. This work demonstrates a method of two-dimensional spatial chemical mapping of the diffuse microenvironment in the context of alkali metal hydroxide direct air capture of carbon dioxide using a custom operando gas-absorption flow cell along with confocal Raman spectroscopy. Notably, we observe the concentration boundary layer near the gas–liquid interface and elucidate the interplay of carbonate and bicarbonate ions within it while inferring local hydroxide depletion through continuum modeling. These first of their kind observations provide a technique to compare the performance of direct air capture solvents based on diffuse microenvironment dynamics while also providing metrics important for air contactor design such as boundary layer thickness. Overall, this work showcases a new experimental platform to study interfacial diffuse microenvironments in and outside of the field of direct air capture of carbon dioxide.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Raman Spectral Imaging Based Histopathology of Human Skin Tissue

Confocal Raman microspectral imaging (CRMI) provides a versatile tool to extract biochemical information on histologically defined regions with improved spatial resolution and sensitivity. Here, we investigate spectral features and perform both uni- and multivariate analyses to obtain precise correlation between the biochemical profile and histological architecture of ex vivo human skin tissue. The skin dermis layer is visualized by integrated images of collagen peaks at 855, 940, and 1248 cm{sup −1}, while the stratum corneum layer is described by chemical images of ceramides. M elanin accumulation patterns in epidermis are obtained by integration of 1375 and 1580 cm{sup −1} Raman peaks. In addition, distinct spectral features of the melanin precursor are revealed by certain Raman vibrations, which structurally characterize the molecular composition and organization of hair follicles. These results offer a unique insight into the skin histology, biochemistry, and biophysics, which provide the possibility of interpreting the underlying mechanisms of skin malignant processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Hanford Site-wide Natural Recharge Boundary Condition for Groundwater Models

The purpose of this environmental calculation file (ECF) is to document the development of a tool that generates temporally and spatially variable representations of natural recharge for the Hanford Site. A key feature of the recharge evolution tool (RET) is that it applies sanctioned natural recharge rates varying as a function of the condition/cover of the ground surface and soil type at different points in time. No hydrologic calculations are performed by the RET, this script works as a lookup database between spatial and temporal datasets to assign research-based recharge rates to corresponding regions throughout the Hanford Site. This work will support vadose zone and groundwater models for the Hanford Site. Although efforts will focus on generating recharge estimates for the entirety of the Hanford Site, the focus scope of this work will be the Central Plateau Area to support the Composite Analysis Vadose Zone facet. In other words, the reliability of this calculation will be greatest within the Central Plateau Area and decrease with departures from that geographic region.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Hanford Site-wide Natural Recharge Boundary Condition for Groundwater Models

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2013

HIGH SPATIAL RESOLUTION OBSERVATIONS OF LOOPS IN THE SOLAR CORONA

Understanding how the solar corona is structured is of fundamental importance to determine how the Sun's upper atmosphere is heated to high temperatures. Recent spectroscopic studies have suggested that an instrument with a spatial resolution of 200 km or better is necessary to resolve coronal loops. The High Resolution Coronal Imager (Hi-C) achieved this performance on a rocket flight in 2012 July. We use Hi-C data to measure the Gaussian widths of 91 loops observed in the solar corona and find a distribution that peaks at about 270 km. We also use Atmospheric Imaging Assembly data for a subset of these loops and find temperature distributions that are generally very narrow. These observations provide further evidence that loops in the solar corona are often structured at a scale of several hundred kilometers, well above the spatial scale of many proposed physical mechanisms.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Sensitivity analysis of generic deep geologic repository with focus on spatial heterogeneity induced by stochastic fracture network generation

Geologic Disposal Safety Assessment Framework is a state-of-the-art simulation software toolkit for probabilistic post-closure performance assessment of systems for deep geologic disposal of nuclear waste developed by the United States Department of Energy. This paper presents a generic reference case and shows how it is being used to develop and demonstrate performance assessment methods within the Geologic Disposal Safety Assessment Framework that mitigate some of the challenges posed by high uncertainty and limited computational resources. Variance-based global sensitivity analysis is applied to assess the effects of spatial heterogeneity using graph-based summary measures for scalar and time-varying quantities of interest. Behavior of the system with respect to spatial heterogeneity is further investigated using ratios of water fluxes. This analysis shows that spatial heterogeneity is a dominant uncertainty in predictions of repository performance which can be identified in global sensitivity analysis using proxy variables derived from graph descriptions of discrete fracture networks. New quantities of interest defined using water fluxes proved useful for better understanding overall system behavior.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2017

Evaluation of Optical Fiber Bragg Gratings in a Nuclear Reactor

Optical fiber-based sensors are capable of distributed temperature and/or strain measurements with high accuracy and sub-cm spatial resolution. Optical fibers have a small diameter ({approx}100 {mu}m), a small mass (and therefore fast response time), and are fabricated from high temperature-tolerant, radiation-hard materials. These qualities make optical fiber-based instrumentation a promising candidate for in-pile sensing applications, monitoring fuel performance during irradiation in test reactors, or embedding fibers in other commercial reactor components or structures. The Department of Energy and Idaho National Laboratory are restarting the TREAT reactor (Transient Reactor Test facility) and are interested in updating the reactor's instrumentation regarding the analysis of the test fuel. The ability of optical fibers to make distributed temperature measurements coupled with its small footprint makes optical fiber a viable candidate to monitor fuel performance in the TREAT reactor. The work presented in this paper focuses on the radiation hardness of various types of optical fiber Bragg gratings. Previous experiments have shown that the inscription of Bragg gratings into optical fiber can extend the radiation survivability of distributed sensing in optical fibers, and so the goal is to determine which types of Bragg gratings survive the best in a reactor environment.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2017

Design and impact assessment of watershed investments: An approach based on ecosystem services and boundary work

Watershed investments, whose main aim is to secure water for cities, represent a promising opportunity for large-scale sustainability transitions in the near future. If properly designed, they promote activities in the watershed that enhance ecosystem services while protecting nature and biodiversity, as well as achieving other societal goals. In this paper, we build on the concepts of ecosystem services and boundary work, to develop and test an operative approach for designing and assessing the impact of watershed investments. The approach is structured to facilitate negotiations among stakeholders. Its strategic component includes setting the agenda; defining investment scenarios; and assessing the performance of watershed investments as well as planning for a follow-up. Its technical component concerns data processing; tailoring spatially explicit ecosystem service models; hence their application to design a set of “investment portfolios”, generate future land use scenarios, and model impacts on selected ecosystem services. A case study illustrates how the technical component can be developed in a data scarce context in sub-Saharan Africa in a way that is functional to support the steps of the strategic component. The case study addresses soil erosion and water scarcity-related challenges affecting Asmara, a medium-sized city in Eritrea, and considers urban water security and rural poverty alleviation as two illustrative objectives, within a ten-year planning horizon. The case study results consist in spatially explicit data (investment portfolio, land use scenario, impact on ecosystem services), which were aggregated to quantitatively assess the performance of different watershed investments scenarios, in terms of changes in soil erosion control. By addressing stakeholders' concerns of credibility, saliency, and legitimacy, the approach is expected to facilitate negotiation of objectives, definition of scenarios, and assessment of alternative watershed investments, ultimately, to contribute to implementing an adaptive watershed management.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Revealing the roles of the solid–electrolyte interphase in designing stable, fast-charging, low-temperature Li-ion batteries

Designing the solid–electrolyte interphase (SEI) is critical for stable, fast-charging, low-temperature Li-ion batteries. Fostering a “fluorinated interphase,” SEI enriched with LiF, has become a popular design strategy. Although LiF possesses low Li-ion conductivity, many studies have reported favorable battery performance with fluorinated SEIs. Such a contradiction suggests that optimizing SEI must extend beyond chemical composition design to consider spatial distributions of different chemical species. In this work, we demonstrate that the impact of a fluorinated SEI on battery performance should be evaluated on a case-by-case basis. Sufficiently passivating the anode surface without impeding Li-ion transport is key. We reveal that a fluorinated SEI containing excessive and dense LiF severely impedes Li-ion transport. In contrast, a fluorinated SEI with well-dispersed LiF (i.e., small LiF aggregates well mixed with other SEI components) is advantageous, presumably due to the enhanced Li-ion transport across heterointerfaces between LiF and other SEI components. An electrolyte, 1 M LiPF 6 in 2-methyl tetrahydrofuran (2MeTHF), yields a fluorinated SEI with dispersed LiF. This electrolyte allows anodes of graphite, μSi/graphite composite, and pure Si to all deliver a stable Coulombic efficiency of 99.9% and excellent rate capability at low temperatures. Pouch cells containing layered cathodes also demonstrate impressive cycling stability over 1,000 cycles and exceptional rate capability down to −20 °C. Through experiments and theoretical modeling, we have identified a balanced SEI-based approach that achieves stable, fast-charging, low-temperature Li-ion batteries.

25 ENERGY STORAGE↗

DOE OSTI2012

Quantitative Thermal Imaging of Single-Walled Carbon Nanotube Devices by Scanning Joule Expansion Microscopy

Electrical generation of heat in single-walled carbon nanotubes (SWNTs) and subsequent thermal transport into the surroundings can critically affect the design, operation, and reliability of electronic and optoelectronic devices based on these materials. Here we investigate such heat generation and transport characteristics in perfectly aligned, horizontal arrays of SWNTs integrated into transistor structures. We present quantitative assessments of local thermometry at individual SWNTs in these arrays, evaluated using scanning Joule expansion microscopy. Measurements at different applied voltages reveal electronic behaviors, including metallic and semiconducting responses, spatial variations in diameter or chirality, and localized defect sites. Furthermore, analytical models, validated by measurements performed on different device structures at various conditions, enable accurate, quantitative extraction of temperature distributions at the level of individual SWNTs. Using current equipment, the spatial resolution and temperature precision are as good as ~100 nm and ~0.7 K, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗