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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

HP-LSP: A reference of land surface phenology from fused Harmonized Landsat and Sentinel-2 with PhenoCam data

Abstract Land surface phenology (LSP) products are currently of large uncertainties due to cloud contaminations and other impacts in temporal satellite observations and they have been poorly validated because of the lack of spatially comparable ground measurements. This study provided a reference dataset of gap-free time series and phenological dates by fusing the Harmonized Landsat 8 and Sentinel-2 (HLS) observations with near-surface PhenoCam time series for 78 regions of 10 × 10 km 2 across ecosystems in North America during 2019 and 2020. The HLS-PhenoCam LSP (HP-LSP) reference dataset at 30 m pixels is composed of: (1) 3-day synthetic gap-free EVI2 (two-band Enhanced Vegetation Index) time series that are physically meaningful to monitor the vegetation development across heterogeneous levels, train models (e.g., machine learning) for land surface mapping, and extract phenometrics from various methods; and (2) four key phenological dates (accuracy ≤5 days) that are spatially continuous and scalable, which are applicable to validate various satellite-based phenology products (e.g., global MODIS/VIIRS LSP), develop phenological models, and analyze climate impacts on terrestrial ecosystems.

Science & Technology - Other Topics↗
DOE OSTI2023

Meteorological, reference evapotranspiration and estimated transpiration data, July 2020-Dec 2021, Slate River Floodplain, Crested Butte, Colorado

This data package includes a time series of meteorological data (air temperature, relative humidity, barometric pressure, precipitation, wind speed, soil heat flux, incoming shortwave radiation, incoming longwave radiation, outgoing shortwave radiation and outgoing longwave radiation) from the Slate River floodplain outside Crested Butte, Colorado, a focus field site for the SLAC Floodplain Hydro-Biogeochemistry SFA. The data was generated as part of the work targeting the overarching research question for the SLAC SFA: How do ubiquitous subsurface interfaces mediate molecular-scale biogeochemical processes and groundwater quality in floodplains and watersheds? The package also includes reference evapotranspiration calculated via the Penman-Monteith equation and an estimate of willow (Salix spp.) evapotranspiration using the method of Irmak et al., J. Hydrology, 2013. Due to two malfunctioning sensors (incoming shortwave radiation from Oct 2020-May 2021 and incoming longwave radiation from May 2021-March 2022), observed net radiation and calculated evapotranspiration are only included from July-October 2020. However, users may be able to extend calculated evapotranspiration using estimates of these two parameters from other sources. Both sensors have been replaced and data beyond 2021 be uploaded to this repository when it is available.Within the data package, "FLMD.csv" describes file-level metadata and "dd.csv" defines column headers and universal terms across the dataset. The data package includes 3 "*data.csv" files, two for meteorological data for 2020 and 2021 and one for reference evapotranspiration and transpiration data from 2020 ("SLT_OBJ2_PenmanMonteith_2020_data.csv"). Each "*data.csv" file of meteorological data has a corresponding "*_InstallationMethods.csv" file that describes the location, sensor model, sensor serial number and other metadata corresponding to each measured parameter. We also include a Jupyter notebook ("PenmanMonteithET_Calculations.ipynb") that details the assumptions and equations used to calculate daily and hourly reference evapotranspiration and daily willow transpiration from raw meteorological data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Risks to Ecological Receptors Posed by Contaminants of Potential Concern in the Lower Three Runs Cooling Ponds and Canals

The upper portion of Lower Three Runs includes several ponds, reservoirs, and canals that were formerly used as a cooling system for nuclear production reactors. This area was divided into nine exposure areas (EAs) for the assessment of environmental contamination resulting from past reactor operations and other industrial processes. A tiered screening process identified several contaminants of potential concern including aluminum, cyanide, lead, manganese, mercury, DDD, DDE, and DDT. Risks posed by these contaminants to ecological receptors (river otter, belted kingfisher, raccoon, and blue heron) were assessed using contaminant exposure models that estimated contaminant intake resulting from ingestion of food, water, and sediment/ soil and compared these intakes with toxicity reference values (TRVs). The contaminant exposure models showed that the TRVs were not exceeded in the otter model, exceeded by aluminum in EA 7 (Pond 2 and associated canals) in the raccoon model, and exceeded by mercury in EAs 2, 3 (Pond B), 6 (Par Pond), and 8 (Ponds 4 and 5 and Canal to Pond C) in both the kingfisher and blue heron models. Hazard quotients (total exposure dose divided by the TRV) were 2.8 for aluminum and 1.7- 3.6 for mercury. The primary route of exposure for aluminum was the ingestion of soil, and the primary route of exposure for mercury was the ingestion of mercury contaminated fish. Elevated levels of mercury in fish were at least partly the result of the aerial deposition of mercury onto Lower Three Runs and its watershed. The atmospheric deposition of mercury creates pervasive contamination in fish throughout the Savannah River basin. Another possible source of mercury was the discharge of mercury contaminated Savannah River water into the Lower Three Runs cooling ponds and canals during previous years of reactor operation. This contamination originated from industries located upstream of the SRS. The aluminum exceedance for the raccoon was likely the result of naturally high aluminum levels in SRS soils rather than SRS operations. Aluminum exceedances have previously been observed in relatively undisturbed background locations as well as areas affected by SRS operations. Aluminum exceedances are more likely with the raccoon than the other receptors because it consumes more soil as a result of its feeding habits. Sensitivity analysis showed that model uncertainty can be reduced by adequate sampling of key variables (e.g., fish and sediments). Although sediment samples were collected from all EAs, fish samples were not collected from three EAs and some analytes (pesticides and cyanide) were not measured in fish. Water-to-fish concentration ratios were used to estimate contaminant levels in fish when direct measurements from fish were unavailable; however, such estimates are potentially less accurate than direct measurements.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Global data set of biogenic VOC emissions calculated by the MEGAN model over the last 30 years

The Model of Emissions of Gases and Aerosols from Nature (MEGANv2.1) together with the Modern-Era Retrospective Analysis for Research and Applications (MERRA) meteorological fields were used to create a global emission dataset of biogenic VOCs available on a monthly basis for the time period of 1980 - 2010. This dataset is called MEGAN-MACC. The model estimated mean annual total BVOC emission of 760 Tg(C) yr1 consisting of isoprene (70%), monoterpenes (11%), methanol (6%), acetone (3%), sesquiterpenes (2.5%) and other BVOC species each contributing less than 2 %. Several sensitivity model runs were performed to study the impact of different model input and model settings on isoprene estimates and resulted in differences of * 17% of the reference isoprene total. A greater impact was observed for sensitivity run applying parameterization of soil moisture deficit that led to a 50% reduction of isoprene emissions on a global scale, most significantly in specific regions of Africa, South America and Australia. MEGAN-MACC estimates are comparable to results of previous studies. More detailed comparison with other isoprene in ventories indicated significant spatial and temporal differences between the datasets especially for Australia, Southeast Asia and South America. MEGAN-MACC estimates of isoprene and*-pinene showed a reasonable agreement with surface flux measurements in the Amazon andthe model was able to capture the seasonal variation of emissions in this region.

Sindelarova, K.↗
DOE OSTI2022

Roadmap to Advance Heliostat Technologies for Concentrating Solar-Thermal Power

Heliostat-based concentrating solar-thermal power (CSP) systems can offer immense potential to provide low-cost, dispatchable renewable thermal and electrical energy to help achieve 100% decarbonized energy infrastructure in the United States. Heliostats are a major capital cost technology and a performance-dominating component of state-of-the-art commercial molten salt towers and Generation 3 CSP systems. In 2021, the U.S. Department of Energy (DOE) Solar Energy Technologies Office (SETO) launched the Heliostat Consortium (HelioCon), a five-year initiative to advance heliostat technologies. The HelioCon mission is threefold: (1) establish strategic core testing and modeling capabilities and infrastructure at national labs; (2) support heliostat technology development in relevant industries; and (3) serve as a central repository to integrate industry, academia, and other stakeholders for heliostat technology research, development, validation, and deployment. In this report, HelioCon presents a roadmapping study on advancing heliostat technologies, intended as a central reference for the whole CSP community.

14 SOLAR ENERGY↗
DOE OSTI2014

Damsel: A Data Model Storage Library for Exascale Science

Computational science applications have been described as having one of seven motifs (the “seven dwarfs”), each having a particular pattern of computation and communication. From a storage and I/O perspective, these applications can also be grouped into a number of data model motifs describing the way data is organized and accessed during simulation, analysis, and visualization. Major storage data models developed in the 1990s, such as Network Common Data Format (netCDF) and Hierarchical Data Format (HDF) projects, created support for more complex data models. Development of both netCDF and HDF5 was influenced by multi-dimensional dataset storage requirements, but their access models and formats were designed with sequential storage in mind (e.g., a POSIX I/O model). Although these and other high-level I/O libraries have had a beneficial impact on large parallel applications, they do not always attain a high percentage of peak I/O performance due to fundamental design limitations, and they do not address the full range of current and future computational science data models. The goal of this project is to enable exascale computational science applications to interact conveniently and efficiently with storage through abstractions that match their data models. The project consists of three major activities: (1) identifying major data model motifs in computational science applications and developing representative benchmarks; (2) developing a data model storage library, called Damsel, that supports these motifs, provides efficient storage data layouts, incorporates optimizations to enable exascale operation, and is tolerant to failures; and (3) productizing Damsel and working with computational scientists to encourage adoption of this library by the scientific community. The product of this project, Damsel library, is openly available for download from http://cucis.ece.northwestern.edu/projects/DAMSEL. Several case studies and application programming interface reference are also available to assist new users to learn to use the library.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Ureter tracking and segmentation in CT urography (CTU) using COMPASS

Purpose: The authors are developing a computerized system for automated segmentation of ureters in CTU, referred to as combined model-guided path-finding analysis and segmentation system (COMPASS). Ureter segmentation is a critical component for computer-aided diagnosis of ureter cancer. Methods: COMPASS consists of three stages: (1) rule-based adaptive thresholding and region growing, (2) path-finding and propagation, and (3) edge profile extraction and feature analysis. With institutional review board approval, 79 CTU scans performed with intravenous (IV) contrast material enhancement were collected retrospectively from 79 patient files. One hundred twenty-four ureters were selected from the 79 CTU volumes. On average, the ureters spanned 283 computed tomography slices (range: 116–399, median: 301). More than half of the ureters contained malignant or benign lesions and some had ureter wall thickening due to malignancy. A starting point for each of the 124 ureters was identified manually to initialize the tracking by COMPASS. In addition, the centerline of each ureter was manually marked and used as reference standard for evaluation of tracking performance. The performance of COMPASS was quantitatively assessed by estimating the percentage of the length that was successfully tracked and segmented for each ureter and by estimating the average distance and the average maximum distance between the computer and the manually tracked centerlines. Results: Of the 124 ureters, 120 (97%) were segmented completely (100%), 121 (98%) were segmented through at least 70%, and 123 (99%) were segmented through at least 50% of its length. In comparison, using our previous method, 85 (69%) ureters were segmented completely (100%), 100 (81%) were segmented through at least 70%, and 107 (86%) were segmented at least 50% of its length. With COMPASS, the average distance between the computer and the manually generated centerlines is 0.54 mm, and the average maximum distance is 2.02 mm. With our previous method, the average distance between the centerlines was 0.80 mm, and the average maximum distance was 3.38 mm. The improvements in the ureteral tracking length and both distance measures were statistically significant (p < 0.0001). Conclusions: COMPASS improved significantly the ureter tracking, including regions across ureter lesions, wall thickening, and the narrowing of the lumen.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Experimental constraints on the sound velocities of cementite Fe 3 C to core pressures

Sound velocities of cementite Fe 3 C have been measured up to 1.5 Mbar and at 300 K in a diamond anvil cell using the nuclear resonant inelastic X-ray scattering (NRIXS) technique. From the partial phonon density of states (pDOS) and equation of state (EOS) of Fe 3 C, we derived its elastic parameters including shear modulus, compressional (V-p) and shear-wave (V-s) velocities to core pressures. A pressure-induced spin-pairing transition in the powdered Fe3C sample was found to occur gradually between 10 and 50 GPa by the X-ray Emission Spectroscopy (XES) measurements. Following the completion of the spin-pairing transition, the V p and V s of low-spin Fe 3 C increased with pressure at a markedly lower rate than its high-spin counterpart. Our results suggest that the incorporation of carbon in solid iron to form iron carbide phases, Fe 3 C and Fe 7 C 3 , could effectively lower the V s but respectively raise the Poisson's ratio by 0.05 and 0.07 to approach the seismically observed values for the Earth's inner core. In conclusion, the comparison with the preliminary reference Earth model (PREM) implies that an inner core composition containing iron and its carbon-rich alloys can satisfactorily explain the observed seismic properties of the inner core.

58 GEOSCIENCES↗
DOE OSTI2013

A multi-objective programming model for assessment the GHG emissions in MSW management

Highlights: • The multi-objective multi-period optimization model. • The solution approach for the generation of the Pareto front with mathematical programming. • The very detailed description of the model (decision variables, parameters, equations). • The use of IPCC 2006 guidelines for landfill emissions (first order decay model) in the mathematical programming formulation. - Abstract: In this study a multi-objective mathematical programming model is developed for taking into account GHG emissions for Municipal Solid Waste (MSW) management. Mathematical programming models are often used for structure, design and operational optimization of various systems (energy, supply chain, processes, etc.). The last twenty years they are used all the more often in Municipal Solid Waste (MSW) management in order to provide optimal solutions with the cost objective being the usual driver of the optimization. In our work we consider the GHG emissions as an additional criterion, aiming at a multi-objective approach. The Pareto front (Cost vs. GHG emissions) of the system is generated using an appropriate multi-objective method. This information is essential to the decision maker because he can explore the trade-offs in the Pareto curve and select his most preferred among the Pareto optimal solutions. In the present work a detailed multi-objective, multi-period mathematical programming model is developed in order to describe the waste management problem. Apart from the bi-objective approach, the major innovations of the model are (1) the detailed modeling considering 34 materials and 42 technologies, (2) the detailed calculation of the energy content of the various streams based on the detailed material balances, and (3) the incorporation of the IPCC guidelines for the CH{sub 4} generated in the landfills (first order decay model). The equations of the model are described in full detail. Finally, the whole approach is illustrated with a case study referring to the application of the model in a Greek region.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Hydrogeologic Model Based on Reduced Complexity

This data set provides the basic hydrogeologic model used for development of the TOUGH2 reservoir modeling results for the Kimberlina site. The hydrogeologic model is based on the static geologic model provided as a separate data set but has some simplifications regarding the geologic layers. Some geologic layers have been merged for the hydrogeologic model because the hydrogeologic properties were very similar. The data set contains several files. The word file explains the structure of the data files. The pdf contains a table with the hydrogeologic properties. The data set also includes 15 thickness files for 15 geological layers (including 3 Vedder sand layers and 3 Vedder shale layers), three elevations files (with reference elevation at ground surface/model top at 9000 m), and one fault trace file for seven faults. Most users may only need 2-3 faults close to the injection well (also see the figure). The arrangement of these layer thickness and elevations files can be see from the three layer files (for Tecplot). To develop a grid structure, start with the Vedder top elevation (REFVedderTop.dat) and add/subtract the thicknesses of layers above/below.

3D Groundwater Model↗
DOE OSTI2014

Healthy Zero Energy Buildings (HZEB) Program - Cross-Sectional Study of Contaminant Levels, Source, Strengths, and Ventilation Rates in Retail Stores

This field study measured ventilation rates and indoor air quality parameters in 21 visits to retail stores in California. The data was collected to guide the development of new, science-based commercial building ventilation rate standards that balance the dual objectives of increasing energy efficiency and maintaining acceptable indoor air quality. Data collection occurred between September 2011 and March 2013. Three types of stores participated in this study: grocery stores, furniture/hardware stores, and apparel stores. Ventilation rates and indoor air contaminant concentrations were measured on a weekday, typically between 9 am and 6 pm. Ventilation rates measured using a tracer gas decay method exceeded the minimum requirement of California’s Title 24 Standard in all but one store. Even though there was adequate ventilation according to Title 24, concentrations of formaldehyde, acetaldehyde, and acrolein exceeded the most stringent chronic health guidelines. Other indoor air contaminants measured included carbon dioxide (CO{sub 2}), carbon monoxide (CO), ozone (O{sub 3}), and particulate matter (PM). Concentrations of CO{sub 2} were kept low by adequate ventilation, and were assumed low also because the sampling occurred on a weekday when retail stores were less busy. CO concentrations were also low. The indoor-outdoor ratios of O{sub 3} showed that the first-order loss rate may vary by store trade types and also by ventilation mode (mechanical versus natural). Analysis of fine and ultrafine PM measurements showed that a substantial portion of the particle mass in grocery stores with cooking-related emissions was in particles less than 0.3 μm. Stores without cooking as an indoor source had PM size distributions that were more similar indoors and outdoors. The whole-building emission rates of volatile organic compounds (VOCs) and PM were estimated from the measured ventilation rates and indoor and outdoor contaminant concentrations. Mass balance models were then used to determine the ventilation rates, filtration strategies, or source reductions needed to maintain indoor contaminant concentrations below reference levels. Several scenarios of potential concern were considered: (i) formaldehyde levels in furniture/hardware stores, (ii) contaminants associated with cooking (e.g., PM, acrolein, and acetaldehyde) in grocery stores, and (iii) outdoor contaminants (e.g., PM and O{sub 3}) impacting stores that use natural ventilation. Estimated formaldehyde emission rates suggest that retail stores would need to ventilate at levels far exceeding the current Title 24 requirement to lower indoor concentrations below California’s stringent formaldehyde reference level. Given the high costs of providing ventilation but only modest chronic health benefit is expected, effective source control is an attractive alternative, as demonstrated by some retail stores in this study. Predictions showed that grocery stores need MERV 13 air filters, instead of MERV 8 filters that are more commonly used, to maintain indoor PM at levels that meet the chronic health standards for PM. Exposure to acrolein is a potential health concern in grocery stores, and should be addressed by increasing the use of kitchen range hoods or improving their contaminant removal efficiency. In stores that rely on natural ventilation, indoor PM can be a health concern if the stores are located in areas with high outdoor PM. This concern may be addressed by switching to mechanical ventilation when the outdoor air quality is poor, while continuing natural ventilation when outdoor air quality is good.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2019

Twisted fracton models in three dimensions

We study novel three-dimensional gapped quantum phases of matter which support quasiparticles with restricted mobility, including immobile “fracton” excitations. So far, most existing fracton models may be instructively viewed as generalized Abelian lattice gauge theories. Here, by analogy with Dijkgraaf-Witten topological gauge theories, we discover a natural generalization of fracton models, obtained by twisting the gauge symmetries. Introducing generalized gauge transformation operators carrying an extra phase factor depending on local configurations, we construct a plethora of exactly solvable three-dimensional models, which we dub “twisted fracton models.” A key result of our approach is to demonstrate the existence of rich non-Abelian fracton phases of distinct varieties in a three-dimensional system with finite-range interactions. For an accurate characterization of these novel phases, the notion of being inextricably non-Abelian is introduced for fractons and quasiparticles with one-dimensional mobility, referring to their new behavior of displaying braiding statistics that is, and remains, non-Abelian regardless of which quasiparticles with higher mobility are added to or removed from them. We also analyze these models by embedding them on a 3-torus and computing their ground-state degeneracies, which exhibit a surprising and novel dependence on the system size in the non-Abelian fracton phases. Furthermore, as an important advance in the study of fracton order, we develop a general mathematical framework which systematically captures the fusion and braiding properties of fractons and other quasiparticles with restricted mobility.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

CBP Toolbox Version 2.0: Code Integration Enhancements

This report describes enhancements made to code integration aspects of the Cementitious Barriers Project (CBP) Toolbox as a result of development work performed at the Savannah River National Laboratory (SRNL) in collaboration with Vanderbilt University (VU) in the first half of fiscal year 2013. Code integration refers to the interfacing to standalone CBP partner codes, used to analyze the performance of cementitious materials, with the CBP Software Toolbox. The most significant enhancements are: 1) Improved graphical display of model results. 2) Improved error analysis and reporting. 3) Increase in the default maximum model mesh size from 301 to 501 nodes. 4) The ability to set the LeachXS/Orchestra simulation times through the GoldSim interface. These code interface enhancements have been included in a new release (Version 2.0) of the CBP Toolbox.

36 MATERIALS SCIENCE↗
DOE OSTI2023

CORPSE model with litter decomposition parameters derived from the LIDET dataset

This is a version of the CORPSE model (Carbon, Organisms, Rhizosphere and Protection in the Soil Environment, Sulman et al. 2014) that uses litter decomposition parameters derived from a modified Monte Carlo simulation using the LIDET litter decomposition dataset (Long-term Intersite Decomposition Experiment Team, Harmon 2013). The code also includes the Baseline parameters, and the eight other best parameter sets identified in a modified Monte Carlo simulation. Related publication:Juice, S.M., Ridgeway, J.R., Hartman, M.D., Parton, W.J., Berardi, D.M., Sulman, B.N., Allen, K.E., & Brzostek, E.R. Reparameterizing litter decomposition using a simplified Monte Carlo method improves litter decay simulated by a microbial model and alters bioenergy soil carbon estimates. Description of files:The folder "Input Files" contains one folder for each LIDET site with data necessary to run the model. Note that "(site)" in the filenames below indicates where the LIDET site code appears (see Table 1 for site codes). Data streams include: CORPSE_full_spinup_litter.csv, CORPSE_full_spinup_rhizo.csv, CORPSE_full_spinup_bulk.csv, litterbag_init_100g_6spp.csv: initial C and N (kg C or N/m2) pool values for each soil layer, the litterbag_init_100_6spp.csv file is for the litterbag layer and is the same file for all sites. All initial C and N files have the same columns (Column - Description - Units) uFastC - Unprotected fast decomposing carbon - kg carbon/m2 uSlowC - Unprotected slow decomposing carbon - kg carbon/m2 uNecroC - Unprotected necromass carbon - kg carbon/m2 pFastC - Protected fast decomposing carbon - kg carbon/m2 pSlowC - Protected slow decomposing carbon - kg carbon/m2 pNecroC - Protected necromass carbon - kg carbon/m2 livingMicrobeC - Carbon in living microbial biomass - kg carbon/m2 uFastN - Unprotected fast decomposing nitrogen - kg nitrogen/m2 uSlowN - Unprotected slow decomposing nitrogen - kg nitrogen/m2 uNecroN - Unprotected necromass nitrogen - kg nitrogen/m2 pFastN - Protected fast decomposing nitrogen - kg nitrogen/m2 pSlowN - Protected slow decomposing nitrogen - kg nitrogen/m2 pNecroN - Protected necromass nitrogen - kg nitrogen/m2 inorganicN - Inorganic nitrogen - kg nitrogen/m2 CO2 - Carbon in carbon dioxide - kg carbon/m2 livingMicrobeN - Nitrogen in living microbial biomass - kg nitrogen/m2 soilT (site) DOY274start.csv: Average daily soil temperature (oC) interpolated from previously calculated monthly values used in DayCent LIDET simulations (Bonan et al., 2013). soilT (site) DOY274start.csv: Average daily soil volumetric water content (VWC) scalar interpolated from previously calculated monthly values used in DayCent LIDET simulations (Bonan et al., 2013). litter production.csv: Average daily litter production values for each site, data sources listed in Table S3 of related publication. litter (site) CN.csv: C:N ratio for each species from LIDET dataset (Table 2, Harmon 2013). (site).csv: Table indicating number of observations for each species decomposed at each site. Instructions: Save the model code ("CORPSE_LIDET.R") and "Input Files" folder in the same folder. Also make a folder for the model output (e.g., "results_Baseline") in the same folder. Set the working directory (setwd) in the model code to the folder with the files saved in step #1. Select the parameter set to use for the litter and litterbag compartments, comment out all other parameter sets. Run code. Output will be saved in the folder made in step 1. Output destination can be changed as necessary in code section called "Running the model." Table 1 LIDET sites and site codes used in model files. Site Code - Site AND - H.J. Andrews Experimental Forest BNZ - Bonanza Creek Experimental Forest BSF - Blodgett Research Forest CDR - Cedar Creek Natural History Area CPR - Central Plains Experimental Range HBR - Hubbard Brook Experimental Forest HFR - Harvard Forest JUN - Juneau KBS - Kellogg Biological Station KNZ - Konza Prairie Research Natural Area NWT - Niwot Ridge/Green Lakes Valley OLY - Olympic National Park OLY Conifer forest SEV - Sevilleta National Wildlife Refuge SMR - Santa Margarita Ecological Reserve UFL - University of Florida VCR - Virginia Coast Reserve Table 2 LIDET species and species codes used in model files (6 common species). Species - Species Code Sugar maple (Acer saccharum) - ACSA Drypetes (Drypetes glauca) - DRGL Red pine (Pinus resinosa) - PIRE Chestnut oak (Quercus prinus) - QUPR Western redcedar (Thuja plicata) - THPL Wheat (Triticum aestivum) - TRAE References:Bonan, G. B., Hartman, M. D., Parton, W. J., & Wieder, W. R. (2013). Evaluating litter decomposition in earth system models with long-term litterbag experiments: an example using the Community Land Model version 4 (CLM4). Global Change Biology, 19(3), 957-974. https://doi.org/https://doi.org/10.1111/gcb.12031 Harmon, M. (2013). LTER Intersite Fine Litter Decomposition Experiment (LIDET), 1990 to 2002. Long-Term Ecological Research. Forest Science Data Bank, Corvallis, OR. [Data set]. Accessed http://andlter.forestry.oregonstate.edu/data/abstract.aspx?dbcode=TD023. https://doi.org/10.6073/pasta/f35f56bea52d78b6a1ecf1952b4889c5. Sulman, B. N., Phillips, R. P., Oishi, A. C., Shevliakova, E., & Pacala, S. W. (2014). Microbe-driven turnover offsets mineral-mediated storage of soil carbon under elevated CO2. Nature Climate Change, 4, 1099 - 1102. https://doi.org/10.1038/nclimate2436

Juice, Stephanie↗
DOE OSTI2016

Comparable Senescence Induction in Three-dimensional Human Cartilage Model by Exposure to Therapeutic Doses of X-rays or C-ions

Purpose: Particle therapy using carbon ions (C-ions) has been successfully used in the treatment of tumors resistant to conventional radiation therapy. However, the potential side effects to healthy cartilage exposed to lower linear energy transfer (LET) ions in the beam track before the tumor have not been evaluated. The aim of the present study was to assess the extent of damage after C-ion irradiation in a 3-dimensional (3D) cartilage model close to human homeostasis. Methods and Materials: Primary human articular chondrocytes from a healthy donor were cultured in a collagen scaffold to construct a physioxic 3D cartilage model. A 2-dimensional (2D) culture was used as a reference. The cells were irradiated with a single dose of a monoenergetic C-ion beam with a LET of approximatively 30 keV/μm. This LET corresponds to the entrance channel of C-ions in the shallow healthy tissues before the spread-out Bragg peak (∼100 keV/μm) during hadron therapy protocols. The same dose of X-rays was used as a reference. Survival, cell death, and senescence assays were performed. Results: As expected, in the 2D culture, C-ions were more efficient than X-rays in reducing cell survival with a relative biological effectiveness of 2.6. This correlated with stronger radiation-induced senescence (two-fold) but not with higher cell death induction. This differential effect was not reflected in the 3D culture. Both ionizing radiation types induced a comparable rate of senescence induction in the 3D model. Conclusions: The greater biological effectiveness of C-ions compared with low LET radiation when evaluated in treatment planning systems might be misevaluated using 2D culture experiments. Radiation-induced senescence is an important factor of potential cartilage attrition. The present data should encourage the scientific community to use relevant models and beams to improve the use of charged particles with better safety for patients.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2021

A Comparison of Exact and Model Exchange–Correlation Potentials for Molecules

Accurate exchange–correlation (XC) potentials for three-dimensional systems–via solution of the inverse density functional theory (DFT) problem–are now available to test the quality of DFT approximations. Herein, the exact XC potential for seven molecules–dihydrogen at four different bond-lengths, lithium hydride, water, and ortho-benzyne–are computed from full configuration interaction reference densities. These are compared to model XC potentials from nonlocal (B3LYP, HSE06, SCAN0, and M08-HX) and semilocal/local (SCAN, PBE, and PW92) XC functionals. Whereas for most systems, relative errors in the ground-state densities are O(10 –3 –10 –2 ) , the model XC potentials have much higher errors of O(10 –1 –10 0 ) . Among the model XC functionals, SCAN0 offers the best agreement with the exact XC potential, underlining the significance of satisfying exact conditions as well as including nonlocal effects in XC functionals. This work indicates that tests against the exact XC potential will provide a promising new direction for building more accurate XC functionals for DFT.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

FY2015 ceramic fuels development annual highlights

Key challenges for the Advanced Fuels Campaign are the development of fuel technologies to enable major increases in fuel performance (safety, reliability, power and burnup) beyond current technologies, and development of characterization methods and predictive fuel performance models to enable more efficient development and licensing of advanced fuels. Ceramic fuel development activities for fiscal year 2015 fell within the areas of 1) National and International Technical Integration, 2) Advanced Accident Tolerant Ceramic Fuel Development, 3) Advanced Techniques and Reference Materials Development, and 4) Fabrication of Enriched Ceramic Fuels. High uranium density fuels were the focus of the ceramic fuels efforts. Accomplishments for FY15 primarily reflect the prioritization of identification and assessment of new ceramic fuels for light water reactors which have enhanced accident tolerance while also maintaining or improving normal operation performance, and exploration of advanced post irradiation examination techniques which will support more efficient testing and qualification of new fuel systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

FY2016 Ceramic Fuels Development Annual Highlights

Key challenges for the Advanced Fuels Campaign are the development of fuel technologies to enable major increases in fuel performance (safety, reliability, power and burnup) beyond current technologies, and development of characterization methods and predictive fuel performance models to enable more efficient development and licensing of advanced fuels. Ceramic fuel development activities for fiscal year 2016 fell within the areas of 1) National and International Technical Integration, 2) Advanced Accident Tolerant Ceramic Fuel Development, 3) Advanced Techniques and Reference Materials Development, and 4) Fabrication of Enriched Ceramic Fuels. High uranium density fuels were the focus of the ceramic fuels efforts. Accomplishments for FY16 primarily reflect the prioritization of identification and assessment of new ceramic fuels for light water reactors which have enhanced accident tolerance while also maintaining or improving normal operation performance, and exploration of advanced post irradiation examination techniques which will support more efficient testing and qualification of new fuel systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗