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DOE OSTI2013

Surgeons' Knowledge and Practices Regarding the Role of Radiation Therapy in Breast Cancer Management

Purpose: Population-based studies suggest underuse of radiation therapy, especially after mastectomy. Because radiation oncology is a referral-based specialty, knowledge and attitudes of upstream providers, specifically surgeons, may influence patients' decisions regarding radiation, including whether it is even considered. Therefore, we sought to evaluate surgeons' knowledge of pertinent risk information, their patterns of referral, and the correlates of surgeon knowledge and referral in specific breast cancer scenarios. Methods and Materials: We surveyed a national sample of 750 surgeons, with a 67% response rate. We analyzed responses from those who had seen at least 1 breast cancer patient in the past year (n=403), using logistic regression models to identify correlates of knowledge and appropriate referral. Results: Overall, 87% of respondents were general surgeons, and 64% saw >10 breast cancer patients in the previous year. In a scenario involving a 45-year-old undergoing lumpectomy, only 45% correctly estimated the risk of locoregional recurrence without radiation therapy, but 97% would refer to radiation oncology. In a patient with 2 of 20 nodes involved after mastectomy, 30% would neither refer to radiation oncology nor provide accurate information to make radiation decisions. In a patient with 4 of 20 nodes involved after mastectomy, 9% would not refer to radiation oncology. Fewer than half knew that the Oxford meta-analysis revealed a survival benefit from radiation therapy after lumpectomy (45%) or mastectomy (32%). Only 16% passed a 7-item knowledge test; female and more-experienced surgeons were more likely to pass. Factors significantly associated with appropriate referral to radiation oncology included breast cancer volume, tumor board participation, and knowledge. Conclusions: Many surgeons have inadequate knowledge regarding the role of radiation in breast cancer management, especially after mastectomy. Targeted educational interventions may improve the quality of care.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2022

Influence of alveolar mixing and multiple breaths of aerosol intake on particle deposition in the human lungs

Predictive dosimetry models play an important role in assessing health effect of inhaled particulate matter and in optimizing delivery of inhaled pharmaceutical aerosols. Here, in this study, the commonly used 1D Multiple-Path Particle Dosimetry model (MPPD) was improved by including a mechanistically based model component for alveolar mixing of particles and by extending the model capabilities to account for multiple breaths of aerosol intake. These modifications increased the retained fraction of particles and consequently particle deposition predictions in the deep lung during tidal breathing. Comparison with an existing dataset (J. Aerosol Sci., 99:27-39, 2016) obtained under two breathing conditions referred to as slow and fast breathing showed significant differences in 1 µm particle deposition between predictions (slow: 30±1%, fast: 21±1%) and measurements (slow: 43±9%, fast: 30±5%) when the prior version of MPPD (single breath and no mixing, J. Aerosol Sci., 151:105647, 2021) was used. Adding a mixing model and multiple breaths moved the predictions (slow: 34±2%, fast:25±2%) closer to the range of deposition measurements. For 2.9 µm particles, predictions from both the original (slow: 70±2%, fast: 57±2%) and the revised MPPD model (slow: 71±2%, fast: 59±3%) compared well with experiments (slow: 67±8%, fast: 58±10%). This was expected as suspended fraction of 2.9 µm particles was small and thus the addition of alveolar mixing and multi breath capability only slightly increased the retained fraction for particles of this size and greater. The revised 1D model improves dose predictions in the deep lung and support human risk assessment from exposure to airborne particles.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2017

Direct virtual photon production in Au+Au collisions at s N N = 200 GeV

We report the direct virtual photon invariant yields in the transverse momentum ranges 1 < p T < 3 GeV / c and 5 < p T < 10 GeV / c at mid-rapidity derived from the dielectron invariant mass continuum region 0.10 < M e e < 0.28 GeV / c 2 for 0–80% minimum-bias Au+Au collisions at s N N = 200 GeV . A clear excess in the invariant yield compared to the nuclear overlap function T A A scaled p + p reference is observed in the p T range 1 < p T < 3 GeV / c . For p T > 6 GeV / c the production follows T A A scaling. Model calculations with contributions from thermal radiation and initial hard parton scattering are consistent within uncertainties with the direct virtual photon invariant yield.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2015

Electron mobility enhancement in (100) oxygen-inserted silicon channel

High performance improvement (+88% in peak G{sub m} and >30% in linear and saturation region drain currents) was observed for N-MOSFETs with Oxygen-Inserted (OI) Si channel. From TCAD analysis of the C-V measurement data, the improvement was confirmed to be due to electron mobility enhancement of the OI Si channel (+75% at N{sub inv} = 4.0 × 10{sup 12} cm{sup −2} and +25% at N{sub inv} = 8.0 × 10{sup 12} cm{sup −2}). Raman and high-resolution Rutherford backscattering measurements confirmed that negligible strain is induced in the OI Si layer, and hence, it cannot be used to explain the origin of mobility improvement. Poisson-Schrödinger based quantum mechanical simulation was performed, taking into account phonon, surface roughness and Coulomb scatterings. The OI layer was modeled as a “quasi barrier” region with reference to the Si conduction band edge to confine inversion electrons. Simulation explains the measured electron mobility enhancement as the confinement effect of inversion electrons while the formation of an super-steep retrograde well doping profile in the channel (as a result of dopant diffusion blocking effect accompanied by introduction of the OI layer) also contributes 50%–60% of the mobility improvement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

Neutron Multiplicity Counting Moments for Fissile Mass Estimation in Scatter-Based Neutron Detection Systems

Neutron multiplicity counting (NMC) techniques are widely used for nuclear materials accountability and international safeguards applications to quantitatively evaluate characteristic properties pertaining to fissile material. Mathematical models for NMC moments have been previously derived for systems that use capture-based detectors; however, these models are not applicable when scatter-based detectors are used because of “neutron cross talk.” Neutron cross talk occurs when a single neutron scatters and deposits energy above threshold into multiple detectors causing spurious increase in multiplicity counts; this, in turn, has caused fissile mass to be overestimated when not treated. In this paper, we propose new mathematical models derived from point kinetics to correct for neutron cross-talk effects up to any arbitrary order N, where N denotes the maximum number of counts a single neutron can cause. The new models were used to estimate the fissile mass of plutonium metal and oxide samples with effective 240 Pu mass ranging from 2.5 to 250 g. The adequacy of the models was confirmed using simulations of a conceptual scatter-based neutron multiplicity counter (e.g., organic scintillators) using MCNPX v2.7e with the PoliMi fission event generating extension. The fissile mass estimates with no correction for neutron cross-talk events yielded an average relative deviation from the true 240 Pu eff mass of 55.94% and 84.56% for metal and oxide samples, respectively. When neutron cross-talk events of order N = 2 are included in the model, the fissile mass estimates yielded an average relative deviation of 11.89% for metal and 13.21% for oxide samples. Accounting for neutron cross-talk events of order N = 3 resulted in fissile mass estimates with an average relative deviation of 9.58% and 10.51% for metal and oxide samples, respectively. These mass estimates were compared to a reference case (i.e., no neutron crosstalk effects) that yielded an average relative deviation of 6.81% and 4.77% for metal and oxide samples, respectively. In conclusion, the discrepancy between the estimates from the proposed model and the reference case is attributed to the assumed value of N, which sets a finite upper bound on the order of cross-talk events the model treats (i.e., the model for N = 3 assumes that a neutron will never cause more than three counts).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2018

The KLIWAS North Sea Climatology. Part II: Assessment against Global Reanalyses

Observational reference datasets are needed in atmosphere and ocean for quality assessments of climate models and for the evaluation of atmospheric reanalyses. To meet this demand on the regional scale, the Climate Water Navigation (KLIWAS) North Sea climatology (KNSC) was developed. This paper uses KNSC to assess the quality of five atmospheric reanalysis products [ERA-40; ERA-Interim; NCEP-1; 20CR, version 2 (20CRv2); and MERRA] over the North Sea from 1979 to 2001. Differences in sea level pressure (2-m air temperature) can be found in coastal regions for ERA-40/ERA-Interim and MERRA, and are more pronounced during positive (negative) phases of the NAO. 20CRv2 shows biases over the entire North Sea and all seasons of several hectopascals. ERA-40 and ERA-Interim show a negative 2-m air temperature bias relative to KNSC along the coastal mainland of Europe, especially during winter months, possibly a result of a remaining land influence. Mean differences result from winter and fall, mostly remaining within measurement uncertainties. Despite the upgrades in the model setup, ERA-Interim shows negligible differences from ERA-40. 20CRv2 and MERRA show positive (negative) biases during the summer (winter) half year. NCEP-1 follows ERA-40/ERA-Interim but mostly with slightly higher differences. All five reanalyses reproduce the decadal variability and climate shift signals present in KNSC fields. Overall, only 20CRv2 has to be considered as clearly unsatisfactorily regarding biases, MAE, and RMSE compared to all other datasets investigated. This study suggests that similar intercomparison studies, performed over other parts of the world’s oceans, especially coastal regions, can be very helpful in identifying shortcomings in atmospheric reanalysis products.

Engineering↗

DOE OSTI2013

Environmental Impacts of Wind Power Development on the Population Biology of Greater Prairie-Chickens

1. We investigated the impacts of wind power development on the demography, movements, and population genetics of Greater Prairie-Chickens (Tympanuchus cupido) at three sites in northcentral and eastern Kansas for a 7-year period. Only 1 of 3 sites was developed for wind power, the 201MW Meridan Way Wind Power Facility at the Smoky Hills site in northcentral Kansas. Our project report is based on population data for prairie chickens collected during a 2-year preconstruction period (2007-2008), a 3-year postconstruction period (2009-2011) and one final year of lek surveys (2012). Where relevant, we present preconstruction data from our field studies at reference sites in the northern Flint Hills (2007-2009) and southern Flint Hills (2006-2008). 2. We addressed seven potential impacts of wind power development on prairie chickens: lek attendance, mating behavior, use of breeding habitat, fecundity rates, natal dispersal, survival rates, and population numbers. Our analyses of pre- and postconstruction impacts are based on an analysis of covariance design where we modeled population performance as a function of treatment period, distance to eventual or actual site of the nearest wind turbine, and the interaction of these factors. Our demographic and movement data from the 6-year study period at the Smoky Hills site included 23 lek sites, 251 radio-marked females monitored for 287 bird-years, and 264 nesting attempts. Our genetic data were based on genotypes of 1,760 females, males and chicks that were screened with a set of 27 microsatellite markers that were optimized in the lab. 3. In our analyses of lek attendance, the annual probability of lek persistence during the preconstruction period was ~0.9. During the postconstruction period, distance to nearest turbine did not have a significant effect on the probability of lek persistence. However, the probability of lek persistence increased from 0.69 at 0 m to 0.89 at 30 km from turbines, and most abandoned lek sites were located <5 km from turbines. Probability of lek persistence was significantly related to habitat and number of males. Leks had a higher probability of persistence in grasslands than agricultural fields, and increased from ~0.2 for leks of 5 males, to >0.9 for leks of 10 or more males. Large leks in grasslands should be a higher priority for conservation. Overall, wind power development had a weak effect on the annual probability of lek persistence. 3. We used molecular methods to investigate the mating behavior of prairie chickens. The prevailing view for lek-mating grouse is that females mate once to fertilize the clutch and that conspecific nest parasitism is rare. We found evidence that females mate multiple times to fertilize the clutch (8-18% of broods, 4-38% of chicks) and will parasitize nests of other females during egg-laying (~17% of nests). Variable rates of parentage were highest in the fragmented landscapes at the Smoky Hills field site, and were lower at the Flint Hills field site. Comparisons of the pre- and postconstruction periods showed that wind energy development did not affect the mating behaviors of prairie chickens. 4. We examined use of breeding habitats by radio-marked females and conducted separate analyses for nest site selection, and movements of females not attending nests or broods. The landscape was a mix of native prairie and agricultural habitats, and nest site selection was not random because females preferred to nest in grasslands. Nests tended to be closer to turbines during the postconstruction period and there was no evidence of behavioral avoidance of turbines by females during nest site selection. Movements of females not attending nests or broods showed that females crossed the site of the wind power development at higher rates during the preconstruction period (20%) than the postconstruction period (11%), and that movements away from turbines were more frequent during the postconstruction period. Thus, wind power development appears to affect movements in breeding habitats but not nest site selection of female prairie chickens during the breeding season. 5. We tested the effects of wind power development on five components of female fecundity: timing of clutch initiation, clutch size of first nests and renests, nest survival, and hatchability of eggs. Average date of clutch initiation was 26 April, clutch size was 12.7 and 10.6 eggs for first nests and renests, probability of nest survival was low at 0.18, but egg hatchability was high at 0.79. Wind power development had no impact on reproductive effort or nesting success, and all five components of fecundity were not related to treatment period or distance to turbine. Nest survival was the main factor limiting reproductive output of female prairie chickens and most losses were due to predation. Daily nest survival was strongly related to vegetative cover at the nest. Changes to rangeland management practices that would double nesting cover from 2.5 to 5 dm would triple the probability of nest survival from 0.17 to 0.52. Grass and forb cover had weak positive effects on daily nest survival whereas shrub cover, proximity to woodlands, and recent rainfall had negative effects. Reproductive performance of prairie chickens is low in managed rangelands in northcentral Kansas and efforts to improve range conditions and reduce predator activity would aid recovery of prairie chicken populations. 6. We used molecular methods to investigate patterns of natal dispersal in prairie chickens. High rates of nest failure limited the number of young that we could sample. Direct detections of natal dispersal were limited because survival of newly hatched chicks to become adults were low and because we were unable to detect dispersal distances outside of our study area. Direct observations of natal movements were limited and were inadequate to make conclusions about the potential impacts of wind energy development on natal dispersal. Spatial correlograms of genetic distance among males at leks were a more sensitive measure of population structure, and indicated a weak effect of wind energy development on the spatial genetic structure of prairie chickens. 7. We tested the effects of wind power development on female survival with time-to-event models, and on residual body mass of males with analyses of covariance. Distance to turbine and the interaction of distance and treatment period had no effect on female survival. Contrary to predictions of negative impacts of wind power development, the probability of female was lowest during the preconstruction period (0.274) and increased significantly during the postconstruction period (0.543). Inspection of hazard functions indicated that the difference in annual survival could be attributed to a higher risk of mortality during the lekking season in the preconstruction period. We suggest that wind power development may have improved ecological conditions for prairie chickens by disrupting the foraging behavior of diurnal raptors that kill prairie chickens at lek sites. In support of this idea, raptor kills tended to be farther from turbines during the postconstruction period whereas mammalian kills were closer. Analyses of the major causes of mortality did not support our hypothesis because the odds of raptor predation were greater after development was completed. Most mortality losses of radio-marked females were due to predation, and losses to collision mortality or harvest were rare events. Low rates of natural mortality during fall and winter imply that harvest is likely to be additive mortality in prairie chickens. Wind energy development reduced the residual body mass of male Greater Prairie-Chickens at lek sites near turbines. Low values of residual body mass could have a negative impact on individual survival or fecundity rates, or may be related to predation risk and flight performance of males displaying at open lek sites. 8. We tested for impacts of wind power development on population numbers of prairie chickens with monitoring of male numbers at leks, and with genetic measures of population structure. Lek counts indicated that wind power development did not affect the population size of prairie chickens. Peak counts of males at leks were recorded the first year after construction was completed and the highest rates of population change were observed during the interval when the wind power facility was constructed. Population numbers of prairie chickens near and distant from turbines appeared to covary in parallel, probably because bird numbers were linked by dispersal movements. Estimates of population viability based on genetic diversity, effective population size and rates of population exchange did not show annual changes and were unaffected by wind development during our study. Estimates of relatedness among males at the same and different leks suggested that wind power development has either reduced dispersal rates or changed settlement patterns, leading to higher rates of relatedness among males displaying at the same lek site. 9. Greater Prairie-Chickens were not strongly affected by wind power development in Kansas. Negative impacts of wind power development included a trend for reductions in lek persistence near turbines, behavioral avoidance of turbines by females during their breeding season movements, and changes in the genetic structure of males at leks that were consistent with reduced dispersal or recruitment rates. We found no impacts of wind power development on nest site selection, female reproductive effort or nesting success, or population numbers. Positive impacts of wind power development included an increase in female survival rates. We hypothesized that the unexpected increase in female survival was related to changes in trophic interactions and disruption of the foraging behavior of raptors that kill prairie chickens at lek site. 10. Research funding for this project included a grant from the 20% Wind by 2030 Program of the Department of Energy (this final report), and grants from the Kansas Department of Wildlife, Parks and Tourism, the National Fish and Wildlife Federation, and initial funding from the National Wind Coordinating Collaborative. Research products from data collected during the preconstruction period have included five peer-reviewed research articles and two PhD dissertations at Kansas State University. Additional manuscripts are in review for possible publication in 2013-2014.

17 WIND ENERGY↗

DOE OSTI2024

DECOVALEX-2023: Task C Final Report

The Full-scale Emplacement (FE) heater experiment at the Mont Terri Underground Rock Laboratory (URL) was designed and conducted by Nagra to replicate an emplacement tunnel of Nagra’s reference repository design at 1:1 scale. Alongside testing the technical feasibility of constructing disposal tunnels, emplacing waste containers in the tunnels and then backfilling them, the main goals of the FE experiment are (1) to obtain a better understanding of the coupled effects of induced thermo-hydro-mechanical (THM) processes that may occur and (2) to validate existing coupled THM models (Müller et al., 2017). A key aspect of ensuring safety for repositories located in low-permeability rock involves minimizing any damage to the rock itself, thereby preserving its integrity and promoting a stable environment Amongst a number of processes that could damage the rock is the increase in pore pressure due to thermal loading caused by heat emitted from the waste. To reduce the potential damage of the rock, it is important to analyse the evolution of heat over time due to the heat load of the containers and assess possible consequences by coupled THM models. The aim of Task C of DECOVALEX-2023 was to build 3D numerical models of the FE experiment, focussing in particular on the heating induced pore pressure change in the Opalinus Clay. Data from a large number of sensors were available from the FE experiment for model comparison. These sensors measured temperature and relative humidity in the bentonite around the heaters, and temperature, pressure and displacement/strain in the surrounding Opalinus clay. Data were available from the start of excavation (April 2012) up to August 2020 for most sensors (more than 5 years from the start of heating in December 2014). To fulfil the overall aim of the task, the work was broken down into a number of steps, starting with simpler models to build confidence in each team’s approach and then moving to more complex models that better represent the FE experiment. Step 0 consisted of 2D benchmark models, gradually increasing the number of processes that are represented from thermal (T) only models in Step 0a, to coupled thermal hydraulic (TH) models in Step 0b with a representation of changing porosity, to coupled thermo-hydro-mechanical (THM) models in Step 0c, where porosity changes are calculated by the mechanical model. A detailed specification of processes, parameters, initial and boundary conditions was provided for this step, with the ambition that all teams would work towards close agreement in their model results, thus building confidence in the model implementations. vi It was not straightforward to achieve agreement between the teams, so additional steps (Step 0b2, 0b3, 0c2, 0c3) were added along with derivation of some analytical solutions against which the models could be compared. The reasons for the differences between teams were investigated and found to be caused primarily by different conceptual model assumptions (including temperature dependence of the thermal expansion of water), different model formulations (including porosity evolution) and differences in modelled domain sizes, boundary conditions and grid discretisation. This demonstrates that comparisons between multiple modelling teams and/or comparison with analytical results and experimental data are highly beneficial in providing an indication of uncertainty in model predictions. At the conclusion of Step 0, almost all teams had achieved a close agreement in model results and those that had not achieved an agreement knew the reason for this. Step 1 moved from 2D models to 3D models of the FE experiment without adding technical features like shotcrete or EDZ, and only considering the heating phase. Initially the 3D model was tightly specified to continue to build confidence in the model implementations (Step 1a). The results of Step 1a were compared to the data from the FE-experiment without the teams seeing the data. The teams were then provided with a sub-set of the data from the FE-experiment and invited to consider how best to use the large dataset for model comparison (Step 1b). Teams were then asked to use the data provided to calibrate their models, only changing material property values rather than adding features or processes to their models (Step 1c). In Step 1, teams were asked to only model the heating phase of the experiment, so pressure in the Opalinus Clay was reported as change in pressure since the initial conditions were specified rather than modelled. The change from 2D to 3D models was accompanied by an increase in the dispersion of results between the teams. Some of this was resolved during the task, but some remained and is potentially due to model discretisation. Calibration of parameters was useful in improving the fit of the models to the data but the remaining differences indicated that the models were missing features or processes. In Step 2, the teams were asked to update their models with additional features and processes as well as calibrating parameters to try and improve the fit of the models to the data. Teams were encouraged to represent ventilation of the open FE tunnel prior to backfilling with heaters and bentonite and in Step 2, the absolute pressure in the Opalinus Clay was compared between the teams. Teams took different approaches, but there was consideration of adding shotcrete and an EDZ into the model, representing stress change during excavation and different approaches to modelling ventilation of the FE tunnel. Overall, the documented results showed a very good agreement for temperature. The results for porewater pressure evolution showed a significant improvement for most teams compared to Step 1c with a good agreement to the measurements for several teams whereas some teams overpredicted the pressure increase and others overpredicted the drainage effect especially for the sensors close to the heater. Step 3 was an opportunity for teams to use the models developed in Step 1 and Step 2 to make predictions about the temperature and pressure changes that will be expected at the FE experiment over the next few years in light of the planned changes in thermal output of the heaters.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2014

Enhanced magnetoresistance induced by oxygen deficiency in La{sub 0.4}Ca{sub 0.6}MnO{sub 3-δ} oxides

We report electrical features and magnetoresistance behavior of the oxygen deficient La{sub 0.4}Ca{sub 0.6}MnO{sub 3-δ} perovskites (δ = 0, 0.15, and 0.2). These samples will be referred to as S0, S15, and S20, respectively. The dependence of electrical transport on temperature and magnetic field is systematically investigated between 2 K and 400 K in magnetic field ranging up to 5 T. The parent compound shows a stable charge ordering/antiferromagnetic state with a semiconductor-like behavior in all considered temperature range. The variable range hopping and thermally activated hopping models are found to fit well with the electrical resistivity data at low and high temperatures, respectively. Oxygen deficiency tends to weaken the charge ordering and induce ferromagnetism and metallicity at low temperature. Metal insulator transition appears at higher fields for lower oxygen deficit (S15 sample) and without field for the S20 sample. The resistivity data for S15 sample are discussed in the framework of the variable-range hopping model. Abnormal transport properties were observed in the S20 sample, characterized by the double metal-insulator transitions and low minimum behavior. These results are discussed in terms of phenomenological percolation model, based on the phase segregation of ferromagnetic metallic clusters and paramagnetic insulating regions. While the parent compound shows no magnetoresistance, a large magnetoresistance is observed in the deficient samples at low temperature reaching 90% and 75% at 2 T for S15 and S20 samples, respectively. Noticeably, these values reached 98% and 91% at 5 T. The appearance of colossal magnetoresistance is attributed to the spin dependent hopping between spin clusters and/or ferromagnetic domains.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

First observation of RMP ELM mitigation on MAST Upgrade

Abstract The first experimental attempts at controlling edge localised modes (ELMs) via the application of resonant magnetic perturbations on the MAST Upgrade tokamak are reported. Using the linear MHD model MARS-F, the phase shift between the upper and lower coil rows ΔΦ was optimised for toroidal mode number n = 1 and n = 2 fields, to provide forward guidance to experiments. In low β N discharges, the application of n = 1 3D fields caused the ELM frequency f E L M to increase by over a factor 20 relative to the reference, and also induced a locked mode, which did not cause a plasma termination nor an H-L back transition. However when β N was raised, this induced locked mode caused plasma termination which precluded mitigation access. Initially, applying a numerically optimised n = 2 field had no effect. However applying a rigid toroidal shift to this field caused a locked mode disruption, demonstrating the presence of a substantial n = 2 error field. Coil current ramps were conducted with ΔΦ set at 6 different values, resulting in either locked mode disruptions or no effect, but mitigation with n = 2 fields was not established.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Chromatic effects on the PSF and shear measurement for the Roman Space Telescope High-Latitude Wide Area Survey

Weak gravitational lensing (WL) is a key cosmological probe that requires precise measurement of galaxy images to infer shape distortions, or shear, and constrain cosmology. Accurate estimation of the point spread function (PSF) is crucial for shear measurement, but the wavelength dependence of the PSF introduces chromatic biases that can systematically impact shear inference. We focus on biases arising from spectral energy distribution (SED) differences between stars, used for PSF modelling, and galaxies, used for shear measurement. We investigate these effects in Roman’s four design reference mission WL bands (Y106, J129, H158, F184) and wide filter (W146). Using Roman-like image simulations, we quantify the induced shear biases and compare them to requirements on those biases. Multiplicative biases over all galaxies hover around ~0.2 per cent in the WL bands and 2 per cent in the wide filter, exceeding the mission requirement of |m| < 0.032 per cent and relaxed requirement of |m| < 0.1 per cent⁠. In individual redshift bins, biases can reach 0.4–0.9 per cent for the WL bands and 3–6 per cent for the wide filter. Additive biases remain acceptable in the WL bands but exceed systematic limits in the wide filter. We develop and test PSF-level corrections, showing that a first-order correction reduces biases within survey requirements for the WL bands; however, higher-order terms are necessary for the wide filter. Our results highlight the necessity of chromatic corrections for precision WL with Roman and provide a framework for mitigating these biases. Finally, we compare analytical colour-based corrections to self-organizing maps and find that both methods effectively reduce biases.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Modeled Retrofit Package Performance for Schools

This report details modeled energy performance and savings from retrofit packages in prototypical school buildings in climate zones throughout the U.S. The information herein serves as a reference for elementary and secondary schools interested in implementing retrofit packages in their facilities for energy savings as well as health and safety benefits. School models developed for simulating package performance differentiated between rural and urban environments. Simulations were run for 10 distinct climate zones covering a range of climate conditions throughout the U.S. Results include savings estimates for electricity, natural gas, CO 2 emissions, and annual utility costs for nine different retrofit packages that combine energy conservation measures, including HVAC controls and equipment upgrades, lighting efficiency upgrades, and electrification technologies such as heat pumps for space conditioning and domestic hot water. Nine additional retrofit packages were also developed for elementary schools and modeled in two climate zones. Appendix B describes the additional retrofit packages and presents savings estimates.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2026

Center for Integrated Simulation of Fusion Relevant RF Actuators

This project was part of the “Center for Integrated Simulation of Fusion Relevant RF Actuators” SciDAC-4 project, led by Dr. Paul Bonoli (MIT). Rather than use an acronym (CISFRRFA), the project will be referred to in this document as the “RF-SciDAC4”. The larger SciDAC-4 project goals were to: 1. Develop an integrated simulation of the antenna + sheath + scrape-off-layer + core plasma system which fully utilizes leadership class computing resources to move towards a quantitative predictive capability for the response to RF power. 2. Work closely with the SciDAC-4 Whole Device Modeling (WDM) community to make both our new code development efforts, as well as the established hierarchy of RF tools, available within their environment, and to utilize WDM technologies to implement the couplings below. 3. Validate this predictive capability on appropriately diagnosed experiments including dedicated RF test stands, linear devices, and existing tokamaks. 4. Use these tools to inform design of robust, impurity-mitigating RF heating and current drive sources for future fusion devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Core Model Proposal 401: Ukraine as an independent region in GCAM

The goal of this core model proposal (CMP) is to break out Ukraine from the Europe_Eastern region. This work aims to establish Ukraine as an independent region in the GCAM core (region 14) while moving Belarus and Moldova to region 15 (Europe_Non_EU). We have: 1) Updated several mappings to recode region 14 (formerly Europe_Eastern) as Ukraine and moved Belarus and Moldova to region 15 (Europe_Non_EU); 2) Updated several assumptions in the raw data files which provide information by region to reframe Ukraine as the 14th region, including coefficients, base year values, share weight interpolation values and rules, pipeline networks for gas trade, elasticities, shares, etc. 3) Changed documentation and in-code comments at several places referring to fixed 32 regions in GCAM to indicate that GCAM can have any number of regions; 4) Updated code base in gcamdata to dynamically process data for Ukraine given special cases.

Global Change Analysis Model (GCAM)↗

DOE OSTI2014

Reference Model 5 Cost Breakdown (RM5: Oscillating Surge Flap)

Contains the Reference Model 5 (RM5) spreadsheets with the cost breakdown structure (CBS) for the levelized cost of energy (LCOE) calculations for a single RM5 device and multiple unit arrays. These spreadsheets are contained within an XLSX file and a spreadsheet editor such as Microsoft Excel is needed to open the file. This data was generated upon completion of the project on September 30, 2014. The Reference Model Project (RMP), sponsored by the U.S. Department of Energy (DOE), was a partnered effort to develop open-source MHK point designs as reference models (RMs) to benchmark MHK technology performance and costs, and an open-source methodology for design and analysis of MHK technologies, including models for estimating their capital costs, operational costs, and levelized costs of energy. The point designs also served as open-source test articles for university researchers and commercial technology developers. The RMP project team, led by Sandia National Laboratories (SNL), included a partnership between DOE, three national laboratories, including the National Renewable Energy Laboratory (NREL), Pacific Northwest National Laboratory (PNNL), and Oak Ridge National Laboratory (ORNL), the Applied Research Laboratory of Penn State University, and Re Vision Consulting. Reference Model 5 (RM5) is a type of floating, oscillating surge wave energy converter (OSWEC) that utilizes the surge motion of waves to generate electrical power. The reference wave energy resource for RM5 was measurement data from a National Data Buoy Center (NDBC) buoy near Eureka, in Humboldt County, California. The flap was designed to rotate against the supporting frame to convert wave energy into electrical power from the relative rotational motion induced by incoming waves. The RM5 design is rated at 360 kilowatts (kW), uses a flap of 25 m in width and 19 m in height (16 m in draft), and the distance from the top of the water surface piercing flap to the mean water surface (freeboard) is 1.5 m. The flap is connected to a shaft with a 3-m diameter that rotates against the supporting frame. The supporting frame is assumed to have an outer diameter of 2 m, and the total length of the device structure is 45 m. The RM5 OSWEC was designed for deep-water deployment, at depths between 50 m and 100 m, and was tension-moored to the seabed.

16 TIDAL AND WAVE POWER↗

DOE OSTI2021

New reference materials for trace-levels of actinide elements in plutonium

In this report two plutonium oxides were prepared as unique reference materials for measurement of actinide elements present as trace constituents. Each reference material unit is approximately 200 mg of PuO 2 powder in a quartz glass bottle. Characterized attributes of the oxides included mass fractions of plutonium, americium, neptunium, and uranium. Isotope-amount ratios were also determined for plutonium and uranium, but neptunium and americium were observed to be monoisotopic 237 Np and 241 Am. Measurements for characterization and verification of the attributes show that plutonium and trace actinides are homogeneous with the exception of limited heterogeneity for uranium, primarily observed for the 238 U isotope. Model purification ages calculated from measured americium and uranium attribute values are consistent with material histories and indicate that these impurities are predominantly due to the decay of plutonium isotopes.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2022

HȮ 2 + HȮ 2 : High level theory and the role of singlet channels

At low temperatures and high pressures, the HȮ 2 + HȮ 2 reaction is an important reaction in combustion. There are significant unresolved discrepancies between prior theoretical and experimental studies of this reaction. It has generally been presumed to occur as an abstraction on the triplet surface to produce H 2 O 2 + 3 O 2 . Here, we employ a combination of high-level electronic structure theory (the ANL0 composite method or multi-reference methods as appropriate), sophisticated transition state theory (vibrationally adiabatic torsions, variational, and variable reaction coordinate), and master equation analyses to predict the thermal kinetics on the H 2 O 4 surface. Notably, this analysis suggests a significant branching to HȮ 3 + ȮH near 1000 K via reaction on the singlet surface. This channel does not appear to have been considered in prior combustion models. HȮ 3 itself is a metastable complex (bound by only 3 kcal mol -1 ) that rapidly dissociates to ȮH + 3 O 2 . Thus, the net reaction for this channel, HȮ 2 + HȮ 2 → ȮH + ȮH + O 2 , converts two low reactivity HȮ 2 radicals into two highly reactive ȮH radicals. The ramifications of these newly derived rate expressions are highlighted through kinetic modeling studies of H 2 , CH 3 OH, $\textit{n}$-heptane, and isooctane oxidation; all at the high pressures of relevance to combustion devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

On the Cauchy problem for Boltzmann equation modeling a polyatomic gas

In the present article, we consider the Boltzmann equation that models a polyatomic gas by introducing one additional continuous variable, referred to as microscopic internal energy. We establish existence and uniqueness theory in the space homogeneous setting for the full non-linear case, under an extended Grad-type assumption on transition probability rates, which comprises hard potentials for both the relative speed and internal energy with the rate in the interval 0,2, multiplied by an integrable angular part and integrable partition functions. The Cauchy problem is resolved by means of an abstract ordinary differential equation (ODE) theory in Banach spaces for the initial data with finite and strictly positive gas mass and energy, finite momentum, and additionally finite K* polynomial moment, with K* depending on the rate of the transition probability and the structure of a polyatomic molecule or its internal degrees of freedom. Moreover, we prove that polynomially and exponentially weighted Banach space norms associated with the solution are both generated and propagated uniformly in time.

Physics↗