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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Stellar s-process neutron capture cross sections on 78,80,84,86 Kr determined via activation, atom trap trace analysis and decay counting

We present a detailed account of neutron capture experiments of astrophysical relevance on 78,80,84,86 Kr (n, γ) reactions at the border between weak and main s process. The experiments were performed with quasi-Maxwellian neutrons from the Liquid-Lithium Target (LiLiT) and the mA-proton beam at 1.93 MeV (2-3 kW) of the Soreq Applied Research Accelerator Facility (SARAF). The setup yields high-intensity approximate to 40 keV quasi-Maxwellian neutrons (3-5 x10 10 n/s) closely reproducing the conditions of s-process stellar nucleosynthesis. A sample of 100 mg of atmospheric, pre-nuclear-age Kr gas contained in a Ti spherical shell was activated in the LiLiT neutron field. The abundances of long-lived Kr isotopes ( 81,85g Kr) were measured by atom counting via atom trap trace analysis (ATTA) at Argonne National Laboratory and low-level counting (LLC) at University of Bern. This work is the first measurement of a nuclear cross section using atom counting via ATTA. The activities of short-lived Kr isotopes ( 79,85m,87 Kr) were measured by gamma-decay counting with a high-purity germanium detector. Maxwellian-averaged cross sections for s-process thermal energies are extracted. By comparison to reference values, our nucleosynthesis network calculations show that the experimental cross sections have a strong impact on calculated abundances of krypton and neighboring nuclides, in some cases improving agreement between theory and observations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Comparison of heavy-ion transport simulations: Collision integral in a box

Simulations by transport codes are indispensable to extract valuable physical information from heavy-ion collisions. In order to understand the origins of discrepancies among different widely used transport codes, we compare 15 such codes under controlled conditions of a system confined to a box with periodic boundary, initialized with Fermi-Dirac distributions at saturation density and temperatures of either 0 or 5 MeV. In such calculations, one is able to check separately the different ingredients of a transport code. In this second publication of the code evaluation project, we only consider the two-body collision term; i.e., we perform cascade calculations. When the Pauli blocking is artificially suppressed, the collision rates are found to be consistent for most codes (to within 1 % or better) with analytical results, or completely controlled results of a basic cascade code. In orderto reach that goal, it was necessary to eliminate correlations within the same pair of colliding particles that can be present depending on the adopted collision prescription. In calculations with active Pauli blocking, the blocking probability was found to deviate from the expected reference values. The reason is found in substantial phase-space fluctuations and smearing tied to numerical algorithms and model assumptions in the representation of phase space. This results in the reduction of the blocking probability in most transport codes, so that the simulated system gradually evolves away from the Fermi-Dirac toward a Boltzmann distribution. Since the numerical fluctuations are weaker in the Boltzmann-Uehling-Uhlenbeck codes, the Fermi-Dirac statistics is maintained there for a longer time than in the quantum molecular dynamics codes. As a result of this investigation, we are able to make judgements about the most effective strategies in transport simulations for determining the collision probabilities and the Pauli blocking. Finally, investigation in a similar vein of other ingredients in transport calculations, like the mean-field propagation or the production of nucleon resonances and mesons, will be discussed in the future publications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Deconfinement, gradient, and cooling scales for pure SU(2) lattice gauge theory

Here we investigate the approach of pure SU(2) lattice gauge theory with the Wilson action to its continuum limit using the deconfining phase transition, the gradient flow and the cooling flow to set the scale. For the gradient and cooling scales we explore three different energy observables and two distinct reference values for the flow time. When the aim is to follow scaling towards the continuum limit, one gains at least a factor of 100 in computational efficiency by relying on the gradient instead of the deconfinement scale. Using cooling instead of the gradient flow one gains another factor of at least 34 in computational efficiency on the gradient flow part without any significant loss in the accuracy of scale setting. Concerning our observables, the message is to keep it simple. The Wilson action itself performs as well as or even better than the other two observables explored. Two distinct fitting forms for scaling are compared, of which one connects to asymptotic scaling. Differences of the obtained estimates show that systematic errors of length ratios, though only about 1%, can be considerably larger than statistical errors of the same observables.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

All-electron density functional calculations for electron and nuclear spin interactions in molecules and solids

The interaction between electronic and nuclear spins in the presence of external magnetic fields can be described by a spin Hamiltonian, with parameters obtained from first principles, electronic structure calculations. We describe an approach to compute these parameters, applicable to both molecules and solids, which is based on density functional theory (DFT) and real-space, all-electron calculations using finite elements (FE). We report results for hyperfine tensors, zero field splitting tensors (spin-spin component), and nuclear quadrupole tensors of a series of molecules and of the nitrogen-vacancy center in diamond. We compare our results with calculations using Gaussian orbitals and plane-wave basis sets, and we discuss their numerical accuracy. Furthermore, we show that calculations based on FE can be systematically converged with respect to the basis set, thus allowing one to establish reference values for the spin Hamiltonian parameters, at a given level of DFT.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

DSP Implementation of a Novel Recurrent Neural Network Controller into a TI Solar Microinverter

Single-phase grid-tied inverters are widely used to integrate small-scale renewable energy sources and distributed generations to the utility grid. A novel Recurrent Neural Network (RNN) current controller is introduced to solve the resonant problem associated with LCL based inverters. The well-trained RNN controller was validated through a Texas Instruments (TI) LCL filter based solar microinverter kit that contains a C2000 TI microcontroller. The inverter closed current loop test without the grid connection was conducted in a laboratory setup to verify the RNN contoller functionality. The laboratory waveform results verified that the RNN current controller produced the strong tracking of the measured inverter AC current to its reference value even at a low sampling frequency of 5KHz. The proposed RNN current controller also proved to perform better than the built-in three-pole-three-zero (3P3Z) current controller provided by TI and produce lower values of Total Harmonic Distortion (THD).

digital signal processor↗
DOE OSTI2022

Multi-Segment Decentralized Control Strategies for Renewables-Rich Microgrids in Extreme Conditions

Microgrids provide a promising approach to accommodating various distributed energy resources (DERs), while requiring significant communication infrastructures that may be affected by extreme conditions such as natural disasters and cyber-attacks. In this paper, a fully decentralized control strategy without the need for communication is proposed for islanded microgrids with high renewables penetration. First, special multi-segment power/frequency characteristic curves are designed, so that different DERs can be automatically coordinated in a prioritized manner such as renewables first to maintain power balance while DER frequencies are regulated at their reference values. Second, piecewise linear served load versus frequency models are designed to prioritize loads according to their significance, so that only noncritical loads will be curtailed as needed while critical loads are supplied without any interruptions during power deficiency. The proposed strategy can effectively deal with various normal and extreme system conditions including 100% renewables penetration, loads and renewables variations, power deficiencies requiring load curtailments, disconnection of existing DERs, connection of new DERs as well as network sectionalization and reconfiguration. As a result, the proposed control strategy is validated in the real-time digital simulator (RTDS) model of the IIT Campus Microgrid to demonstrate its effectiveness in enhancing the resiliency of renewables-rich microgrids in extreme conditions.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2016

Using In Vitro High‐Throughput Screening Data for Predicting Benzo[k]Fluoranthene Human Health Hazards

Today there are more than 80,000 chemicals in commerce and the environment. The potential human health risks are unknown for the vast majority of these chemicals as they lack human health risk assessments, toxicity reference values, and risk screening values. We aim to use computational toxicology and quantitative high‐throughput screening (qHTS) technologies to fill these data gaps, and begin to prioritize these chemicals for additional assessment. In this pilot, we demonstrate how we were able to identify that benzo[k]fluoranthene may induce DNA damage and steatosis using qHTS data and two separate adverse outcome pathways (AOPs). We also demonstrate how bootstrap natural spline‐based meta‐regression can be used to integrate data across multiple assay replicates to generate a concentration–response curve. We used this analysis to calculate an in vitro point of departure of 0.751 μM and risk‐specific in vitro concentrations of 0.29 μM and 0.28 μM for 1:1,000 and 1:10,000 risk, respectively, for DNA damage. Based on the available evidence, and considering that only a single HSD17B4 assay is available, we have low overall confidence in the steatosis hazard identification. This case study suggests that coupling qHTS assays with AOPs and ontologies will facilitate hazard identification. Combining this with quantitative evidence integration methods, such as bootstrap meta‐regression, may allow risk assessors to identify points of departure and risk‐specific internal/ in vitro concentrations. These results are sufficient to prioritize the chemicals; however, in the longer term we will need to estimate external doses for risk screening purposes, such as through margin of exposure methods.

Burgoon, Lyle D.↗
DOE OSTI2016

SU-F-T-139: Meeting the Challenges of Quality Control in the TOPAS Monte Carlo Simulation Toolkit for Proton Therapy

Purpose: Monte Carlo particle transport simulation (MC) codes have become important tools in proton therapy and biology, both for research and practice. TOPAS is an MC toolkit serving users worldwide (213 licensed users at 95 institutions in 21 countries). It provides unprecedented ease in 4D placement of geometry components, beam sources and scoring through its user-friendly and reproducible parameter file interface. Quality control (QC) of stochastic simulation software is inherently difficult, and the versatility of TOPAS introduces additional challenges. But QC is vital as the TOPAS development team implements new features, addresses user feedback and reacts to upgrades of underlying software (i.e. Geant4). Methods: Whenever code is committed to our repository, over 50 separate module tests are automatically triggered via a continuous integration service. They check that the various module options execute successfully and that their results are statistically consistent with previous reference values. Prior to each software release, longer end-to-end tests automatically validate TOPAS against experimental data and a TOPAS benchmark. These include simulating multiple properties of spread-out Bragg peaks, validating nuclear models, and searching for differences in patient simulations. Results: Continuous integration has proven effective in catching regressions at the time they are introduced, particularly when implementing new features that involve refactoring code (e.g. multithreading and ntuple output). Code coverage statistics highlight untested portions of code and guide development of new tests. The various end-to-end tests demonstrate that TOPAS accurately describes the physics of proton therapy within clinical tolerances. Conclusion: The TOPAS QC strategy of frequent short tests and pre-release long tests has led to a more reliable tool. However, the versatility of TOPAS makes it difficult to predict how users might combine different modules, and so QC ultimately remains a partnership between the developer and the user. This work was funded by National Cancer Institute grant R01 CA 140735.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-F-T-158: Experimental Characterization of Field Size Dependence of Dose and Lateral Beam Profiles of Scanning Proton and Carbon Ion Beams for Empirical Model in Air

Purpose: The Gaussian model for the lateral profiles in air is crucial for an accurate treatment planning system. The field size dependence of dose and the lateral beam profiles of scanning proton and carbon ion beams are due mainly to particles undergoing multiple Coulomb scattering in the beam line components and secondary particles produced by nuclear interactions in the target, both of which depend upon the energy and species of the beam. In this work, lateral profile shape parameters were fitted to measurements of field size dependence dose at the center of field size in air. Methods: Previous studies have employed empirical fits to measured profile data to significantly reduce the QA time required for measurements. From this approach to derive the weight and sigma of lateral profiles in air, empirical model formulations were simulated for three selected energies for both proton and carbon beams. Results: The 20%–80% lateral penumbras predicted by the double model for proton and single model for carbon with the error functions agreed with the measurements within 1 mm. The standard deviation between measured and fitted field size dependence of dose for empirical model in air has a maximum accuracy of 0.74% for proton with double Gaussian, and of 0.57% for carbon with single Gaussian. Conclusion: We have demonstrated that the double Gaussian model of lateral beam profiles is significantly better than the single Gaussian model for proton while a single Gaussian model is sufficient for carbon. The empirical equation may be used to double check the separately obtained model that is currently used by the planning system. The empirical model in air for dose of spot scanning proton and carbon ion beams cannot be directly used for irregular shaped patient fields, but can be to provide reference values for clinical use and quality assurance.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

MO-FG-CAMPUS-JeP1-04: Evaluating DECT Vs SECT Range Differences in Proton Therapy Using Clinical Data

Purpose: Range uncertainty from X-ray CT number conversion to stopping power ratio (SPR) is one of the key factors limiting the potential of proton therapy. The large margins required for deep seated tumors degrade the organ sparing achievable with the technology. Of interest is the application of dual energy CT (DECT) to SPR estimation. In this planning study proton range differences between SECT and DECT have been quantified for brain cases. Methods: A last generation dual source DECT scanner was used to acquire SECT (150 kVp with Sn filtration) and DECT (additionally 90 kVp) scans of phantoms and 5 head trauma patients, acting as surrogate cancer patients. Phantom materials were characterized in terms of SPR in a particle beam to obtain reference values. IMPT treatment plans were generated on the basis of SECT and DECT SPR images for hypothetical brain tumors using a short and a long beam path. Range differences between SECT and DECT from plan recalculations were evaluated in beam-eye-view (BEV) by comparing the 80% isodose. Results: For the 18 phantom materials the SECT RMS SPR errors were 2.6% compared to 1.1% for DECT. Group median relative range differences between SECT and DECT plans were −1.0% for the short beam path over the 5 patients investigated in this study. For the long beam path the median difference was −1.4%. These relative range differences corresponded to −0.5 mm and −1.4 mm shifts respectively. Conclusion: This is the first study performing proton therapy treatment planning on DECT patient images. Important range differences of more than 1 mm were observed between SECT and DECT treatment plans, and DECT SPR accuracy was found superior on the basis of phantom measurements. While the patients investigated in this study did not have brain tumors, the findings we observed should apply to cancer patients. Deutsche Forschungsgemeinschaft (MAP); Bundesministerium fur Bildung und Forschung (01IB13001)

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Analysis of the uncertainties in the physical calculations of water-moderated power reactors of the VVER type by the parameters of models of preparing few-group constants

The article covers the uncertainty analysis of the physical calculations of the VVER reactor core for different meshes of the reference values of the feedback parameters (FBP). Various numbers of nodes of the parametric axes of FBPs and different ranges between them are investigated. The uncertainties of the dynamic calculations are analyzed using RTS RCCA ejection as an example within the framework of the model with the boundary conditions at the core inlet and outlet.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Calculation of the Vertical Strata Load of Utility Tunnel Crossing Ground Fissure Zone

A ground fissure is a geological disaster in which the vertical dislocation of strata causes surface rupture. Ground fissures can cause extreme harm to the surface and underground buildings. Ground fissure activity can result in different settlement on the two sides of the strata, which will generate additional stress (pressure) that differs from the stress of the general stratum on underground structures across the ground fissure zone. It is essential to assess the effective stress of strata in the design of underground engineering structures across a ground fissure zone. The Xi’an ground fissure through a utility tunnel was focus of the research, and a physical model and data for oblique crossing of the 45° ground fissure were analyzed. A model of the utility tunnel structure was established, including the surrounding soil load as an active ground fissure environment. This model was used to calculate the vertical formation pressure of the overlying soil on the utility tunnel. A method to calculate the overlying load on the utility tunnel caused by ground fissure activity was proposed and compared with the calculation based on the A. Marston principle. The results showed that the ground fissure load calculation method based on the strata-holding effect can effectively calculate the earth pressure of the surrounding soil layer of the utility tunnel in the cross-ground fissure section. The results of this work provide guidance and reference value for the design of a utility tunnel in an area with the potential for a ground fissure.

Zhang, Dan↗
DOE OSTI2018

New mesh-type phantoms and their dosimetric applications, including emergencies

Committee 2 of the International Commission on Radiological Protection (ICRP) has constructed mesh-type adult reference computational phantoms by converting the voxel-type ICRP Publication 110 adult reference computational phantoms to a high-quality mesh format, and adding those tissues that were below the image resolution of the voxel phantoms and therefore not included in the Publication 110 phantoms. The new mesh phantoms include all the necessary source and target tissues for effective dose calculations, including the 8–40-µm-thick target layers of the alimentary and respiratory tract organs, thereby obviating the need for supplemental organ-specific stylised models (e.g. respiratory airways, alimentary tract organ walls and stem cell layers, lens of the eye, and skin basal layer). To see the impact of the new mesh-type reference phantoms, dose coefficients for some selected external and internal exposures were calculated and compared with the current reference values in ICRP Publications 116 and 133, which were calculated by employing the Publication 110 phantoms and the supplemental stylised models. The new mesh phantoms were also used to calculate dose coefficients for industrial radiography sources near the body, which can be used to estimate the organ doses of the worker who is accidentally exposed by an industrial radiography source; in these calculations, the mesh phantoms were deformed to reflect the size of the worker, and also to evaluate the effect of posture on dose coefficients.

Kim, C.H.↗
DOE OSTI2023

Uncertain of uncertainties? A comparison of uncertainty quantification metrics for chemical data sets

Abstract With the increasingly more important role of machine learning (ML) models in chemical research, the need for putting a level of confidence to the model predictions naturally arises. Several methods for obtaining uncertainty estimates have been proposed in recent years but consensus on the evaluation of these have yet to be established and different studies on uncertainties generally uses different metrics to evaluate them. We compare three of the most popular validation metrics (Spearman’s rank correlation coefficient, the negative log likelihood (NLL) and the miscalibration area) to the error-based calibration introduced by Levi et al. ( Sensors 2022 , 22 , 5540). Importantly, metrics such as the negative log likelihood (NLL) and Spearman’s rank correlation coefficient bear little information in themselves. We therefore introduce reference values obtained through errors simulated directly from the uncertainty distribution. The different metrics target different properties and we show how to interpret them, but we generally find the best overall validation to be done based on the error-based calibration plot introduced by Levi et al. Finally, we illustrate the sensitivity of ranking-based methods (e.g. Spearman’s rank correlation coefficient) towards test set design by using the same toy model ferent test sets and obtaining vastly different metrics (0.05 vs. 0.65).

Rasmussen, Maria H.↗
DOE OSTI2019

Impact of the SSO-ASTRO Margin Guideline on Rates of Re-excision After Lumpectomy for Breast Cancer: A Meta-analysis

Background: One in five patients undergoing initial lumpectomy for invasive breast cancer subsequently undergoes re-excision or mastectomy. A lack of clarity of when to re-excise based on lumpectomy margin width contributes to this high rate of reoperation. We sought to determine the impact of the Society of Surgical Oncology (SSO) and American Society of Radiation Oncologist (ASTRO) margin guideline on reoperation rates after lumpectomy. The guideline recommended omission of routine re-excision in specimens with “no ink on tumor”. Methods: A systematic literature review was performed. For eligible studies, a random-effects model was used for a meta-analysis of lumpectomy re-excision prevalence before and after publication of the SSO-ASTRO margin guideline. Study heterogeneity was measured by the Cochran’s Q test. Results: Five institutional, one population-based, and one national registry study met inclusion requirements. Sample size per study ranged from 237 to 26,102. There was significant interstudy heterogeneity (Q = 19.779; p = 0.003). Pooled re-excision prevalence was 22% (confidence interval [CI] 20–23) before and 14% (CI 12–15) after guideline publication. With the pre-guideline re-excision prevalence used as the reference value, the associated odds ratio for re-excision after the guideline was 0.65 (CI 0.54–0.78; p < 0.0001). Conclusions: The findings of a 35% reduction in the odds of re-excision after the guideline publication and a reduction in re-excision prevalence from 22 to 14% supports the notion that the SSO-ASTRO margin guideline was impactful. These findings are congruent with the projected reductions in re-excision at the time of guideline publication.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2015

Frequency-resolved Raman for transient thermal probing and thermal diffusivity measurement

Steady state Raman has been widely used for temperature probing and thermal conductivity/conductance measurement in combination with temperature coefficient calibration. In this work, a new transient Raman thermal probing technique: frequency-resolved Raman (FR-Raman) is developed for probing the transient thermal response of materials and measuring their thermal diffusivity. The FR-Raman uses an amplitude modulated square-wave laser for simultaneous material heating and Raman excitation. The evolution profile of Raman properties: intensity, Raman wavenumber, and emission, against frequency are measured experimentally and reconstructed theoretically. They are used for fitting to determine the thermal diffusivity of the material under test. A Si cantilever is used to investigate the capacity of this new technique. The cantilever’s thermal diffusivity is determined as 9.57 × 10 -5 m 2 /s, 11.00 × 10 -5 m 2 /s and 9.02 × 10 -5 m 2 /s by fitting the Raman intensity, wavenumber and emission. The deviation from the reference value is largely attributed to thermal stress-induced material deflection and Raman drift, which could be significantly suppressed by using a higher sensitivity Raman spectrometer with lower laser energy. As a result, the FR-Raman provides a novel way for transient thermal characterization of materials with a ?m spatial resolution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Fine-scale ecological and genetic population structure of two whitefish (Coregoninae) species in the vicinity of industrial thermal emissions

Thermal pollution from industrial processes can have negative impacts on the spawning and development of cold-water fish. Point sources of thermal effluent may need to be managed to avoid affecting discrete populations. Correspondingly, we examined fine-scale ecological and genetic population structure of two whitefish species ( Coregonus clupeaformis and Prosopium cylindraceum ) on Lake Huron, Canada, in the immediate vicinity of thermal effluent from nuclear power generation. Niche metrics using δ 13 C and δ 15 N stable isotopes showed high levels of overlap (48.6 to 94.5%) in resource use by adult fish captured in areas affected by thermal effluent compared to nearby reference locations. Isotopic niche size, a metric of resource use diversity, was 1.3- to 2.8-fold higher than reference values in some thermally affected areas, indicative of fish mixing. Microsatellite analyses of genetic population structure (F st , STRUCTURE and DAPC) indicated that fish captured at all locations in the vicinity of the power plant were part of a larger population extending beyond the study area. In concert, ecological and genetic markers do not support the presence of an evolutionarily significant unit in the vicinity of the power plant. Furthermore, future research should focus on the potential impacts of thermal emissions on development and recruitment.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

LiDAR-based aboveground biomass changes data of tropical montane forest in Borneo

Anthropogenic activities are increasingly impacting the carbon storage of tropical montane forests. We employed airborne LiDAR data to estimate the aboveground biomass (AGB) changes at high resolution in a human-modified tropical montane forest in northern Borneo. The data package consists of LiDAR-based AGB changes at 1m resolution in GeoTIFF format, a table of field and estimated AGB changes at plot level and a shape file of the plots’ coordinates. The raster data (GeoTIFF) at 1 m resolution covers two study sites (site 1: 2.67 km x 8 km; site 2: 2 km x 8 km). The GeoTIFF and shape files can be read using any GIS or image processing software. The dataset can be utilized to deepen our understanding of the carbon storage of tropical montane forests, establish reference values for Southeast Asian tropical montane forests, guide forest resource managers on rehabilitation strategies and further research on the impacts of anthropogenic land use activities.

54 ENVIRONMENTAL SCIENCES↗