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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Verification of the AGREE and Serpent for the steady state HTR-10 benchmark problems

This paper provides results from steady state HTR-10 benchmark calculations performed using AGREE and Serpent that are compared to experimental results as well as calculations performed by INET. The purpose of completing this benchmark is to validate AGREE and Serpent for the prediction of HTGR operation so that they may ultimately be used to support licensing and deployment efforts of advanced reactors. The benchmark consists of several problems ranging from control rod worth calculations to k{sub eff} calculations at various temperatures. Overall, AGREE and Serpent show good agreement with the reference solutions and are effectively able to predict HTGR operation for a variety of steady state cases. The largest difference from the reference was for the initial core single rod worth, which is possibly due to the larger core helium cavity causing inaccuracies in the diffusion calculation whereas the control rod worth determined by Serpent and AGREE is much closer to the reference result for the full core loading. Moreover, in every benchmark problem, increasing the number of energy groups in the cross sections results in improved agreement of the AGREE result with the reference, although it also causes an increase in computation time. For problems with experimental data available, the accuracy of results generated by Serpent and AGREE is comparable to results obtained by other benchmark participants. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Development and Performance Simulations of the MPACT-AGREE Code Coupling Interface for MAGNOX Reactors

MPACT is a whole-core 3D neutron transport code jointly developed by Oak Ridge National Laboratory and the University of Michigan to perform high-fidelity light water reactor (LWR) analysis. Its capability was recently extended for gas-cooled reactor analysis by coupling to the thermo-fluids code AGREE for thermal feedback. This paper presents the MPACT-AGREE code coupling for the simulation of MAGNOX-type gas-cooled graphite-moderated reactors. A coupling interface has been developed, along with methods to accurately simulate MAGNOX type reactors. The coupling mechanics were tested using two problems derived from the Calder Hall reactor. Simulations of these models demonstrated that the codes have been successfully coupled and can provide reasonable results in a tractable simulation time.

Gentry, Cole↗
DOE OSTI2026

When Do Band Gap Calculations Agree with Experiments in Monolayer-Protected Cu 14 and Au 20 Atomically Precise Nanoclusters? A (TD)-DFT Comparison of HOMO–LUMO, Fundamental, Optical, and Electrochemical Energy Gaps

In view of the tremendous progress in atomically precise metal nanoclusters where electrochemical and optical energetics are routinely supported by computations to establish structure−function correlations, we explore the relationship between different protocols for measuring and computing band gaps of two distinct organic ligand-protected nanoclusters: [Cu 14 H 10 (MBN) 3 (PPh 3 ) 8 ] + and Au 20 (TBBT) 16 . Through UV/visible spectroscopy and differential pulse voltammetry, we measure optical and electrochemical band gaps in those systems. We then compare these experimentally determined gaps to HOMO−LUMO gaps, fundamental gaps, vertical excitation energies, and E o ox − E o red potentials computed using different density functional theory (DFT) or time-dependent DFT (TDDFT) methods. Specifically, in both copper and gold nanoclusters, we test the effect of truncating inert ligands from the model and compare density functionals with varying degrees of Hartree−Fock (HF) exchange from 0 to 50%, range-separated hybrids with a varying long-range tuning parameter, different correlation functionals, basis sets, and (equilibrium and nonequilibrium) continuum solvation models. Despite having different frontier orbital characters (the copper nanocluster has a metal-to-ligand charge transfer character while the gold nanocluster has metal-centered frontier orbitals), both nanoclusters display a similar sensitivity of the HOMO−LUMO gap to the HF exchange that is partially mitigated when computing the fundamental, optical, and electrochemical gaps. Other factors, such as the nature of the correlation functional, basis set, and geometry relaxation, have a considerably smaller effect on computed band gaps in these systems. Overall, this work provides guidelines for factors of varied importance for correlating computed and experimental band gap values.

Chemical calculations↗
DOE OSTI2020

Molecular structure determination: Equilibrium structure of pyrimidine (m-C 4 H 4 N 2 ) from rotational spectroscopy (reSE) and high-level ab initio calculation (re) agree within the uncertainty of experimental measurement

The pure rotational spectrum of pyrimidine (m-C 4 H 4 N 2 ), the meta-substituted dinitrogen analog of benzene, has been studied in the millimeter-wave region from 235 GHz to 360 GHz. The rotational spectrum of the ground vibrational state has been assigned and fit to yield accurate rotational and distortion constants. Over 1700 distinct transitions were identified for the normal isotopologue in its ground vibrational state and least-squares fit to a partial sextic S-reduced Hamiltonian. Transitions for all four singly substituted 13 C and 15 N isotopologues were observed at natural abundance and were likewise fit. Deuterium-enriched samples of pyrimidine were synthesized, giving access to all eleven possible deuterium-substituted isotopologues, ten of which were previously unreported. Experimental values of rotational constants and computed values of vibration–rotation interaction constants and electron-mass corrections were used to determine semi-experimental equilibrium structures (r e SE ) of pyrimidine. The r e SE structure obtained using coupled-cluster with single, double, and perturbative triple excitations [CCSD(T)] corrections shows exceptional agreement with the re structure computed at the CCSD(T)/cc-pCV5Z level (≤0.0002 Å in bond distance and ≤0.03° in bond angle). Of the various computational methods examined, CCSD(T)/cc-pCV5Z is the only method for which the computed value of each geometric parameter lies within the statistical experimental uncertainty (2σ) of the corresponding semi-experimental coordinate. The exceptionally high accuracy and precision of the structure determination is a consequence of the large number of isotopologues measured, the precision and extent of the experimental frequency measurements, and the sophisticated theoretical treatment of the effects of vibration–rotation coupling and electron mass. Taken together, these demanding experimental and computational studies establish the capabilities of modern structural analysis for a prototypical monocyclic aromatic compound.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Star Formation Histories from Spectral Energy Distributions and Color–magnitude Diagrams Agree: Evidence for Synchronized Star Formation in Local Volume Dwarf Galaxies over the Past 3 Gyr

Star formation histories (SFHs) reveal physical processes that influence how galaxies form their stellar mass. We compare the SFHs of a sample of 36 nearby (D ≲ 4 Mpc) dwarf galaxies from the ACS Nearby Galaxy Survey Treasury (ANGST), inferred from the color–magnitude diagrams (CMDs) of individually resolved stars in these galaxies, with those reconstructed by broadband spectral energy distribution (SED) fitting using the dense basis SED-fitting code. When comparing individual SFHs, we introduce metrics for evaluating SFH reconstruction techniques. For both the SED and CMD methods, the median normalized SFH of galaxies in the sample shows a period of quiescence at lookback times of 3–6 Gyr followed by rejuvenated star formation over the past 3 Gyr that remains active until the present day. To determine if these represent special epochs of star formation in the D <4 Mpc portion of the Local Volume, we break this ANGST dwarf galaxy sample into subsets based on specific star formation rate and spatial location. Modulo offsets between the methods of about 1 Gyr, all subsets show significant decreases and increases in their median normalized SFHs at the same epochs, and the majority of the individual galaxy SFHs are consistent with these trends. These results motivate further study of potential synchronized star formation quiescence and rejuvenation in the Local Volume as well as development of a hybrid method of SFH reconstruction that combines CMDs and SEDs, which have complementary systematics.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2001

Interannual Variability of Tropical Precipitation: How Well Do Climate Models Agree With Current Satellite Estimates?

Since the beginning of the World Climate Research Program's Global Precipitation Climatology Project (GPCP) satellite remote sensing of precipitation has made dramatic improvements, particularly for tropical regions. Data from microwave and infrared sensors now form the most critical input to precipitation data sets and can be calibrated with surface gauges to so that the strengths of each data source can be maximized in some statistically optimal sense. Recent availability of the TRMM (Tropical Rainfall Measuring Mission) has further aided in narrowing uncertainties in rainfall over die tropics and subtropics. Although climate modeling efforts have long relied on space-based precipitation estimates for validation, we now are in a position to make more quantitative assessments of model performance, particularly in tropical regions. An integration of the CCM3 using observed SSTs as a lower boundary condition is used to examine how well this model responds to ENSO forcing in terms of anomalous precipitation. An integration of the NCEP spectral model used for the Reanalysis-H effort is also examined. This integration is run with specified SSTs, but with no data assimilation. Our analysis focuses on two aspects of inter-annual variability. First are the spatial anomalies that are indicative of dislocations in Hadley and Walker circulations. Second, we consider the ability of models to replicate observed increases in oceanic precipitation that are noted in satellite observations for large ENSO events. Finally, we consider a slab ocean version of the CCM3 model with prescribed ocean beat transports that mimic upwelling anomalies, but which still allows the surface energy balance to be predicted. This less restrictive experiment is used to understand why model experiments with specified SSTs seem to have noticeably less interannual variability in precipitation than do the satellite observations.

Robertson, Franklin R.↗
DOE OSTI2022

Multi-scale and multi-physics analysis, design optimization, and experimental validation of heat exchangers utilizing high performance, non-round tubes

Air-to-refrigerant heat exchangers (HXs) are fundamental components in HVAC&R systems, and considerable research has been dedicated designing continually smaller, lighter, and more efficient HX designs. In recent years, researchers have leveraged advancements in Computational Fluid Dynamics (CFD), Finite Element Analysis (FEA), and optimization algorithms to consider primary tube shape and topology optimization to design highly compact, high performance HXs for a multitude of applications. In this research, we present a computationally efficient, comprehensive, multi-scale, and multi-physics analysis and optimization method for air-to-refrigerant HXs featuring automated CFD and FEA simulations and approximation-assisted optimization. This methodology was utilized to design HXs with shape-optimized, non-round tubes which outperform current state-of-the-art tube-fin HXs without compromising structural integrity. The optimal HXs were shown to deliver similar thermal performance to the baseline HXs while also achieving more than 20% reductions in airside pressure drop and core envelope volume and more than 30% reduction in internal volume. Comprehensive experimental validation of the optimization methodology was conducted through the testing of two prototypes in a standardized wind tunnel facility under multiple operating conditions. For prototype #1 under dry evaporator conditions, the predicted heat load agreed within ± 10% of measured values and the predicted airside pressure drop agreed within ± 30%, while for dehumidifying conditions, the predicted sensible and latent heat loads agreed within ± 10% and ± 20% of the measured values, respectively. For prototype #2, the predicted condenser heat load agreed within ± 3.0% of measured values, and the predicted airside pressure drop agreed within ± 27%. The acceptable agreement between simulation and experimental results for the present application highlights the flexibility of the novel optimization methodology to design next generation HXs with improved performance and reduced volume, weight, and environmental impact.

42 ENGINEERING↗
DOE OSTI2020

Application of radiochromic gel dosimetry to commissioning of a megavoltage research linear accelerator for small–field animal irradiation studies

To develop and implement an efficient and accurate commissioning procedure for small-field static beam animal irradiation studies on an MV research linear accelerator (Linatron-M9) using radiochromic gel dosimetry. The research linear accelerator (Linatron-M9) is a 9 MV linac with a static fixed collimator opening of 5.08 cm diameter. Lead collimators were manually placed to create smaller fields of 2 × 2 cm 2 , 1 × 1 cm 2 , and 0.5 × 0.5 cm 2 . Relative dosimetry measurements were performed, including profiles, percent depth dose (PDD) curves, beam divergence, and relative output factors using various dosimetry tools, including a small volume ionization chamber (A14), GAFCHROMIC™ EBT3 film, and Clearview gel dosimeters. The gel dosimeter was used to provide a 3D volumetric reference of the irradiated fields. The Linatron profiles and relative output factors were extracted at a reference depth of 2 cm with the output factor measured relative to the 2 × 2 cm 2 reference field. Absolute dosimetry was performed using A14 ionization chamber measurements, which were verified using a national standards laboratory remote dosimetry service. Absolute dosimetry measurements were confirmed within 1.4% (k = 2, 95% confidence = 5%). The relative output factor of the small fields measured with films and gels agreed with a maximum relative percent error difference between the two methods of 1.1 % for the 1 × 1 cm 2 field and 4.3 % for the 0.5 × 0.5 cm 2 field. These relative errors were primarily due to the variability in the collimator positioning. The measured beam profiles demonstrated excellent agreement for beam size (measured as FWHM), within approximately 0.8 mm (or less). Film measurements were more accurate in the penumbra region due to the film’s finer resolution compared with the gel dosimeter. Following the van Dyk criteria, the PDD values of the film and gel measurements agree within 11% in the buildup region starting from 0.5 cm depth and within 2.6 % beyond maximum dose and into the fall-off region for depths up to 5 cm. The 2D beam profile isodose lines agree within 0.5 mm in all regions for the 0.5 × 0.5 cm 2 and the 1 × 1 cm 2 fields and within 1 mm for the larger field of 2 × 2 cm 2 . The 2D PDD curves agree within approximately 2% of the maximum in the typical therapy region (1–4 cm) for the 1 × 1 cm 2 and 2 × 2 cm 2 and within 5% for the 0.5 × 0.5 cm 2 field. This work provides a commissioning process to measure the beam characteristics of a fixed beam MV accelerator with detailed dosimetric evaluation for its implementation in megavoltage small animal irradiation studies. Radiochromic gel dosimeters are efficient small-field relative dosimetry tools providing 3D dose measurements allowing for full representation of dose, dosimeter misalignment corrections and high reproducibility with low inter-dosimeter variability. Altogether, radiochromic gels are valuable for fast, full relative dosimetry commissioning in comparison to films for application in high-energy small-field animal irradiation studies.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
NASA NTRS1997

Global Plate Velocities from the Global Positioning System

We have analyzed 204 days of Global Positioning System (GPS) data from the global GPS network spanning January 1991 through March 1996. On the basis of these GPS coordinate solutions, we have estimated velocities for 38 sites, mostly located on the interiors of the Africa, Antarctica, Australia, Eurasia, Nazca, North America, Pacific, and South America plates. The uncertainties of the horizontal velocity components range from 1.2 to 5.0 mm/yr. With the exception of sites on the Pacific and Nazca plates, the GPS velocities agree with absolute plate model predictions within 95% confidence. For most of the sites in North America, Antarctica, and Eurasia, the agreement is better than 2 mm/yr. We find no persuasive evidence for significant vertical motions (less than 3 standard deviations), except at four sites. Three of these four were sites constrained to geodetic reference frame velocities. The GPS velocities were then used to estimate angular velocities for eight tectonic plates. Absolute angular velocities derived from the GPS data agree with the no net rotation (NNR) NUVEL-1A model within 95% confidence except for the Pacific plate. Our pole of rotation for the Pacific plate lies 11.5 deg west of the NNR NUVEL-1A pole, with an angular speed 10% faster. Our relative angular velocities agree with NUVEL-1A except for some involving the Pacific plate. While our Pacific-North America angular velocity differs significantly from NUVEL-1A, our model and NUVEL-1A predict very small differences in relative motion along the Pacific-North America plate boundary itself. Our Pacific-Australia and Pacific- Eurasia angular velocities are significantly faster than NUVEL-1A, predicting more rapid convergence at these two plate boundaries. Along the East Pacific Pise, our Pacific-Nazca angular velocity agrees in both rate and azimuth with NUVFL-1A.

Larson, Kristine M.↗
NASA NTRS1998

Results from the 1995 Stratospheric Ozone Profile Intercomparison at Mauna Loa (MLO3)

In August 1995 multiple instruments that measure the stratospheric ozone vertical distribution were intercompared at the Mauna Loa Observatory, Hawaii, under the auspices of the Network for the Detection of Stratospheric Change. The instruments included two UV lidar systems, one from JPL and the other from Goddard Space Flight Center, ECC balloon-sondes, a ground-based microwave instrument, Umkehr measurements, and a new ground-based FTIR instrument. The MLS instrument on the UARS satellite provided correlative profiles of ozone, and there was one close overpass of the SAGE II instrument. The results show that much better consistency among instruments is being achieved than even a few years ago, usually to within the instrument uncertainties. The different measurement techniques in this comparison agree to within +/-10% at almost all altitudes, and in the 20 km to 45 km region most agreed within +/-5%. The results show that the current generation of lidars are capable of accurate measurement of the ozone profile to a maximum altitude of 50 km. SAGE agreed well with both lidar and balloon-sonde down to at least 17 km. The ground-based microwave measurement agreed with other measurements from 22 km to above 50 km. One minor source of disagreement continues to be the pressure-altitude conversion needed to compare a measurement of ozone density versus altitude with a measurement of ozone mixing ratio versus pressure.

McPeters, R. D.↗
NASA NTRS2001

Comparison of ER-2 Aircraft and POAM-III, MLS, and SAGE-II Satellite Measurements During SOLVE Using Traditional Correlative Analysis and Trajectory Hunting Technique

We compared the version 5 Microwave Limb Sounder (MLS) aboard the Upper Atmosphere Research Satellite (UARS), version 3 Polar Ozone and Aerosol Measurement-III (POAM-111) aboard the French satellite SPOT-IV, version 6.0 Stratospheric Aerosol and Gas Experiment 11 (SAGE-II) aboard the Earth Radiation Budget Satellite, and NASA ER-2 aircraft measurements made in the northern hemisphere in January-February 2000 during the SAGE III Ozone Loss and Validation Experiment (SOLVE). This study addresses one of the key scientific objectives of the SOLVE campaign, namely, to validate multi-platform satellite measurements made in the polar stratosphere during winter. This intercomparison was performed using a traditional correlative analysis (TCA) and a trajectory hunting technique (THT). Launching backward and forward trajectories from the points of measurement, the THT identifies air parcels sampled at least twice within a prescribed match criterion during the course of 5 days. We found that the ozone measurements made by these four instruments agree most of the time within 110% in the stratosphere up to 1400 K (approximately 35 km). The water vapor measurements from POAM-III and the ER-2 Harvard Lyman-alpha hygrometer and JPL laser hygrometer agree to within 10.5 ppmv (or about +/-10%) in the lower stratosphere above 380 K. The MLS and ER-2 ClO measurements agree within their error bars for the TCA. The MLS and ER-2 nitric acid measurements near 17-20 km altitude agree within their uncertainties most of the time with a hint of a positive offset by MLS according to the TCA. We also applied the AER box model constrained by the ER-2 measurements for analysis of the ClO and HN03 measurements using the THT. We found that: (1) the model values of ClO are smaller by about 0.3-0.4 (0.2) ppbv below (above) 400 K than those by MLS and (2) the HN03 comparison shows a positive offset of MLS values by approximately 1 and 1-2 ppbv below 400 K and near 450 K, respectively. It is hard to quantify the HN03 offset in the 400-440 K range because of the high sensitivity of nitric acid to the PSC schemes. Our study shows that, with some limitations (like HN03 comparison under PSC conditions), the THT is a more powerful tool for validation studies than the TCA, making conclusions of the comparison statistically more robust.

Danilin, M. Y.↗
NASA NTRS1995

Theoretical Infrared Spectra for Polycyclic Aromatic Hydrocarbon Neutrals, Cations and Anions

Calculations are carried out using density functional theory (DFT) to determine the harmonic frequencies and intensities of the neutrals and cations of thirteen polycyclic aromatic hydrocarbons (PAHs) up to the size of ovalene. Calculations are also carried out for a few PAH anions. The DFT harmonic frequencies, when uniformly scaled by the factor of 0.958 to account primarily for anharmonicity, agree with the matrix isolation fundamentals to within an average error of about 10 per centimeter. Electron correlation is found to significantly reduce the intensities of many of the cation harmonics, bringing them into much better agreement with the available experimental data. While the theoretical infrared spectra agree well with the experimental data for the neutral systems and for many of the cations, there are notable discrepancies with the experimental matrix isolation data for some PAH cations that are difficult to explain in terms of limitations in the calculations. In agreement with previous theoretical work, the present calculations show that the relative intensities for the astronomical unidentified infrared (UIR) bands agree reasonably well with those for a distribution of polycyclic aromatic hydrocarbon (PAH) cations, but not with a distribution of PAH neutrals. We also observe that the infrared spectra of highly symmetrical cations such as coronene agree much better with astronomical observations than do those of, for example, the polyacenes such as tetracene and pentacene. The total integrated intensities for the neutral species are found to increase linearly with size, while the total integrated intensities are much larger for the cations and scale more nearly quadratically with size. We conclude that emission from moderate-sized highly symmetric PAH cations such as coronene and larger could account for the UIR bands.

Langhoff, Stephen R.↗
NASA NTRS2004

The Validation of Version 8 Ozone Profiles: Is SBUV Ready for Prime Time?

Ozone profile data are now available from a series of BUV instruments - SBUV on Nimbus 7 and SBW/2 instruments on NOAA 9, NOAA 11, and NOAA 16. The data have been processed through the new version 8 algorithm, which is designed to be more accurate and, more importantly, to reduce the influence of the a priori on ozone trends. As a part of the version 8 reprocessing we have attempted to apply a consistent calibration to the individual instruments so that their data records can be used together in a time series analysis. Validation consists of examining not only the mean difference from external datasets (i.e trends) but also consistency in the interannual variability of the data. Here we validate the v8 BUV data through comparison with ECC sondes, lidar and microwave measurements, and with SAGE II and HALOE satellite data records. We find that individual profiles generally agree with external data sets within +/-10% between 30 hPa and 1 hPa (approx. 24 - 50 km) and frequently agree within +/-5%. The interannual variability of the BUV ozone time series agrees well with that of SAGE II . On the average, different B W instruments usually agree within +/-5% with each other, though the relative error increases near the ends of the Nimbus 7 and NOAA 16 data records as a result of instrument problems. The combined v8 BUV data sets cover the 1979-2003 time period giving daily global coverage of the ozone vertical distribution to better accuracy than has ever been possible before.

McPeters, R. D.↗
NASA NTRSDate not supplied

The Use of the BSRN Data as A Benchmark for the POWER Hourly DHI and DNI and In Validating Derived Hourly GTI

The satellite-based CERES SYN1deg hourly data is the source data of the POWER GIS solar data that covers 2001 to near present. The SYN1deg(Ed4.1) hourly GHI agrees well with the BSRN data, but the hourly DHI and DirHI (Direct Horizontal Irradiance) are positively and negatively, respectively, biased with appreciable magnitudes. The hourly DNI, derived by dividing the DirHI by cos(SZA), or the cosine of the solar zenith angle, is therefore negatively biased. Based on the statistics of comparisons with the BSRN data, we performed bias corrections on the hourly DHI and DNI. The corrections were executed in the 3-D phase space of latitude, cos(SZA), and cloud fraction (CLFR). The isotropic model is then used to derive the hourly global tilted irradiance (GTI). For validation purpose, we applied the isotropic model to the BSRN data at the original 1-, 2-, 3- or 5-minute interval. The satellite-based hourly GTI shows good agreement with their BSRN counterpart. We also examined two monthly-mean-based methods that empirically derive monthly mean GTI and DNI from monthly mean GHI and from both monthly mean GHI and DHI. The monthly-mean-based results compare favorably with the hourly-mean-based results. The GEWEX SRB (V4-IP) provides POWER with daily mean GHI for the years before the CERES era, and the data were corrected using quantile mapping by referencing the CERES SYN1deg data. We used the Kolmogorov -Smirnov test (K-S test) and Cramer-von Mises test to examine how well the results agree with the BSRN data. We found that if we set the lower limit for the daily mean GHI to 30 W m-2, the data can pass the K-S test at 0.01 significance level and the Cramer-von Mises test at 0.001 significance level. If no lower limit is set on the daily means, the data fail both tests. The satellite-based CERES SYN1deg hourly data is the source data of the POWER GIS solar data that covers 2001 to near present. The SYN1deg(Ed4.1) hourly GHI agrees well with the BSRN data, but the hourly DHI and DirHI (Direct Horizontal Irradiance) are positively and negatively, respectively, biased with appreciable magnitudes. The hourly DNI, derived by dividing the DirHI by cos(SZA), or the cosine of the solar zenith angle, is therefore negatively biased. Based on the statistics of comparisons with the BSRN data, we performed bias corrections on the hourly DHI and DNI. The corrections were executed in the 3-D phase space of latitude, cos(SZA), and cloud fraction (CLFR). The isotropic model is then used to derive the hourly global tilted irradiance (GTI). For validation purpose, we applied the isotropic model to the BSRN data at the original 1-, 2-, 3- or 5-minute interval. The satellite-based hourly GTI shows good agreement with their BSRN counterpart. We also examined two monthly-mean-based methods that empirically derive monthly mean GTI and DNI from monthly mean GHI and from both monthly mean GHI and DHI. The monthly-mean-based results compare favorably with the hourly-mean-based results. The GEWEX SRB (V4-IP) provides POWER with daily mean GHI for the years before the CERES era, and the data were corrected using quantile mapping by referencing the CERES SYN1deg data. We used the Kolmogorov -Smirnov test (K-S test) and Cramer-von Mises test to examine how well the results agree with the BSRN data. We found that if we set the lower limit for the daily mean GHI to 30 W m-2, the data can pass the K-S test at 0.01 significance level and the Cramer-von Mises test at 0.001 significance level. If no lower limit is set on the daily means, the data fail both tests.

Taiping Zhang↗
DOE OSTI2020

Depletion capabilities in the OpenMC Monte Carlo particle transport code

A depletion solver has been implemented in OpenMC and is described herein. The depletion solver is implemented in Python and interfaces with OpenMC’s transport solver through a C++ application programming interface, which enables an in-memory transport-depletion coupling. Multiple integration methods for advancing in time have been implemented and exhibit tradeoffs in cost, accuracy, and memory use. For all time integration methods, evaluation of the matrix exponential is performed by using the incomplete partial fraction form of the Chebyshev rational approximation method. Simulations of a pressurized water reactor (PWR) pincell and a sodium-cooled fast reactor (SFR) assembly were carried out with OpenMC and Serpent. For both problems, the use of a high-fidelity depletion chain results in predictions of k eff that agree within 20–30 pcm between OpenMC and Serpent. Predicted actinide concentrations were found to agree to a fraction of a percent, and most fission product concentrations were found to agree within 1%. Here, the few cases where larger differences were observed can be attributed either to differences in how the energy dependence of fission product yields is handled or deficiencies in the nuclear data used. OpenMC simulations of the PWR and SFR problems using a simplified 228-nuclide depletion chain demonstrate that it achieves accuracy close to that of the full, high-fidelity depletion chain with respect to the studied responses.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Particle emissions from mobile sources: Discussion of ultrafine particle emissions and definition

There is no universally agreed upon definition for ultrafine particles (UFP). Commonly used definitions for UFP are either particle number below 100 nm or total particle number, but without an agreed upon lower cut point. For example, a lower cut point of 3 nm compared to 10 nm could result in a substantially higher count. Another definition for UFP is total particle mass but without a commonly agreed upon aerodynamic diameter upper cut point, e.g., below 100 nm, 200 nm, 300 nm, etc. Yet another definition is lung deposited surface area weighted by lung deposition fraction, found mainly in the particle mobility diameter range from 20 to 400 nm. It is clear from these definitions that there are inconsistencies in the way UFP is used and defined in the literature. Sometimes these metrics are well correlated, sometimes not. In this paper we suggest three exposure metrics: UFP-N, UFP-M, and UFP-S, that we believe will add clarity. These metrics represent total number, mass, and surface area below 500 nm, respectively. For surface area and mass, the 500 nm cut point can be either aerodynamic or mobility diameter depending upon measurement methodology. For all metrics, this cut point captures nearly all of the primary particle emissions from mobile sources. Furthermore, UFP-N would include a lower cut point of 3–6 nm and would not require an upper size cut point because there is very little particle number above 500 nm or even above 100 nm. Thus, our definition of UFP-N is consistent with the current definition of ultrafine number except for, importantly, the specification of a lower cut point. These exposure metrics can help facilitate consistency in the characterization of both short- and long-term UFP ambient exposures and associated health effects in epidemiological studies.

42 ENGINEERING↗
DOE OSTI2024

Analysis of single-mode Richtmyer–Meshkov instability using high-order incompressible vorticity-streamfunction and shock-capturing simulations

In this study, two- and three-dimensional simulation results obtained using a new high-order incompressible, variable-density vorticity–streamfunction (VS) method and data from previous ninth-order weighted essentially nonoscillatory (WENO) shock-capturing simulations are used to investigate the nonlinear dynamics of single-mode Richtmyer–Meshkov instability using a model of a Mach 1.3 air(acetone)/SF6 shock tube experiment. A comparison of the density fields from both simulations with the experimental images demonstrates very good agreement in the large-scale structure with both methods but differences in the small-scale structure. The WENO method captures the small-scale disordered structure observed in the experiment, while the VS method partially captures such structure and yields a strong rotating core. The perturbation amplitude growth from the simulations generally agrees well with the experiment. The simulation bubble and spike amplitudes agree well at early times. At later times, the WENO bubble amplitude is smaller than the VS amplitude and vice versa for the spike amplitude. The predictions of nonlinear single-mode instability growth models are shown to agree with the simulation amplitudes at early-to-intermediate times but underpredict the amplitudes at later times in the nonlinear regime. Visualizations of the mass fraction and enstrophy isosurfaces, velocity and vorticity fields, and baroclinic vorticity production and vortex stretching terms from the three-dimensional simulations indicate that, with the exception of the small-scale structure within the rollups, the VS and WENO results are in good agreement.

42 ENGINEERING↗