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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 451 records · Page 25

Simulation studies of R 2 (Δη,Δφ) and P 2 (Δη,Δφ) correlation functions in pp collisions with the PYTHIA and HERWIG models

We report studies of charge-independent (CI) and charge-dependent (CD) two-particle differential-number correlation functions, R 2 (Δη,Δφ), and transverse momentum (p T ) correlation functions, P 2 (Δη,Δφ), of charged particles in √s = 2.76 TeV pp collisions with the PYTHIA and HERWIG models. Model predictions are presented for inclusive charged hadrons (h ± ), as well as pions (π ± ), kaons (K ± ), and (anti-)protons (p¯/p) in the ranges 0.2 < p T ≤ 2.0 GeV/c, 2.0 < p T ≤ 5.0 GeV/c, and 5.0 < p T ≤ 30.0 GeV/c, with full azimuthal coverage in the range |η| < 1.0. We compare the model predictions for the strength and shape of the R 2 and P 2 correlators as these pertain to recent measurements by the ALICE collaboration. The R 2 and P 2 correlation functions estimated with PYTHIA and HERWIG exhibit qualitatively similar near-side and away-side correlation structures but feature important differences. Here, our analysis indicates that comparative studies of R 2 and P 2 correlation functions would provide valuable insight towards the understanding of particle production in pp collisions, and by extension, should also be useful in studies of heavy-ion collisions. Comparison of the Δη dependence of R 2 and P 2 could contribute, in particular, to a better understanding and modeling of the angular ordering of particles produced by hadronization in jets, as well as a better description of jet fragmentation functions of identified species at low momentum fraction (z).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Evaluating proxies for the drivers of natural gas productivity using machine-learning models

We report the extensive development of unconventional reservoirs using horizontal drilling and multistage hydraulic fracturing has generated large volumes of reservoir characterization and production data. The analysis of this abundant data using statistical methods and advanced machine-learning (ML) techniques can provide data-driven insights into well performance. Most predictive modeling studies have focused on the impact that different well completion and stimulation strategies have on well production but have not fully exploited the available in situ rock property data to determine its role in reservoir productivity. We have used machine-learning techniques to rank rock mechanical properties, microseismic attributes, and stimulation parameters in the order of their significance for predicting natural gas production from an unconventional reservoir. The data for this study came from a hydraulically fractured well in the Marcellus Shale in Monongalia County, West Virginia. The data classes included measurements aggregated by well completion stage that included (1) gas production, (2) well-log-derived measurements including bulk density, elastic moduli, shear impedance, compressional impedance, brittleness, and gamma measurements, (3) microseismic attributes, (4) long-period long-duration (LPLD) event counts, (5) fracture counts, and (6) stimulation parameters that included the fluid injection volume and average pumping pressure. To identify observable proxies for the drivers of gas production, we evaluated five commonly used ML approaches including multivariate adaptive regression spline, Gaussian mixture model, random forest, gradient boosting, and neural network. We selected five variables including LPLD event count, seismogenic b-value, hydraulic diffusivity, cumulative moment, and fluid volume as the features most likely to impact gas productivity at the stage level in the study area. The data-driven selection of these parameters for their importance in determining gas production can help reservoir engineers design more effective hydraulic-fracture treatments in the Marcellus Shale and other similar unconventional reservoirs. Plain language summary: We use machine-learning methods and data-driven selection of reservoir parameters to rank and better understand their importance in determining gas production, which can help reservoir engineers design more effective hydraulic-fracture treatments in the Marcellus Shale and other similar unconventional reservoirs.

58 GEOSCIENCES↗

Inferring the spread of COVID-19: the role of time-varying reporting rate in epidemiological modelling

The role of epidemiological models is crucial for informing public health officials during a public health emergency, such as the COVID-19 pandemic. However, traditional epidemiological models fail to capture the time-varying effects of mitigation strategies and do not account for under-reporting of active cases, thus introducing bias in the estimation of model parameters. To infer more accurate parameter estimates and to reduce the uncertainty of these estimates, we extend the SIR and SEIR epidemiological models with two time-varying parameters that capture the transmission rate and the rate at which active cases are reported to health officials. Using two real data sets of COVID-19 cases, we perform Bayesian inference via our SIR and SEIR models with time-varying transmission and reporting rates and via their standard counterparts with constant rates; our approach provides parameter estimates with more realistic interpretation, and 1-week ahead predictions with reduced uncertainty. Furthermore, we find consistent under-reporting in the number of active cases in the data that we consider, suggesting that the initial phase of the pandemic was more widespread than previously reported.

42 ENGINEERING↗

Wind tunnel test of a variable-diameter tiltrotor (VDTR) model

This report documents the results from a wind tunnel test of a 1/6th scale Variable Diameter Tiltrotor (VDTR). This test was a joint effort of NASA Ames and Sikorsky Aircraft. The objective was to evaluate the aeroelastic and performance characteristics of the VDTR in conversion, hover, and cruise. The rotor diameter and nacelle angle of the model were remotely changed to represent tiltrotor operating conditions. Data is presented showing the propulsive force required in conversion, blade loads, angle of attack stability and simulated gust response, and hover and cruise performance. This test represents the first wind tunnel test of a variable diameter rotor applied to a tiltrotor concept. The results confirm some of the potential advantages of the VDTR and establish the variable diameter rotor a viable candidate for an advanced tiltrotor. This wind tunnel test successfully demonstrated the feasibility of the Variable Diameter rotor for tilt rotor aircraft. A wide range of test points were taken in hover, conversion, and cruise modes. The concept was shown to have a number of advantages over conventional tiltrotors such as reduced hover downwash with lower disk loading and significantly reduced longitudinal gust response in cruise. In the conversion regime, a high propulsive force was demonstrated for sustained flight with acceptable blade loads. The VDTR demonstrated excellent gust response capabilities. The horizontal gust response correlated well with predictions revealing only half the response to turbulence of the conventional civil tiltrotor.

Matuska, David↗

Electro-Thermal Characterization of Dynamical VO 2 Memristors via Local Activity Modeling

We report translating the surging interest in neuromorphic electronic components, such as those based on nonlinearities near Mott transitions, into large-scale commercial deployment faces steep challenges in the current lack of means to identify and design key material parameters. These issues are exemplified by the difficulties in connecting measurable material properties to device behavior via circuit element models. Here, the principle of local activity is used to build a model of VO 2 /SiN Mott threshold switches by sequentially accounting for constraints from a minimal set of quasistatic and dynamic electrical and high-spatial-resolution thermal data obtained via in situ thermoreflectance mapping. By combining independent data sets for devices with varying dimensions, the model is distilled to measurable material properties, and device scaling laws are established. The model can accurately predict electrical and thermal conductivities and capacitances and locally active dynamics (especially persistent spiking self-oscillations). The systematic procedure by which this model is developed has been a missing link in predictively connecting neuromorphic device behavior with their underlying material properties, and should enable rapid screening of material candidates before employing expensive manufacturing processes and testing procedures.

36 MATERIALS SCIENCE↗

Analysis of Open Hole Compression Specimens Using the CompDam Continuum Damage Mechanics Model

This report documents a validation study on the standard Open Hole Compression (OHC) laminate test specimen conducted as part of the NASA Advanced Composites Project (ACP). Tests were conducted on OHC specimens with hard, quasi-isotropic, and soft layups using digital image correlation and X-Ray computed tomography to capture the structural response and damage evolution. Progressive damage models were constructed for use with the CompDam continuum damage mechanics code following the best practices established during the ACP. Detailed interrogation of the analysis results and comparison with experimental measurements provide a basis for assessing the capability of the modeling approach for OHC. The structural response is found to be captured well, with strengths predicted within 3\% of the experimental values for hard and quasi-isotropic laminates. In the soft laminate, the model predicts failure to be more brittle than the nonlinear, ductile response that was measured. Damage states extracted from the models at the same load level as test measurements are overlaid to show directly the similarities and differences between test and analysis results. Studying the damage evolution predicted by the analysis reveals that the failure process is a competition between fiber damage and delamination/sub-laminate buckling, with fiber damage dominating the collapse in the hard laminate and sub-laminate buckling governing in the soft laminate. Finally, a series of parametric studies varying numerical solution parameters (mesh size, mass scaling) and physical properties (fiber direction compressive strength and toughness) reveal sensitivities and deficiencies of the model. To the authors' knowledge, this study is the first for OHC specimens to include detailed evaluation of damage mode interactions, direct overlay of predicted and measured damage states, and sensitivity of the predicted results to difficult-to-measure fiber direction material properties.

Continuum damage mechanics↗

Stress-constrained topology optimization of lattice-like structures using component-wise reduced order models

We report lattice-like structures can provide a combination of high stiffness with light weight that is useful in many applications, but a resolved finite element mesh of such structures results in a computationally expensive discretization. This computational expense may be particularly burdensome in many-query applications, such as optimization. We develop a stress-constrained topology optimization method for lattice-like structures that uses component-wise reduced order models as a cheap surrogate, providing accurate computation of stress fields while greatly reducing run time relative to a full order model. We demonstrate the ability of our method to produce large reductions in mass while respecting a constraint on the maximum stress in a pair of test problems. The ROM methodology provides a speedup of about 150x in forward solves compared to full order static condensation and provides a relative error of less than 5% in the relaxed stress.

97 MATHEMATICS AND COMPUTING↗

Statistics of gamma-ray bursts - Homogeneous spherical models

Early reports from the BATSE experiment seem to suggest that the observed gamma-ray bursts occur in a highly flattened region of space. This inference, however, is contradicted by the apparent isotropy of the bursts. Here, it is demonstrated that this apparent dilemma can be resolved in a straightforward manner if bursts occur in a bounded spherical volume centered about the observer. Such a geometrical distribution of the bursts can be consistent with the apparent isotropy of the bursts. Two different models in which the burst population is uniformly distributed in a bounded spherical region of space are considered.

Wasserman, Ira↗

Translating dosimetry of Dibenzo[ def,p ]chrysene (DBC) and metabolites across dose and species using physiologically based pharmacokinetic (PBPK) modeling

We report that Dibenzo[def,p]chrysene (DBC) is an environmental polycyclic aromatic hydrocarbon (PAH) that causes tumors in mice and has been classified as a probable human carcinogen by the International Agency for Research on Cancer. Animal toxicity studies often utilize higher doses than are found in relevant human exposures. Additionally, like many PAHs, DBC requires metabolic bioactivation to form the ultimate toxicant, and species differences in DBC and DBC metabolite metabolism have been observed. To understand the implications of dose and species differences, a physiologically based pharmacokinetic model (PBPK) for DBC and major metabolites was developed in mice and humans. Metabolism parameters used in the model were obtained from experimental in vitro metabolism assays using mice and human hepatic microsomes. PBPK model simulations were evaluated against mice dosed with 15 mg/kg DBC by oral gavage and human volunteers orally microdosed with 29 ng of DBC. DBC and its primary metabolite DBC-11,12-diol were measured in blood of mice and humans, while in urine, the majority of DBC metabolites were obeserved as conjugated DBC-11,12-diol, conjugated DBC tetrols, and unconjugated DBC tetrols. The PBPK model was able to predict the time course concentrations of DBC, DBC-11,12-diol, and other DBC metabolites in blood and urine of human volunteers and mice with reasonable accuracy. Agreement between model simulations and measured pharmacokinetic data in mice and human studies demonstrate the success and versatility of our model for interspecies extrapolation and applicability for different doses. Furthermore, our simulations show that internal dose metrics used for risk assessment do not necessarily scale allometrically, and that PBPK modeling provides a reliable approach to appropriately account for interspecies differences in metabolism and physiology.

59 BASIC BIOLOGICAL SCIENCES↗

Mechanistic insights into metal, nitrogen doped carbon catalysts for oxygen reduction: progress in computational modeling

We report metal and nitrogen doped carbon materials (denoted as M–N–C) synthesized through high-temperature pyrolysis have been found to exhibit activity for oxygen reduction reaction (ORR) approaching that of Pt and electrochemical stability higher than previous MN 4 -containing macrocyclic molecular catalysts. Tremendous efforts have thus been devoted to the advancement of M–N–C catalysts as an economical alternative to Pt-based catalysts for proton exchange membrane fuel cell cathodes with a focus on simultaneously improving activity and stability. To this end, novel computational modeling techniques have been developed and applied to acquire knowledge crucial for accelerating the pace of M–N–C catalyst development. In this review, recent progress in computational method development, as well as the predictions of chemical structure of active sites, reaction pathways, ORR kinetics, and catalyst stability in electrochemical environments, are critically surveyed. Moreover, the crucial role of computational modeling to elucidate the functional mechanism of M–N–C catalysts for ORR in acid media and enable rational design of M–N–C catalysts is discussed with a visionary outlook for the field.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Radiation effects on atherosclerosis in atomic bomb survivors: a cross-sectional study using structural equation modeling

Past reports indicated that total-body irradiation at low to moderate doses could be responsible for cardiovascular disease risks, but the mechanism remains unclear. The purpose of this study was to investigate the association between radiation exposure and atherosclerosis, an underlying pathology of cardiovascular diseases, in the Japanese atomic bomb survivors. We performed a cross-sectional study measuring 14 clinical-physiological atherosclerosis indicators during clinical exams from 2010 to 2014 in 3274 participants of the Adult Health Study cohort. Multivariable analyses were performed by using a structural equation model with latent factors representing underlying atherosclerotic pathologies: (1) arterial stiffness, (2) calcification, and (3) plaque as measured with indicators chosen a priori on the basis of clinical-physiological knowledge. Radiation was linearly associated with calcification (standardized coefficient per Gy 0.15, 95 % confidence interval: CI [0.070, 0.23]) and plaque (0.11, 95 % CI [0.029, 0.20]), small associations that were comparable to about 2 years of aging per Gy of radiation exposure, but not with arterial stiffness (0.036, 95 % CI [-0.025, 0.095]). The model fitted better and had narrower confidence intervals than separate ordinary regression models explaining individual indicators independently. The associations were less evident when the dose range was restricted to a maximum of 2 or 1 Gy. By combining individual clinical-physiological indicators that are correlated because of common, underlying atherosclerotic pathologies, we found a small, but significant association of radiation with atherosclerosis.

59 BASIC BIOLOGICAL SCIENCES↗

Release of Evaluated 235 U(n,f) Average Prompt Fission Neutron Multiplicities Including the CGMF Model

This report documents an evaluation of the average prompt fission neutron multiplicity, $\overline{v}_p$, of 235 U from 200 keV to 15 MeV that is a potential release candidate for the upcoming U.S. nuclear data library, ENDF/B-VIII.1. This evaluation had to be re-done from "scratch", as the input to the $\overline{v}_p$ evaluation of the previous library, ENDF/B-VIII.0, was lost. That means that all available experimental data were re-analyzed and uncertainties were re-estimated. Another major difference to ENDF/B-VIII.0 is that this evaluation includes model information from the Hauser-Feshbach fission fragment decay code CGMF, while ENDF/B-VIII.0 is based purely on experimental data. CGMF links several fission quantities with each other; $\overline{v}_p$ is predicted by assumptions made on, e.g., pre-neutron emission yields as a function of mass, the total kinetic energy, or spin and parity of fission fragments. This allows to perform two types of validation for the new 235 U $\overline{v}_p$: On the one hand, one can employ evaluated CGMF parameters obtained from fitting to experimental 235 U $\overline{v}_p$ to predict yields as a function of mass, the average total kinetic energy, or the mean energy of the prompt fission neutron spectrum. These model-predicted values can then be compared to experimental and evaluated data. The model-predicted fission-observable values using evaluated parameters obtained here are reasonably close to experimental data indicating the evaluated 235 U(n,f) $\overline{v}_p$ are physical. On the other hand, one can validate 235 U $\overline{v}_p$ with respect to integral responses such as fast ICSBEP critical assemblies or LLNL pulsed spheres. LLNL pulsed-sphere neutron-leakage spectra are minimally impacted by the new 235 U $\overline{v}_p$ as these experimental data are shape data and the $\overline{v}_p$ would mostly lead to a change in normalization of the data as the spheres are relatively thin (0.7 and 1.5 mean-free path) and, thus, mostly depend on 235 U $\overline{v}_p$ from 12-15 MeV. The change in the predicted effective neutron multiplication factor, k eff , of selected ICSBEP critical assemblies, however, is large compared to values using ENDF/B-VIII.0 and experimental k eff : The average bias is 108 pcm across all studied k eff values versus 12 pcm for ENDF/B-VIII.0. A reasonable performance in simulating keff (mean bias of 14 pcm) can be retained by tweaking 235 U $\overline{v}_p$ from 3-5 MeV, and combining it with a recent 235 U PFNS evaluation that is also a ENDF/B-VIII.1 release candidate.

235U↗

Star counts from the Hubble Space Telescope Snapshot Survey. I - Galactic models

We report a photometric study of stars from 450 fields at high Galactic latitudes that were observed in the Hubble Space Telescope Snapshot Survey to an average limiting apparent magnitude of V = 21.4. There are 166 fields that contain quasars selected in radio, X-ray, and color-excess surveys. This sample of 273 stars is free of selection bias with respect to the density of stars. To within the Poisson errors, the total counts and magnitude distribution of this unbiased sample are in agreement with the Bahcall-Soneira model (Bahcall, 1986). The angular distribution of the faint stars favors, at the 2 sigma level, a somewhat steeper disk luminosity function and a smaller spheroid main-sequence normalization than given by the model. The sample does not have enough statistical power to distinguish between the two-component Bahcall-Soneira model and the three-component model first proposed by Gilmore and Reid (1983), which contains a thick disk. The statistical power of the survey would increase about 15-fold if colors were obtained for the stars: the data probe the main sequences of the disk, thick disk, and spheroid. Models with and without a thick disk could then be distinguished at the 6 sigma level. The HST Snapshot Survey includes an additional 284 fields, 279 of which are centered on quasars that were selected by objective-prism surveys. These 279 fields are expected to show and do exhibit bias against bright stars, making them unsuitable for testing Galactic models.

Gould, A.↗

Validation of a Deterministic Vibroacoustic Response Prediction Model

This report documents the recently completed effort involving validation of a deterministic theory for the random vibration problem of predicting the response of launch pad structures in the low-frequency range (0 to 50 hertz). Use of the Statistical Energy Analysis (SEA) methods is not suitable in this range. Measurements of launch-induced acoustic loads and subsequent structural response were made on a cantilever beam structure placed in close proximity (200 feet) to the launch pad. Innovative ways of characterizing random, nonstationary, non-Gaussian acoustics are used for the development of a structure's excitation model. Extremely good correlation was obtained between analytically computed responses and those measured on the cantilever beam. Additional tests are recommended to bound the problem to account for variations in launch trajectory and inclination.

Caimi, Raoul E.↗

Evaluation of the Benefits of ATF, FLEX, and Passive Cooling System for an Enhanced Resilient PWR Model

This report, along with report INL/EXT-19-53556, documents the activities performed by Idaho National Laboratory (INL) during the fiscal year (FY) 2019 for the DOE Light Water Reactor Sustainability (LWRS) Program, Risk-Informed System Analysis (RISA) Pathway, Enhanced Resilient Plant (ERP) Systems research. This report includes additional accident scenarios for risk-informed ATF analysis, and examines the risk impacts of FLEX and passive cooling system on nuclear power plants (NPPs) from additional perspectives. The same analysis process, risk analysis approaches, and analysis tools as in FY 2018 were used for near-term ATF cladding (i.e., Iron-Chromium-Aluminum [FeCrAl] cladding and Chromium [Cr]-coated cladding) designs under the small break loss-of-coolant accident (SBLOCA) scenarios, two types of general transient scenarios (locked rotor and turbine trip), and main steam line break (MSLB) scenarios. Benchmark calculations for ATF analysis using RELAP5-3D and MELCOR are also presented. In addition, based on the generic probabilistic risk assessment (PRA) model, the risk impacts of FLEX and the dynamic natural convection (DNC) system on NPPs are evaluated through a risk-informed decision-making process, i.e., significance determination process (SDP).

99 GENERAL AND MISCELLANEOUS↗

A compressible Navier-Stokes solver with two-equation and Reynolds stress turbulence closure models

This report outlines the development of a general purpose aerodynamic solver for compressible turbulent flows. Turbulent closure is achieved using either two equation or Reynolds stress transportation equations. The applicable equation set consists of Favre-averaged conservation equations for the mass, momentum and total energy, and transport equations for the turbulent stresses and turbulent dissipation rate. In order to develop a scheme with good shock capturing capabilities, good accuracy and general geometric capabilities, a multi-block cell centered finite volume approach is used. Viscous fluxes are discretized using a finite volume representation of a central difference operator and the source terms are treated as an integral over the control volume. The methodology is validated by testing the algorithm on both two and three dimensional flows. Both the two equation and Reynolds stress models are used on a two dimensional 10 degree compression ramp at Mach 3, and the two equation model is used on the three dimensional flow over a cone at angle of attack at Mach 3.5. With the development of this algorithm, it is now possible to compute complex, compressible high speed flow fields using both two equation and Reynolds stress turbulent closure models, with the capability of eventually evaluating their predictive performance.

Navier-Stoke solver↗

Advanced Combustion Numerics and Modeling: FY19 Third Quarter Report

This project is focused on early stage research and development of numerical methods and models to improve advanced engine combustion concepts and systems. The current focus is on the development of new mathematics and algorithms to reduce the time to solution for advanced combustion engine design using detailed fuel chemistry. The research is prioritized towards the most time-consuming workflow bottlenecks (computer and human) and accuracy gaps that slow ACS program members. Zero-RK, the fast and accurate chemical kinetics solver software developed in this project, is central to the research efforts and continues to be developed to address the current and emerging needs of engine designers, engine modelers and fuel mechanism developers.

02 PETROLEUM↗

Evaluated 238 U(n,f) Average Prompt Fission Neutron Multiplicities Including the CGMF Model

This report documents an evaluation of the average prompt fission neutron multiplicity, $\overline{v}_p$, of 238 U from 800 keV to MeV. This evaluation had to be re-done from “scratch” as the input to previous $\overline{v}_p$ evaluations, specifically ENDF/B-VIII.0, was not found. That means that all available experimental data were re-analyzed and uncertainties were re-estimated. The new evaluated 238 U $\overline{v}_p$ based on only experimental data differs distinctly from ENDF/B-VIII.0 $\overline{v}_p$ from 2 to 4.5 MeV, and from 6 to 7 MeV, and is otherwise similar. The difference from 2 to 4.5 MeV stems from the fact that ENDF/B-VIII.0 was tweaked in this energy range to data of Frehaut, while two other, equally trustworthy, data sets would indicate an evaluated 238 U $\overline{v}_p$ that is up to 2% higher. Also, second chance fission in ENDF/B-VIII.0 was smoothed over from 6–7 MeV. Another major difference to ENDF/B-VIII.0 is that one of the evaluations presented here includes model information from the Hauser-Feshbach fission fragment decay code CGMF, while ENDF/B-VIII.0 is based purely on experimental data. CGMF links several fission quantities with each other; $\overline{v}_p$ is predicted by assumptions made on, e.g., pre-neutron emission yields as a function of mass, the total kinetic energy, or spin and parity of fission fragments. This allows to validate the new 238 U $\overline{v}_p$ by using CGMF parameters obtained from fitting to experimental 238 U $\overline{v}_p$ to predict yields as a function of mass, the average total kinetic energy, or the mean energy of the prompt fission neutron spectrum. These model-predicted values can then be compared to experimental and evaluated data. The model-predicted fission-observable values using evaluated parameters obtained here are reasonably close to experimental data for some observables, but are farther away from experimental data related to TKE observables. In addition to that, the evaluated 238 U(n,f) $\overline{v}_p$ shows similar deviations from ENDF/B-VIII.0 as for the evaluation with only experimental data. This difference is expected to lead to changes in simulated effective neutron multiplication factor, $k_{eff}$ of ICSBEP critical assemblies that are sensitive to 238 U in the fast range (BigTen, Flattop, Flattop-Pu). These changes in $k_{eff}$ need to be counter-balanced. Chi-Nu PFNS experimental data are expected to be released in the next few months that might lead to the needed changes in the PFNS. Until then, we hold off in benchmarking the new 238 U(n,f) $\overline{v}_p$ as well as submitting it to ENDF/B-VIII.1. Also, new high-precision 238 U $\overline{v}_p$ are expected to be measured by the CEA in the next two years that will shed further light on question on 238 U $\overline{v}_p$ from 2–4.5 and 6–7 MeV.

238U↗