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At least 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

ENDF/B-VIII.1

The ENDF/B-VIII.1 release is the newest evaluated nuclear data library produced, distributed, and recommended by CSEWG for use in nuclear science and technology applications. Among the many key advances, relative to the previous version ENDF/B-VIII.0, are: re-evaluation of 239Pu file by a joint international effort; updated 16,18O, 19F, 28-30Si, 50-54Cr, 55Mn, 54,56,57Fe, 63,65Cu, 139La, 233,235,238U, and 240,241Pu neutron nuclear data by the IAEA-coordinated INDEN collaboration; significant changes for 3He, 6Li, 9Be, 51V, 88Sr, 103Rh, 140,142Ce, Dy, 181Ta, Pt, 206-208Pb, and 234,236U neutron data; new nuclear data for the photo-nuclear, being 196 adopted from the IAEA2019 Photonuclear Data Library and one new file from JENDL-5; and new evaluations for the charged-particle and atomic sublibraries. Numerous thermal neutron scattering kernels were re-evaluated or provided for the very first time. Additionally, new covariance testing was implemented. ENDF/B-VIII.1 reduced bias in the simulations of many integral experiments with particular progress noted for fluorine, copper and stainless steel containing benchmarks. Data issues which had hindered the deployment of ENDF/B-VIII.0 for commercial nuclear power applications in high burn-up situations, were addressed. ENDF/B-VIII.1 data are distributed in both ENDF-6 and GNDS formats.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

VADER: A Tool for Criticality Safety Validation

The purpose of criticality safety is to prevent any inadvertent criticality from occurring during the handling or storage of fissile material. Calculations are frequently used to demonstrate that a sufficient subcritical margin exists. Validation is a key aspect of the evaluation process, establishing the suitability, accuracy, and associated uncertainty of the computational method and data to be used for the intended application. The validation process is performed by comparing the results of critical experiments with the calculated results from models of the experiments using the computational method to be validated. Laboratory critical experiments are controlled systems that achieve a k eff of approximately 1 in order to investigate the parameters at which such a critical condition is achieved. The validation parameters that are traditionally applied to safety analysis calculations are the bias and the bias uncertainty . The bias is the deviation of the average k eff of the validation suite from unity. The bias uncertainty accounts for the statistical uncertainty in the bias based on the standard deviation, sample size, and distribution of k eff values of the validation suite. The values of bias and bias uncertainty ensure that the systems predicted to be subcritical by the computational method will indeed be subcritical. The bias and bias uncertainty are often combined to determine an upper subcritical limit (USL) or computational margin that can then be applied to safety analysis calculations. Many methods have been developed by different organizations to calculate the bias and bias uncertainty for various types of criticality analyses. Each of these methods typically requires that the validity of various underpinning statistical assumptions be confirmed to demonstrate that the method is appropriate for the analysis of a given validation suite. An example of the validation decision making flow is shown in Fig.1. As shown in Fig. 1, the analyst performing the validation fits a trend line to the data and performs a test to determine if the trend was a statistically better representation of the data than if it were treated as an uncorrelated sample. If the trend line is a better representation of the data, then the analyst uses any one of a number of trending techniques to determine the bias and bias uncertainty. If a trend is not an appropriate representation of the data, then the analyst proceeds to perform a normality assessment for the data. If the normal assumption can be shown to be acceptable, then the analyst calculates the bias and bias uncertainty with the parametric technique. If the assumption of normality cannot be justified, then the nonparametric technique is used. Once the decision flow has been followed and the appropriate technique has been selected, the bias and bias uncertainty is typically combined with an administrative margin to determine a USL below which calculated values of k eff for safety analysis models can be considered subcritical. The calculations used in each decision are often performed with spreadsheets or with small programs available at various sites performing criticality analyses. Expertise in understanding and interpreting the results must be maintained to perform these calculations. This can often be an error-prone process. Oak Ridge National Laboratory (ORNL) is currently developing the Validation and Data Evaluation Resource (VADER) to simplify and automate the criticality safety validation process and to provide a software quality assurance pedigree to the calculational methods used. This paper discusses the use of the Fulcrum user interface with VADER, the anticipated initial capabilities of VADER to perform validation analyses, and the output from the code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Modelling the impact of quasar redshift errors on the full-shape analysis of correlations in the Lyman-α forest.

In preparation for the first cosmological measurements from the full shape of the Lyman-α (Lyα) forest from DESI, we must carefully model all relevant systematics that might bias our analysis. It was shown in Youles et al. (2022) that random quasar redshift errors produce a smoothing effect on the mean quasar continuum in the Lyα forest region. This, in turn, gives rise to spurious features in the Lyα autocorrelation and its cross-correlation with quasars. Using synthetic data sets based on the DESI survey, we confirm that the impact on BAO measurements is small, but that a bias is introduced to parameters which depend on the full shape of our correlations. We combine a model of this contamination in the cross-correlation (Youles et al. 2022) with a new model we introduce here for the auto-correlation. These are parametrised by 3 parameters, which, when included in a joint fit to both correlation functions, successfully eliminate any impact of redshift errors on our full-shape constraints. We also present a strategy for removing this contamination from real data, by removing ∼0.3% of correlating pairs.

cosmology↗
DOE OSTI2020

A Moist Physics Parameterization Based on Deep Learning

Abstract Current moist physics parameterization schemes in general circulation models (GCMs) are the main source of biases in simulated precipitation and atmospheric circulation. Recent advances in machine learning make it possible to explore data‐driven approaches to developing parameterization for moist physics processes such as convection and clouds. This study aims to develop a new moist physics parameterization scheme based on deep learning. We use a residual convolutional neural network (ResNet) for this purpose. It is trained with 1‐year simulation from a superparameterized GCM, SPCAM. An independent year of SPCAM simulation is used for evaluation. In the design of the neural network, referred to as ResCu, the moist static energy conservation during moist processes is considered. In addition, the past history of the atmospheric states, convection, and clouds is also considered. The predicted variables from the neural network are GCM grid‐scale heating and drying rates by convection and clouds, and cloud liquid and ice water contents. Precipitation is derived from predicted moisture tendency. In the independent data test, ResCu can accurately reproduce the SPCAM simulation in both time mean and temporal variance. Comparison with other neural networks demonstrates the superior performance of ResNet architecture. ResCu is further tested in a single‐column model for both continental midlatitude warm season convection and tropical monsoonal convection. In both cases, it simulates the timing and intensity of convective events well. In the prognostic test of tropical convection case, the simulated temperature and moisture biases with ResCu are smaller than those using conventional convection and cloud parameterizations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Galaxy clustering in harmonic space from the dark energy survey year 1 data: compatibility with real-space results

ABSTRACT We perform an analysis in harmonic space of the Dark Energy Survey Year 1 Data (DES-Y1) galaxy clustering photometric data using products obtained for the real-space analysis. We test our pipeline with a suite of lognormal simulations, which are used to validate scale cuts in harmonic space as well as to provide a covariance matrix that takes into account the DES-Y1 mask. We then apply this pipeline to DES-Y1 data taking into account survey property maps derived for the real-space analysis. We compare with real-space DES-Y1 results obtained from a similar pipeline. We show that the harmonic space analysis we develop yields results that are compatible with the real-space analysis for the bias parameters. This verification paves the way to performing a harmonic space analysis for the upcoming DES-Y3 data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Unlocking the unfolded structure of ubiquitin: Combining time-resolved x-ray solution scattering and molecular dynamics to generate unfolded ensembles

The unfolding dynamics of ubiquitin were studied using a combination of x-ray solution scattering (XSS) and molecular dynamics (MD) simulations. The kinetic analysis of the XSS ubiquitin signals showed that the protein unfolds through a two-state process, independent of the presence of destabilizing salts. In order to characterize the ensemble of unfolded states in atomic detail, the experimental XSS results were used as a constraint in the MD simulations through the incorporation of x-ray scattering derived potential to drive the folded ubiquitin structure toward sampling unfolded states consistent with the XSS signals. We detail how biased MD simulations provide insight into unfolded states that are otherwise difficult to resolve and underscore how experimental XSS data can be combined with MD to efficiently sample structures away from the native state. Our results indicate that ubiquitin samples unfolded in states with a high degree of loss in secondary structure yet without a collapse to a molten globule or fully solvated extended chain. Finally, we propose how using biased-MD can significantly decrease the computational time and resources required to sample experimentally relevant nonequilibrium states.

Chemistry↗
DOE OSTI2021

Combination of cluster number counts and two-point correlations: validation on mock Dark Energy Survey

ABSTRACT We present a method of combining cluster abundances and large-scale two-point correlations, namely galaxy clustering, galaxy–cluster cross-correlations, cluster autocorrelations, and cluster lensing. This data vector yields comparable cosmological constraints to traditional analyses that rely on small-scale cluster lensing for mass calibration. We use cosmological survey simulations designed to resemble the Dark Energy Survey Year 1 (DES-Y1) data to validate the analytical covariance matrix and the parameter inferences. The posterior distribution from the analysis of simulations is statistically consistent with the absence of systematic biases detectable at the precision of the DES-Y1 experiment. We compare the χ2 values in simulations to their expectation and find no significant difference. The robustness of our results against a variety of systematic effects is verified using a simulated likelihood analysis of DES-Y1-like data vectors. This work presents the first-ever end-to-end validation of a cluster abundance cosmological analysis on galaxy catalogue level simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Seismic signal augmentation to improve generalization of deep neural networks

Deep learning has emerged as an effective approach for seismic data processing in general, and for earthquake monitoring in particular. The ability of deep learning models to generalize beyond the training and validation data is important for comprehensive earthquake monitoring; this ability furthermore depends on the availability of a sufficiently large and complete training dataset. However, this requirement can prove challenging to meet due to significant effort and time for data collection and labeling. Data augmentation provides an efficient and effective approach for increasing the dimension of training samples and improving generalization to unseen samples. In this paper, we present augmentation methods appropriate for seismic waveforms and demonstrate their ability to reduce bias and increase performance. Furthermore, these augmentation methods can be applied to a wide range of deep learning applications designed for seismic data.

58 GEOSCIENCES↗
DOE OSTI2022

Improving the particle dry deposition scheme in the CMAQ photochemical modeling system

Dry deposition of atmospheric aerosols in large-scale models is a critical, but highly uncertain, sink process with a strong dependence on particle size, meteorological conditions, and land surface properties. This study investigates the particle dry deposition scheme implemented in the standard Community Multiscale Air Quality (CMAQ) model v5.2.1, characterizes its underlying parameterized components with comparison to a similar scheme in a contemporary regional-scale model, and proposes two updated schemes that are then evaluated with available ambient particle deposition velocity (V d ) measurements. Both updated schemes reduce the surprisingly strong dependence of deposition velocity on the aerosol mode width, with one scheme further introducing a dependence on vegetation coverage that is broadly consistent with variability in observations between vegetated and non-vegetated surfaces. Compared to the base scheme, the updated scheme with vegetation dependence increases V d for submicron particles and decreases it for larger particles by an average of 37% and –66%, respectively. This scheme performs statistically better than the base scheme, reducing fractional biases by 56%–97% for vegetated land-use types and has roughly equivalent performance over water. The base and updated schemes are tested with three annual CMAQ (v5.2.1) simulations for the year 2011; predicted ambient aerosol concentrations are evaluated with routine monitoring network observations and predicted dry deposition fluxes are evaluated with data from the Clean Air Status and Trends Network (CASTNET). The updated scheme with vegetation dependence reduces negative fractional biases for PM 10 by 41% and positive fractional biases for PM 2.5 organic carbon by 15%. This scheme has been incorporated into the most recent publicly accessible versions of CMAQ (v5.3 and beyond) to replace the scheme used in previous versions of CMAQ (v4.5 through v5.2.1).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

A Corrected Score Function Framework for Modelling Circadian Gene Expression

Many biological processes display oscillatory behaviour based on an approximately 24 h internal timing system specific to each individual. One process of particular interest is gene expression, for which several circadian transcriptomic studies have identified associations between gene expression during a 24 h period and an individual's health. A challenge with analysing data from these studies is that each individual's internal timing system is offset relative to the 24 h day-night cycle, where day–night cycle time is recorded for each collected sample. Laboratory procedures can accurately determine each individual's offset and determine the internal time of sample collection. However, these laboratory procedures are labour-intensive and expensive. Here, in this paper, we propose a corrected score function framework to obtain a regression model of gene expression given internal time when the offset of each individual is too burdensome to determine. A feature of this framework is that it does not require the probability distribution generating offsets to be symmetric with a mean of zero. Simulation studies validate the use of this corrected score function framework for cosinor regression, which is prevalent in circadian transcriptomic studies. Illustrations with data from three circadian transcriptomic studies further demonstrate that the proposed framework consistently mitigates bias relative to using a score function that does not account for this offset.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Quantifying spatial and vertical variations in soil C:N relationships in permafrost-affected landscapes

Permafrost regions are experiencing rapid changes that affect carbon (C) and nitrogen (N) cycles, with implications for vegetation dynamics and gas exchanges with the atmosphere. Soil C:N ratio is a key indicator of organic matter quality, yet spatial estimates of N stocks and C:N ratios lag behind those for C. We used quantile regression forests to compare direct and indirect digital soil mapping approaches for predicting soil C:N ratios at 0–30, 30–60, and 60–100 cm depths across a latitudinal transect in Alaska. The indirect approach – deriving C:N from separately predicted C and N stocks – outperformed direct mapping for the surface layer (0–30 cm), while direct mapping was marginally better at greater depths. However, prediction accuracy decreased with depth for both methods. Temperature and topography were the most important predictors. Both approaches overestimated low and underestimated high C:N ratios, with direct mapping showing greater bias. Our results underscore the challenges of modeling C:N ratios in heterogeneous, data-sparse permafrost soils, but also suggest that indirect mapping holds promise if supported by more extensive datasets.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Initial tests of large format sensors for the ATLAS ITk strip tracker

For the construction of the Inner Tracker (ITk) as part of the phase-II upgrade programme of the ATLAS detector for the High-Luminosity (HL) LHC, batches of Long Strip (LS) and Short Strip (SS) n + -in-p type micro-strip sensors have been produced by Hamamatsu Photonics and Infineon. The full size sensors measure approximately 98 × 98 mm 2 and are designed and engineered for tolerance against the 9.7 × 10 14 1 MeV n eq /cm 2 fluence expected at the HL-LHC, including a safety factor of 1.5. Each sensor has 2 or 4 columns of 1280 individual channels arranged at 75.5 μ m horizontal pitch. To ensure the sensors comply with their specifications, a Quality Control (QC) procedure has been implemented, comprising measurements on every individual sensor as well as on a sample basis. Every sensor is subjected to an initial visual inspection, after which the full surface of the sensor is captured with very high resolution by an automated camera setup. Non-contact metrology is performed to obtain the sensor surface profile. Electrical measurements establishing the reverse bias leakage current and depletion voltage are then conducted automatically. Sample sensors from every batch are subjected to 40 h of leakage stability checks in controlled atmosphere, and tests on every channel measuring leakage current, coupling capacitance and bias resistance are done. The recorded results are uploaded to a production database following data quality checks. In this paper, QC test validation data and the compiled results for the first batches of production grade sensors are presented. The QC protocol was validated, and the first production sensors were confirmed to be within specification. The results are compared to those from the previous generation of prototype sensors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Joint CO 2 Mole Fraction and Flux Analysis Confirms Missing Processes in CASA Terrestrial Carbon Uptake Over North America

Terrestrial biosphere models (TBMs) play a key role in the detection and attribution of carbon cycle processes at local to global scales and in projections of the coupled carbon-climate system. TBM evaluation commonly involves direct comparison to eddy-covariance flux measurements. This study uses atmospheric CO 2 mole fraction ([CO 2 ]) measured in situ from aircraft and tower, in addition to flux-measurements from summer 2016 to evaluate the CASA TBM. WRF-Chem is used to simulate [CO 2 ] using biogenic CO 2 fluxes from a CASA parameter-based ensemble and CarbonTracker version 2017 (CT2017) in addition to transport and CO 2 boundary condition ensembles. The resulting “super ensemble” of modeled [CO 2 ] demonstrates that the biosphere introduces the majority of uncertainty to the simulations. Both aircraft and tower [CO 2 ] data show that the CASA ensemble net ecosystem exchange (NEE) of CO 2 is biased high (NEE too positive) and identify the maximum light use efficiency E max a key parameter that drives the spread of the CASA ensemble in summer 2016. These findings are verified with flux-measurements. The direct comparison of the CASA flux ensemble with flux-measurements confirms missing sink processes in CASA. Separating the daytime and nighttime flux, we discover that the underestimated net uptake results from missing sink processes that result in overestimation of respiration. NEE biases are smaller in the CT2017 posterior biogenic fluxes, which assimilates observed [CO 2 ]. Flux tower analyses, however, reveal an unrealistic overestimation of nighttime respiration in CT2017 due to the limitation of inversion strategy.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Two-particle Bose–Einstein correlations in ${ pp }$ collisions at $\mathbf {\sqrt{s} = 13}$ TeV measured with the ATLAS detector at the LHC

This paper presents studies of Bose–Einstein correlations (BEC) in proton–proton collisions at a centre-of-mass energy of 13 TeV, using data from the ATLAS detector at the CERN Large Hadron Collider. Data were collected in a special low-luminosity configuration with a minimum-bias trigger and a high-multiplicity track trigger, accumulating integrated luminosities of 151 μb -1 and 8.4 nb -1 , respectively. The BEC are measured for pairs of like-sign charged particles, each with |η|<2.5, for two kinematic ranges: the first with particle p T >100 MeV and the second with particle p T >500 MeV. The BEC parameters, characterizing the source radius and particle correlation strength, are investigated as functions of charged-particle multiplicity (up to 300) and average transverse momentum of the pair (up to 1.5 GeV). The double-differential dependence on charged-particle multiplicity and average transverse momentum of the pair is also studied. The BEC radius is found to be independent of the charged-particle multiplicity for high charged-particle multiplicity (above 100), confirming a previous observation at lower energy. This saturation occurs independent of the transverse momentum of the pair.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Evaluation of WRF simulation of deep convection in the US Southern Great Plains

The Southern Great Plains (SGP) exhibits a relatively high frequency of periods with extremely high rainfall rates (RR) and hail. Here, seven months of 2017 are simulated using the Weather Research and Forecasting (WRF) model applied at convection permitting resolution with the Mibrandt-Yau microphysics scheme. Simulation fidelity is evaluated, particularly during intense convective events, using data from ASOS stations, dual-polarization RADAR, gridded data sets and observations at the DoE Atmospheric Radiation Measurement site. The spatial gradients and temporal variability of precipitation and the cumulative density functions for both RR and wind speeds exhibit fidelity. Odds ratios >1 indicate WRF is also skillful in simulating high composite reflectivity (cREF, used as a measure of widespread convection) and RR > 5 mmhr –1 over the domain. Detailed analyses of the ten days with highest spatial coverage of cREF >30 dBZ show spatially similar reflectivity fields and high RR in both RADAR data and WRF simulations. However, during periods of high reflectivity, WRF exhibits a positive bias in terms of very high RR (> 25 mmhr –1 ) and hail occurrence, and during the summer and transition months, maximum hail size is underestimated. For some renewable energy applications fidelity is required with respect to the joint probabilities of wind speed and RR and/or hail. While partial fidelity is achieved for the marginal probabilities, performance during events of critical importance to these energy applications is currently not sufficient. Further research into optimal WRF configurations in support of potential damage quantification for these applications is warranted.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Technical descriptions of the experimental dynamical downscaling simulations over North America by the CAM–MPAS variable-resolution model

Abstract. Comprehensive assessment of climate datasets is important for communicating model projections and associated uncertainties to stakeholders. Uncertainties can arise not only from assumptions and biases within the model but also from external factors such as computational constraint and data processing. To understand sources of uncertainties in global variable-resolution (VR) dynamical downscaling, we produced a regional climate dataset using the Model for Prediction Across Scales (MPAS; dynamical core version 4.0) coupled to the Community Atmosphere Model (CAM; version 5.4), which we refer to as CAM–MPAS hereafter. This document provides technical details of the model configuration, simulations, computational requirements, post-processing, and data archive of the experimental CAM–MPAS downscaling data. The CAM–MPAS model is configured with VR meshes featuring higher resolutions over North America as well as quasi-uniform-resolution meshes across the globe. The dataset includes multiple uniform- (240 and 120 km) and variable-resolution (50–200, 25–100, and 12–46 km) simulations for both the present-day (1990–2010) and future (2080–2100) periods, closely following the protocol of the North American Coordinated Regional Climate Downscaling Experiment. A deviation from the protocol is the pseudo-warming experiment for the future period, using the ocean boundary conditions produced by adding the sea surface temperature and sea-ice changes from the low-resolution version of the Max Planck Institute Earth System Model (MPI-ESM-LR) in the Coupled Model Intercomparison Project Phase 5 to the present-day ocean state from a reanalysis product. Some unique aspects of global VR models are evaluated to provide background knowledge to data users and to explore good practices for modelers who use VR models for regional downscaling. In the coarse-resolution domain, strong resolution sensitivity of the hydrological cycles exists over the tropics but does not appear to affect the midlatitude circulations in the Northern Hemisphere, including the downscaling target of North America. The pseudo-warming experiment leads to similar responses of large-scale circulations to the imposed radiative and boundary forcings in the CAM–MPAS and MPI-ESM-LR models, but their climatological states in the historical period differ over various regions, including North America. Such differences are carried to the future period, suggesting the importance of the base state climatology. Within the refined domain, precipitation statistics improve with higher resolutions, and such statistical inference is verified to be negligibly influenced by horizontal remapping during post-processing. Limited (≈50 % slower) throughput of the current code is found on a recent many-core/wide-vector high-performance computing system, which limits the lengths of the 12–46 km simulations and indirectly affects sampling uncertainty. Our experience shows that global and technical aspects of the VR downscaling framework require further investigations to reduce uncertainties for regional climate projection.

58 GEOSCIENCES↗
DOE OSTI2025

Systematic uncertainties from higher-twist corrections in DIS at large x

We investigate the systematic uncertainties and potential biases arising from the inclusion of large- x corrections to proton and deuteron deep inelastic scattering (DIS) data in global quantum chromodynamics (QCD) analyses. Using the CTEQ-JLab framework, we examine various approaches to implementing higher-twist corrections in nucleon structure functions and off-shell PDF modifications in deuteron targets. We analyze how these components interact and influence the determination of the d -quark PDF and the neutron structure function at large x . We find that it is very important to consider isospin-dependent higher-twist corrections in order to minimize implementation biases in the extracted quantities. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Training models using forces computed by stochastic electronic structure methods

Abstract Quantum Monte Carlo (QMC) can play a very important role in generating accurate data needed for constructing potential energy surfaces. We argue that QMC has advantages in terms of a smaller systematic bias and an ability to cover phase space more completely. The stochastic noise can ease the training of the machine learning model. We discuss how stochastic errors affect the generation of effective models by analyzing the errors within a linear least squares procedure, finding that there is an advantage to having many relatively imprecise data points for constructing models. We then analyze the effect of noise on a model of many-body silicon finding that noise in some situations improves the resulting model. We then study the effect of QMC noise on two machine learning models of dense hydrogen used in a recent study of its phase diagram. The noise enables us to estimate the errors in the model. We conclude with a discussion of future research problems.

Ceperley, David M. (ORCID:0000000150826271)↗