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DOE OSTI2017

Processing of Ice Cloud In Situ Data Collected by Bulk Water, Scattering, and Imaging Probes: Fundamentals, Uncertainties, and Efforts toward Consistency

Abstract In situ observations of cloud properties made by airborne probes play a critical role in ice cloud research through their role in process studies, parameterization development, and evaluation of simulations and remote sensing retrievals. To determine how cloud properties vary with environmental conditions, in situ data collected during different field projects processed by different groups must be used. However, because of the diverse algorithms and codes that are used to process measurements, it can be challenging to compare the results. Therefore it is vital to understand both the limitations of specific probes and uncertainties introduced by processing algorithms. Since there is currently no universally accepted framework regarding how in situ measurements should be processed, there is a need for a general reference that describes the most commonly applied algorithms along with their strengths and weaknesses. Methods used to process data from bulk water probes, single-particle light-scattering spectrometers and cloud-imaging probes are reviewed herein, with emphasis on measurements of the ice phase. Particular attention is paid to how uncertainties, caveats, and assumptions in processing algorithms affect derived products since there is currently no consensus on the optimal way of analyzing data. Recommendations for improving the analysis and interpretation of in situ data include the following: establishment of a common reference library of individual processing algorithms, better documentation of assumptions used in these algorithms, development and maintenance of sustainable community software for processing in situ observations, and more studies that compare different algorithms with the same benchmark datasets.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

Quantifying Diurnal Cloud Radiative Effects by Cloud Type in the Tropical Western Pacific

Cloud radiative effects are examined using long-term datasets collected at the three Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Climate Research Facilities in the tropical western Pacific. We quantify the surface radiation budget, cloud populations, and cloud radiative effects by partitioning the data by cloud type, time of day, and as a function of large scale modes of variability such as El Niño Southern Oscillation (ENSO) phase and wet/dry seasons at Darwin. The novel facet of our analysis is that we break aggregate cloud radiative effects down by cloud type across the diurnal cycle. The Nauru cloud populations and subsequently the surface radiation budget are strongly impacted by ENSO variability whereas the cloud populations over Manus only shift slightly in response to changes in ENSO phase. The Darwin site exhibits large seasonal monsoon related variations. We show that while deeper convective clouds have a strong conditional influence on the radiation reaching the surface, their limited frequency reduces their aggregate radiative impact. The largest source of shortwave cloud radiative effects at all three sites comes from low clouds. We use the observations to demonstrate that potential model biases in the amplitude of the diurnal cycle and mean cloud frequency would lead to larger errors in the surface energy budget compared to biases in the timing of the diurnal cycle of cloud frequency. Our results provide solid benchmarks to evaluate model simulations of cloud radiative effects in the tropics.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

On the Spatial Gradient of Soil Moisture–Precipitation Feedback Strength in the April 2011 Drought in the Southern Great Plains

The southern Great Plains (SGP) underwent a record-breaking drought in 2011, in which the excessively dry conditions established quickly in spring (i.e., April) and extended into summer. Here, a regional climate model is used (after its evaluation) to simulate this April drought and investigate how a soil moisture anomaly could affect the development of its precipitation deficit. The authors explore how the local thermodynamic structure of the overlying atmosphere contributes to soil moisture feedbacks and how these feedbacks are connected to nonlocal mechanisms. The simulations establish a zonal gradient in the (generally positive) feedback strength [i.e., a significant (negligible) precipitation increase over the eastern (western) SGP] under an SGP-wide wet soil moisture anomaly and spatially similar evapotranspiration (ET) increments. This pattern is dominated by convective precipitation and consistent with spatial gradients in parameters relevant to moist convection, including the precipitable water, the low-level instability and humidity, and the local cloud water content. All these variables are sensitive to a wet soil moisture anomaly, but precipitation responds differently to their changes in different locations. Furthermore, the impacts of the soil moisture anomaly on various large-scale atmospheric fields are related to the spatial structure of feedback strength. Furthermore, the weaker feedback over the western SGP occurs in a region of relatively strong subsidence and changes little with a westward expansion of the anomaly area, whereas nonlocal soil moisture impacts—in particular, moisture advection from the west—are important for the stronger feedback over the eastern SGP.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Assessing CESM2 Clouds and Their Response to Climate Change Using Cloud Regimes

Abstract The Community Earth System Model, version 2 (CESM2), has a very high climate sensitivity driven by strong positive cloud feedbacks. To evaluate the simulated clouds in the present climate and characterize their response with climate warming, a clustering approach is applied to three independent satellite cloud products and a set of coupled climate simulations. Using k -means clustering with a Wasserstein distance cost function, a set of typical cloud configurations is derived for the satellite cloud products. Using satellite simulator output, the model clouds are classified into the observed cloud regimes in both current and future climates. The model qualitatively reproduces the observed cloud configurations in the historical simulation using the same time period as the satellite observations, but it struggles to capture the observed heterogeneity of clouds which leads to an overestimation of the frequency of a few preferred cloud regimes. This problem is especially apparent for boundary layer clouds. Those low-level cloud regimes also account for much of the climate response in the late twenty-first century in four shared socioeconomic pathway simulations. The model reduces the frequency of occurrence of these low-cloud regimes, especially in tropical regions under large-scale subsidence, in favor of regimes that have weaker cloud radiative effects.

58 GEOSCIENCES↗

DOE OSTI2025

XCal: model-based approach to X-ray CT spectral calibration

Transmission X-ray computed tomography (CT) is widely used to quantitatively reconstruct 3D objects composed of multiple materials. However, accurate CT reconstruction requires the system to be calibrated to account for the effective X-ray spectrum. Unfortunately, measurement of the effective spectrum is ill-posed, and existing calibration methods require that the system be recalibrated when the system parameters are changed. In this paper, we propose XCal, a multi-energy model-based spectral calibration approach for X-ray CT. The XCal approach models the effective spectrum using a separable physics-based model of the CT system. The model parameters are then estimated by fitting calibration data with known objects at multiple energies. An important advantage of XCal is that it allows the user to change scanner settings, such as the source voltage or X-ray filters, without the need for recalibration. Evaluations on simulated and measured datasets demonstrate that XCal significantly improves the accuracy of the estimated spectrum as compared to existing calibration methods.

Li, Wenrui [Purdue Univ., West Lafayette, IN (Unit↗

DOE OSTI2019

Estimating influenza incidence using search query deceptiveness and generalized ridge regression

Seasonal influenza is a sometimes surprisingly impactful disease, causing thousands of deaths per year along with much additional morbidity. Timely knowledge of the outbreak state is valuable for managing an effective response. The current state of the art is to gather this knowledge using in-person patient contact. While accurate, this is time-consuming and expensive. This has motivated inquiry into new approaches using internet activity traces, based on the theory that lay observations of health status lead to informative features in internet data. These approaches risk being deceived by activity traces having a coincidental, rather than informative, relationship to disease incidence; to our knowledge, this risk has not yet been quantitatively explored. We evaluated both simulated and real activity traces of varying deceptiveness for influenza incidence estimation using linear regression. We found that deceptiveness knowledge does reduce error in such estimates, that it may help automatically- selected features perform as well or better than features that require human curation, and that a semantic distance measure derived from the Wikipedia article category tree serves as a useful proxy for deceptiveness. This suggests that disease incidence estimation models should incorporate not only data about how internet features map to incidence but also additional data to estimate feature deceptiveness. By doing so, we may gain one more step along the path to accurate, reliable disease incidence estimation using internet data. This capability would improve public health by decreasing the cost and increasing the timeliness of such estimates.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2018

Qualitative Description of Electric Power System Future States

This work proposes a common basis for the simulation and evaluation of transactive systems. Using existing literature, a qualitative survey of the future states of the electric power system was conducted. Forces exerting influence on the state of the power system, called “drivers,” were identified. Specific future states in the literature were identified and classified into five general groups, and the effects of twelve previously identified drivers were assessed for each individual future state in the literature. Relationships between the five general future states were defined through a Venn diagram and system evolutions were demonstrated through notional narratives and corresponding paths through the diagram. A relational measure of the complexity and extent of the change implied by each future state was also created.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2018

Crystalline Silicotitanate (CST) Ion Exchange Media Performance Evaluations in SRS Average Supernate Simulant and Tank 10H Waste Solution to Support TCCR

Savannah River Remediation (SRR) is deploying an “at-tank” ion exchange process to remove radioactive cesium from waste supernate which is referred to as the Tank Closure Cesium Removal (TCCR) system utilizing Crystalline Silicotitanate (CST) media. After being loaded with cesium, but before flushed and dried and sent to Interim Safe Storage (ISS), it is anticipated that the TCCR ion exchange columns will be taken off-line (stagnant) with the CST media still immersed in supernate. The currently designed columns include no active cooling system during processing (although no rmal process fluid flow through the column during operations provides significant cooling) or during off-line conditions and temperature increases are expected in the stagnant, loaded, and liquid-filled columns due to decay heat from the radionuclides absorbed to the CST. As a result, modification of the Tank 10H supernate composition has been considered through the addition of either NaOH or KOH reagents to decrease cesium loading.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2018

Aging Hanford Nuclear Waste and Simulants Using Carbon Dioxide to Evaluate Corrosion at Lower pH Limits

Carbon dioxide gas was used to mimic the environmental chemistry that takes place as air contacts the surface layer of the waste solutions. Carbon dioxide acts as an acid in tank waste and has an affinity to the high pH solutions. Sodium hydroxide (a base) is added to tank waste according to waste handling specifications. This reagent is added in order to keep the tank metal protected from pitting corrosion. Problems that arise with performing sodium hydroxide additions are that volumes in some tanks are currently approaching capacity and every addition adds to the waste volume needing to be removed in order to close Hanford.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

Aging Hanford Nuclear Waste and Simulants Using Carbon Dioxide to Evaluate Corrosion at Lower pH Limits

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

Search for a low-energy excess of electron neutrinos in MicroBooNE

The Micro Booster Neutrino Experiment (MicroBooNE) is a Liquid Argon Time Projection Chamber (LArTPC) designed for short-baseline neutrino physics at the Fermi National Accelerator Laboratory. The main physics goal of MicroBooNE is to address the low-energy excess of electron-like events observed by the MiniBooNE experiment and, if confirmed, clarify its nature. The MiniBooNE experiment is a Cherenkov detector and this technology does not allow to distinguish between electrons and single photons in the final state. LArTPC detectors, instead, offer excellent granularity and powerful separation between electrons and photons. For this reason, they represent an ideal technology for the detection of electron neutrino interactions. This thesis presents the first fully-automated electron neutrino selection in a LArTPC. The selection looks for charged-current electron neutrino interactions with no pions and at least one proton in the final state. It is applied on a sub-sample of the data acquired by the detector in the Booster Neutrino Beam, corresponding to $4.34\times10^{19}$~protons-on-target. A validation of the analysis is performed on two orthogonal side-bands, enriched with neutral-current and charged-current muon neutrino interactions, respectively. The uncertainties on the neutrino cross sections, flux, and detector simulation are evaluated. The MicroBooNE detector is placed off-axis with the Neutrinos at the Main Injector (NuMI) beam. An independent dataset of events acquired by triggering on the NuMI beam is employed to measure the significance of the detection of electron neutrinos in the beam using the selection presented here. The sensitivity of the MicroBooNE experiment to the MiniBooNE low-energy excess of electron-like events is evaluated. The efficiency and background-rejection power necessary to achieve $5\sigma$ sensitivity are also quantified.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2015

Pressurized Gas Beam Monitor for Extremely High Intensities

The performance of a gas-filled RF resonator will be numerically simulated to evaluate the sensitivity of permittivity measurements and the effectiveness of calibration strategies. An entire resonator-hodoscope system will be designed and a demonstration test prepared.

43 PARTICLE ACCELERATORS↗

DOE OSTI2019

Dark Energy Survey’s Observation Strategy, Tactics, and Exposure Scheduler

The Dark Energy Survey is a “stage III” dark energy experiment, performing an optical imaging survey to measure cosmological equation of state parameters using four independent methods. The scope and complexity of the survey, originally scheduled for 525 nights of observing spread over five years and combining a 5000 degree wide survey with a 10 field weekly time-domain survey, introduced complex strategic and tactical scheduling problems that needed to be addressed. We begin with an overview of the process used to develop DES strategy and tactics, from the inception of the project, to task forces that studied and developed strategy changes over the course of the survey, to the nightly pre-observing meeting in which immediate tactical issues were addressed. We then summarize the strategic choices made for each sub-survey, including metrics, scheduling considerations, choice of time domain fields and their sequences of exposures, and wide survey footprint and pointing layout choices. We go on to describe the detailed process that determined which specific exposures were taken at which specific times. We give a chronology of the strategic and tactical peculiarities of each year of observing, including the proposal and execution of a sixth year. We give an overview of obstac, the implementation of the DES scheduler used to simulate and evaluate strategic and tactical options, and automate exposure scheduling; and describe developments in obstac for use after DES. Appendices describe further details of data quality evaluation, t, and teff; airmass calculation; and modeling of the seeing and sky brightness. The significant corpus of DES data indicates that the simple scaling relations for seeing as a function of wavelength and airmass derived from the Kolmogorov turbulence model work adequately for exposure planning purposes: deviations from these relations are modest in comparison with short time-scale seeing variations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Arctic Cloud Microphysical Processes. Final report

The primary goal of our team’s effort under this grant was to quantify Arctic lower-troposphere processes by tying data from the large suite of NSA instruments to modeling efforts indirectly through data assimilation and directly through remote sensing and cloud modeling efforts. We maintained a distinct focus on how the ARM measurements may be used evaluate model simulations and/or physical processes. We will separate this report into two distinct sections: our data assimilation effort and the use of NSA instruments to improve our understanding and modeling of model physics to better characterize the critical surface energy budget in polar regimes.

58 GEOSCIENCES↗

DOE OSTI2019

Justification for Use of the HELP Model to Estimate Infiltration Rates for the E-Area Low-Level Waste Facility Performance Assessment

Whiteside et al. conducted an in-depth literature review and performed basic infiltration model simulations to evaluate the Hydrologic Evaluation of Landfill Performance (HELP) model against five alternative computational codes utilizing the Richards equation for variably-saturated flow. Of the five alternatives considered (LEACHM, UNSAT-H, SVFlux, HYDRUS-2D3D, and VADOSE/W), only HYDRUS-2D3D and VADOSE/W were selected for further evaluation, which consisted of a side-by-side comparison versus HELP of calculated infiltration rates through a one-layer soil column with two percent slope.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Pressurized Gas Beam Monitor for Extremely High Intensities – Phase II

A novel pressurized gas-filled multi-RF-cavity beam profile monitor has been studied that is simple and robust in high-radiation environments. Charged particles passing through each RF-cavity in the monitor produce intensity-dependent ionized plasma, which changes the gas permittivity. Standard RF techniques to measure the change in quality factor (Q) and frequency (f) as a function of time are then used to determine the change in permittivity and corresponding beam intensity in each cavity in the profile monitor. The sensitivity to beam intensity is adjustable using gas pressure and RF gradient. The performance of the gas-filled beam profile monitor has been numerically simulated to evaluate the sensitivity of permittivity measurements and the effectiveness of calibration strategies. An entire multi-RF-cavity system has been designed and a demonstration test has been prepared.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Hardware Evaluation Analytical Modeling and Node Simulation: Benefits of Tighter GPU Integration

In this report, we examine several emerging technologies of interest to the Department of Energy and its computational centers. These include: 1) quantifying the benefit of tighter CPU-GPU integration, 2) quantifying the appropriate CPU core:GPU ratio, 3) quantifying the penalty for CPU-GPU disaggregation, 4) quantifying the benefits of tighter GPU-GPU integration, 5) quantifying the benefits of unified memory, and 6) quantifying the benefits of tighter FPGA-GPU integration.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

On the combustion of n-butyl acetate droplets

This paper presents an experimental and numerical study of the combustion of isolated n‑butyl acetate droplets in the standard atmosphere. Numerical simulations are reported using a model that incorporates unsteady gas and liquid transport, variable properties, and radiation. Three skeletal mechanisms of n‑butyl acetate, derived from a large detailed mechanism comprised of 819 species and 52,698 reactions, were used in the numerical simulations to evaluate the influence of the kinetic mechanism on burning. The reduced mechanisms comprised 212 species and 5413 reactions, 157 species and 3089 reactions, and 105 species and 1035 reactions. The numerical model did not include soot formation, though qualitatively mild sooting was noted only for droplets larger than 0.7 mm. The numerical predictions were in good agreement with experimental measurements of droplet and flame diameters. Flame extinction was numerically predicted which was attributed to a decrease of the characteristic diffusion time relative to the chemical time as droplet burned. Effects of initial droplet diameter on the evolution of maximum gas temperature (Tmax) and peak mole fractions of CO2 and CO are also examined numerically.

09 BIOMASS FUELS↗