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At least 811 records · Page 45

Mean Inner Potential of Liquid Water

Improving our experimental and theoretical knowledge of electric potentials at liquid-solid boundaries is essential to achieve a deeper understanding of the driving forces behind interfacial processes. Electron holography has proved successful in probing solid-solid interfaces but requires knowledge of the materials’ mean inner potential (MIP, V0), which is a fundamental bulk material property. Combining off-axis electron holography with liquid phase transmission electron microscopy (LPTEM), we provide the first quantitative MIP determination of liquid water V0=+4.48±0.19 V. This value is larger than most theoretical predictions, and to explain the disagreement we assess the dominant factors needed in quantum simulations of liquid water. A precise MIP lays the foundations for nanoscale holographic potential measurements in liquids and provides a benchmark to improve quantum mechanical descriptions of aqueous systems and their interfaces in e.g. electrochemistry, solvation processes and spectroscopy.

Yesibolati, Murat N.↗

An Analysis of the Processes Affecting Rapid Near-Surface Water Vapor Increases during the Afternoon to Evening Transition in Oklahoma

Abstract This study used 20 years of Oklahoma Mesonet data to investigate the changes of near-surface water vapor mixing ratio qυ during the afternoon to evening transition (AET). Similar to past studies, increases in qυ are found to occur near sunset. However, the location, magnitude, and timing of the qυ maximum occurring during the AET are shown to be dependent on the seasonal growth and harvest of vegetation across Oklahoma in the spring and summer months. Particularly, the late spring harvest of winter wheat grown in Oklahoma appears to modify the relative contribution of local and nonlocal processes on qυ. By analyzing time series of qυ during the AET, it is found that the likelihood of a presunset qυ maximum is strongly dependent upon vegetation, soil moisture, wind speed, and cloud cover. Analysis also reveals that the increase in qυ during the AET can increase the parcel conditional instability despite the surface cooling produced by loss of insolation. Next to known changes in low-level wind shear, these changes in instability and moisture demonstrate new ways the AET can modify the presence of the key ingredients relevant to explaining the climatological increase in severe convective storm hazards around sunset.

Blumberg, W. G.↗

High quality draft genome sequence and analysis of Pontibacter roseus type strain SRC-1T (DSM 17521T) isolated from muddy waters of a drainage system in Chandigarh, India

Pontibacter roseus is a member of genus Pontibacter family Cytophagaceae, class Cytophagia. While the type species of the genus Pontibacter actiniarum was isolated in 2005 from a marine environment, subsequent species of the same genus have been found in different types of habitats ranging from seawater, sediment, desert soil, rhizosphere, contaminated sites, solar saltern and muddy water. Here we describe the features of Pontibacter roseus strain SRC-1 T along with its complete genome sequence and annotation from a culture of DSM 17521 T . In conclusion, the 4,581,480 bp long draft genome consists of 12 scaffolds with 4,003 protein-coding and 50 RNA genes and is a part of Genomic Encyclopedia of Type Strains: KMG-I project.

59 BASIC BIOLOGICAL SCIENCES↗

Pellet cladding mechanical interaction as a potential failure mechanism during a control rod drop accident in a boiling water reactor

Boiling water reactors (BWRs) represent approximately one-third of the operating fleet in the United States, contributing significantly towards the global effort in reducing carbon emissions. Even though most of the operating fleet has been in operation for quite some time, continued advancements in new nuclear fuel (such as accident tolerant fuel) or operating regimes (such as power up-rates and higher burnup operation) necessitates similar advancements in modeling and simulation capabilities. Bison, a component of the Virtual Environment for Reactor Applications (VERA), is a high-fidelity fuel performance code able to explore the fuel performance of a wide variety of fuel types in one-, two-, and three-dimensions. Until recently, the code had not been used for analyses of BWRs. Modeling capabilities have been added for Gd-bearing UO{sub 2} and pure zirconium liners. New models have been added based upon the U.S. Nuclear Regulatory Commission (NRC) guide-lines for hydrogen pickup in Zircaloy-2 claddings and pellet-clad mechanical interaction (PCMI) failure during a reactivity insertion accident (RIA), known as a rod drop accident (CRDA) in BWRs. Implementing and/or improving Bison modeling capabilities extended its analytical reach to areas beyond its original intended purpose. This paper demonstrates one of these capabilities as a proof of concept. Recently developed models enable Bison to provide an alternate approach for cladding integrity determination in CRDA evaluations, which currently use bounding conservative estimates. As part of this demonstration, NRC guidance on hydrogen-pickup and PCMI failure models were utilized in this research. Even though more research is needed in establishing right inputs and process in this area, this paper demonstrates Bison's ability to determine cladding integrity in a CRDA evaluation. This first of a kind demonstration is a proof of concept in this area, which could potentially be extended to a number of other areas where a more accurate cladding integrity determination would be needed. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Multiscale thermal hydraulic coupling methods for boiling water reactor simulation

During the last two years, the Virtual Environment for Reactor Applications (VERA) has been extended to simulate boiling water reactors (BWRs). The thermal hydraulic effects present in BWRs are far more complex than those in pressurized water reactors (PWRs). Therefore, the runtime is significantly increase and convergence behavior worse compared to PWRs. Most of the additional runtime is spent during the first few coupled iterations, when the power shape is still rapidly evolving, dramatically affecting the thermal hydraulics (TH). To alleviate the increased computational expense, a multiscale TH coupling approach was developed in VERA in which a highly efficient, simplified TH model is solved for several coupled iterations until the power shape is partially converged. The simplified solution is used to inform the assembly-wise flow distribution in the high-fidelity TH solver CTF, reducing the amount of work required to properly balance the pressure drop in each channel and reducing runtime for the couple calculation. Because the final TH calculations are performed with CTF, there is ultimately no impact on the accuracy of the converged solution. This paper presents the details of this multiscale TH coupling approach, along with results for a 4x4 array of GE-14 fuel bundles and whole-core coupled simulations of the Hatch core. These two cases show that the multiscale approach dramatically reduces the runtime of coupled BWR simulations. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Critical Review of Platinum Group Metal-Free Materials for Water Electrolysis: Transition from the Laboratory to the Market : Earth-abundant borides and phosphides as catalysts for sustainable hydrogen production

To combat the global problem of carbon dioxide emissions, hydrogen is the desired energy vector for the transition to environmentally benign fuel cell power. Water electrolysis (WE) is the major technology for sustainable hydrogen production. Despite the use of renewable solar and wind power as sources of electricity, one of the main barriers for the widespread implementation of WE is the scarcity and high cost of platinum group metals (pgms) that are used to catalyse the cathodic hydrogen evolution reaction (HER) and the anodic oxygen evolution reaction (OER). Hence, the critical pgm-based catalysts must be replaced with more sustainable alternatives for WE technologies to become commercially viable. This critical review describes the state-of-the-art pgm-free materials used in the WE application, with a major focus on phosphides and borides. Several emerging classes of HER and OER catalysts are reviewed and detailed structure-property correlations are comprehensively summarised. The influence of the crystallographic and electronic structures, morphology and bulk and surface chemistry of the catalysts on the activity towards OER and HER is discussed.

Chemistry↗

High Efficiency Water Heating Technology Development Final Report, Part II: CO 2 and Absorption-Based Residential Heat Pump Water Heater Development

The two objectives of this project were to 1.demonstrate an affordable path to an ENERGY STAR qualified electric heat pump water heater (HPWH) based on low-global warming potential (GWP) CO 2 refrigerant, and 2.demonstrate an affordable path to a gas-fired absorption-based heat pump water heater with a gas energy factor (EF) greater than 1.0. The first objective has been met, and the project has identified a promising low-cost option capable of meeting the second objective. This report documents the process followed and results obtained in addressing these objectives.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Pellet-Cladding Mechanical Interaction Failure Threshold for Reactivity Initiated Accidents for Pressurized Water Reactors and Boiling Water Reactors

Pacific Northwest National Laboratory (PNNL) has been requested by the U.S. Nuclear Regulatory Commission to evaluate the reactivity initiated accident (RIA) tests that have recently been performed in the Nuclear Safety Research Reactor (NSRR) and CABRI (French research reactor) on uranium dioxide (UO 2 ) and mixed uranium and plutonium dioxide (MOX) fuels, and to propose pellet-cladding mechanical interaction (PCMI) failure thresholds for RIA events. This report discusses how PNNL developed PCMI failure thresholds for RIA based on least squares (LSQ) regression fits to the RIA test data from cold-worked stress relief annealed (CWSRA) and recrystallized annealed (RXA) cladding alloys under pressurized water reactor (PWR) hot zero power (HZP) conditions and boiling water reactor (BWR) cold zero power (CZP) conditions.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Coal Bed Methane Natural Gas, Water Use and Water Quality

This unit process quantifies water use and water quality emissions resulting from the production of natural gas from a Coal Bed Methane (CBM) natural gas well. To access the model referenced in the report, please visit https://www.netl.doe.gov/energy-analysis/details?id=B4A8BD58-1293-424A-8741-6077215F8E39

03 NATURAL GAS↗

Quantum Theory of Semiconductor Photo-Catalysis and Solar Water Splitting / Theory and Computation for Semiconductor Catalysis of Solar Water Splitting / Static and Dynamic Thermal Effects in Solids. Final Report

This is the final report. The finished research was published in 27 journal papers listed below. The topics fall roughly into seven categories: Photochemistry of water at the GaN ($10\bar{1}0$) surface; Quasiparticles: Band electrons and Anharmonic phonons; Quasiharmonic theory; Anharmonic lattice thermal conductivity; Water and Ice; Electron-phonon effects; and, Alloy theory.

36 MATERIALS SCIENCE↗

Predictability and feedbacks of the ocean-soil-plant-atmosphere water cycle: deep learning water conductance in Earth System Model

This white paper responds to Focal Area 2. We seek to build predictive models of leaf and surface conductance of water by implementing deep learning (DL) data assimilation techniques. These new models would then be implemented in existing Land Surface Models (LSMs) and Earth System models (ESMs), generating novel water cycle feedbacks. In doing so, we would improve predictability of expected changes in land precipitation, soil moisture, and vegetation dynamics in the long-term, and the role of land cover on the impacts and feedbacks of extreme weather events in the short-term

54 ENVIRONMENTAL SCIENCES↗

Estimating Fresh Water Needs to Meet Future Thermoelectric Generation Requirements and Program Water Saving Benefits (2022 Update)

Freshwater availability is operationally critical for thermoelectric power plants. Trends indicating a growing population, along with increasing threats stemming from the changing climate could possibly set off water scarcity issues for U.S. thermoelectric generation in scarcity-prone regions in the country. This report is an update to a previous water needs analysis which was conducted in 2020 by the Department of Energy’s National Energy Technology Laboratory (DOE/NETL).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗