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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Beryllium Isotopes in Rainfall for Stratospheric-Tropospheric Exchange Dynamics Experiment (BIRDIE) (Field Campaign Report)

The Beryllium Isotopes in Rainfall for Stratospheric-Tropospheric Exchange Dynamics Experiment or BIRDIE was a precipitation collection campaign designed to measure cosmogenic isotopes of beryllium in rainfall and other forms of precipitation across the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility’s Southern Great Plains (SGP) atmospheric observatory. Precipitation samples were collected over three weeks (May 21-June 10, 2022) at 11 SGP sites across a 120-km 2 domain in northern and central Oklahoma. The field campaign targeted summertime convection rain events. We aimed to capture any spatial and/or temporal variability in the concentrations of beryllium-10 (10Be) and beryllium-7 (7Be) across the ARM SGP site during these rainfall events. The ratio of 10Be to 7Be (10/7Be) has been shown to be a powerful tracer for transport processes in the stratosphere-troposphere exchange (STE) system (e.g., Koch and Rind 1998). Any observed variability is analyzed to see if it could be linked to STE processes, including overshooting of deep convection clouds that penetrate the lower stratosphere. Six wet weather system events were collected within our three-week span. Five out of six of these rainfall events are classified as moderately to strongly convective. Those events are studied in more detail. The five systems also follow each other over a short period of 11 days. In our rainfall samples we observed spatial and event variability in the concentrations of beryllium-10 and -7 that resulted in variability of 10/7Be ratios. Each weather event appeared to exhibit a unique 10/7Be pattern across the domain that was not directly linked to storm total precipitation amount. To better understand the causes for this spatial variability, cloud characteristics in the domain were looked at to assess cloud type, cloud height, and depth information. We also ran Hybrid Single-Particle Lagrangian Integrated Trajectory (HYSPLIT) model back trajectories to identify possible air mass and moisture origins across our events. Detailed analysis is ongoing. The purpose of this technical report is to provide background on using cosmogenic isotopes as atmospheric tracers, describe the experimental design, and present the beryllium concentration and ratio data. Lastly, we note that BIRDIE coincided with two other deep convection field campaigns in the area: The National Aeronautics and Space Administration (NASA)’s Dynamics and Chemistry of the Summer Stratosphere (DCOTSS) experiment (https://dcotss.org/) centered in Salina, Kansas, and the Targeted Observation by Radars and (uncrewed aerial systems) UAS of Supercells (TORUS) experiment (https://catalog.eol.ucar.edu/torus_2022) across the U.S. Central Plains. Additionally, a Lawrence Livermore National Laboratory ( LLNL) team at DCOTSS attempted to measure 10Be/7Be ratios on aerosols collected in situ in the lower and mid-stratosphere over Kansas using high-altitude balloons. Precipitation samples were also collected on the ground in Salina, Kansas.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

A Physical Model for Understanding the Activation of MoS 2 Basal-plane Sulfur Atoms for the Hydrogen Evolution Reaction

All the DFT calculations are done with the Vienna Ab Initio Simulation Package (VASP) using the projector augmented wave method. The Bayesian error estimation exchange-correlation functionals (BEEF) with van der Waals interactions are employed. A plane-wave cutoff energy of 400 eV is used together with PAW-PBE potentials where semi core p states are treated as valence. All the calculations allow for spin-polarization. The structures are relaxed until the force is converged to < 0.01 eV/Å. The lattice parameter of MoS 2 unit cell, optimized with this functional, is 3.19 Å. A (4×4) supercell is used to model all the transition metal doped MoS 2 systems studied here, including those with S vacancies. For calculations in the initial dopant structure exploration, the Brillouin zone is sampled with a 3x3x1 Monkhorst-Pack k-point mesh. A 6×6×1 Monkhorst-Pack k-point mesh is used for the H binding energy and density of states calculations. In all calculations, the vacuum layer is set as 15 Å to eliminate periodic interaction perpendicular to the basal plane.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Electronic Structure and Mechanical Properties of Solvated Montmorillonite Clay Using Large-Scale DFT Method

Montmorillonite clay (MMT) has been widely used in engineering and environmental applications as a landfill barrier and toxic waste repository due to its unique property as an expandable clay mineral that can absorb water easily. This absorption process rendered MMT to be highly exothermic due to electrostatic interactions among molecules and hydrogen bonds between surface atoms. A detailed study of a large supercell model of structural clay enables us to predict long-term nuclear waste storage. Herein, a large solvent MMT model with 4071 atoms is studied using ab initio density functional theory. The DFT calculation and analysis clarify the important issues, such as bond strength, solvation effect, elasticity, and seismic wave velocities. These results are compared to our previous study on crystalline MMT (dry). The solvated MMT has reduced shear modulus (G), bulk modulus (K), and Young’s modulus (E). We observe that the conduction band (CB) in the density of states (DOS) of solvated MMT model has a single, conspicuous peak at –8.5 eV. Moreover, the atom-resolved partial density of states (PDOS) summarizes the roles played by each atom in the DOS. These findings illuminate numerous potential sophisticated applications of MMT clay.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Generation of the TSL for Zirconium Hydrides from Ab Initio Methods

Zirconium hydride (ZrHx) is a moderator material used in TRIGA and other reactors that may exist in multiple phases with varying stoichiometry, which include the δ phase and the ϵ phase. Current ENDF/B-VIII.0 ZrHx thermal scattering law (TSL) evaluations do not distinguish between phases. These sub-libraries were generated with the LEAPR module of NJOY using historic phonon spectra derived from a central force model and assume incoherent elastic scattering for both bound hydrogen and zirconium, which neglects the effects of crystal structures important for scattering from zirconium bound in ZrHx. In this work, the TSLs for hydrogen and zirconium bound in δ-ZrHx and ϵ-ZrH2 were generated from phonon spectra derived from modern ab initio lattice dynamics methods and ab initio molecular dynamics. Subsequently, TSLs for hydrogen and zirconium in ZrHx and ZrH2 were generated using the Full Law Analysis Scattering System Hub (FLASSH) code. The built-in generalized coherent elastic routine was used to generate the previously neglected elastic contribution from zirconium for this material. The present TSLs provide both a re-evaluation of the current ZrH sub-libraries and expansion of the set of TSLs available for the examination of neutrons in systems with zirconium hydride, permitting explicit treatment of δ and ϵ phases.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Ab Initio Simulation of Structure and Properties in Ni-Based Superalloys: Haynes282 and Inconel740

The electronic structure, interatomic bonding, and mechanical properties of two supercell models of Ni-based superalloys are calculated using ab initio density functional theory methods. The alloys, Haynes282 and Inconel740, are face-centered cubic lattices with 864 atoms and eleven elements. These multi-component alloys have very complex electronic structure, bonding and partial-charge distributions depending on the composition and strength of the local bonding environment. We employ the novel concept of total bond order density (TBOD) and its partial components (PBOD) to ascertain the internal cohesion that controls the intricate balance between the propensity of metallic bonding between Ni, Cr and Co, and the strong bonds with C and Al. We find Inconel740 has slightly stronger mechanical properties than Haynes282. Both Inconel740 and Haynes282 show ductile natures based on Poisson’s ratio. Poisson’s ratio shows marginal correlation with the TBOD. Comparison with more conventional high entropy alloys with equal components are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Sensing at the Nanoscale Using Nitrogen-Vacancy Centers in Diamond: A Model for a Quantum Pressure Sensor

The sensing of stress under harsh environmental conditions with high resolution has critical importance for a range of applications including earth’s subsurface scanning, geological CO2 storage monitoring, and mineral and resource recovery. Using a first-principles density functional theory (DFT) approach combined with the theoretical modelling of the low-energy Hamiltonian, here, we investigate a novel approach to detect unprecedented levels of pressure by taking advantage of the solid-state electronic spin of nitrogen-vacancy (NV) centers in diamond. We computationally explore the effect of strain on the defect band edges and band gaps by varying the lattice parameters of a diamond supercell hosting a single NV center. A low-energy Hamiltonian is developed that includes the effect of stress on the energy level of a ±1 spin manifold at the ground state. By quantifying the energy level shift and split, we predict pressure sensing of up to 0.3 MPa/Hz using the experimentally measured spin dephasing time. We show the superiority of the quantum sensing approach over traditional optical sensing techniques by discussing our results from DFT and theoretical modelling for the frequency shift per unit pressure. Importantly, we propose a quantum manometer that could be useful to measure earth’s subsurface vibrations as well as for pressure detection and monitoring in high-temperature superconductivity studies and in material sciences. Our results open avenues for the development of a sensing technology with high sensitivity and resolution under extreme pressure limits that potentially has a wider applicability than the existing pressure sensing technologies.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Mesoscale aspects of convective storms

The structure, evolution and mechanisms of mesoscale convective disturbances are reviewed and observation techniques for "nowcasting" their nature are discussed. A generalized mesometeorological scale is given, classifying both low and high pressure systems. Mesoscale storms are shown often to induce strong winds, but their wind speeds are significantly less than those accompanied by submesoscale disturbances, such as tornadoes, downbursts, and microbursts. Mesoscale convective complexes, severe storm wakes, and flash floods are considered. The understanding of the evolution of supercells is essential for improving nowcasting capabilities and a very accurate combination of radar and satellite measurements is required.

Fujita, T. T.↗
NASA NTRS1982

An intense, quasi-steady thunderstorm over mountainous terrain. I - Evolution of the storm-initiating mesoscale circulation

The evolution of mesoscale systems that eventually lead to the formation of large quasi-steady storm systems is investigated. The morphological and turbulent structure of the quasi-steady storm is described. Data obtained during the South Park Area Cumulus Experiment from surface meteorological stations, rawinsondes and tethered balloons, conventional and Doppler radars, powered aircraft, and satellites, indicate that on July 19, 1977, a north-south oriented line of intense convective cells formed and remained within South Park. Elevated surface heating created a region of low-level convergence, importing Pacific moisture from west of the Rockies. The mesoscale thunderstorm line formed over this convergence zone, and a single large convective cell was observed to grow on the southern end of the mesoscale line, exhibiting supercell characteristics and substantial modifications of the environmental flow.

Cotton, W. R.↗
NASA NTRS1985

Severe storm electricity

During FY-85, Researchers conducted a field program and analyzed data. The field program incorporated coordinated measurements made with a NASA U2. Results include the following: (1) ground truth measurements of lightning for comparison with those obtained by the U2; (2) analysis of dual-Doppler radar and dual-VHF lightning mapping data from a supercell storm; (3) analysis of synoptic conditions during three simultaneous storm systems on 13 May 1983 when unusually large numbers of positive cloud-to-ground (+CG) flashes occurred; (4) analysis of extremely low frequency (ELF) wave forms; and (5) an assessment of a cloud -ground strike location system using a combination of mobile laboratory and fixed-base TV video data.

Rust, W. D.↗
NASA NTRS1985

Detection of rotating thunderstorms using satellite imagery

In the case of the Carolina tornadoes, researchers prepared visible and IR GOES imagery covering the period 2000 Z when the storm entered South Carolina from Georgia until it exited North Carolina at 0200 Z into Virginia. The GOES IR imagery clearly demonstrated that this storm was imbedded in a continuously propagating mesolow with a well defined cold dome. The ground damage track paralleled exactly with the cold dome throughout the storm's life across the Carolinas. There were no advanced very high resolution radiometer (AVHRR) data during the period to allow researchers to inspect the cloud top for warm temperature anomalies. The Carolina storm did exhibit rightward deviating outflow which was oriented about 60 degrees to the 300 mb streamlines. The tornadoes of April 27, 1984 were part of a tornado producing cold front which stretched from Oklahoma to Minnesota. As the front moved eastward it touched off numerous tornadoes in eastern Wisconsin. GOES imagery for this data was prepared and it was strikingly clear that all along the North-South oriented squall line, the individual tunderstorms had cirrus plumes which had remarkable right deviation to the upper air flow. Unlike the Carolina long track supercell cell-mesolow system, these storms were isolated individual thunderstorms which touched off at least 16 tornadoes in eastern Wisconsin stretching from the Milwaukee area on the south to Vilas County in the north. The monster tornado of June 8, 1984 which leveled 90 percent of the village of Barneveld, Wisconsin and killed 9 persons is also discussed.

Anderson, C. E.↗
NASA NTRS1988

A diagnostic study of vertical fluxes in cumulus clouds using model output data

Midlatitude supercell, Florida sea-breeze convection, and tropical squall line simulations were performed using the Colorado State University Regional Atmospheric Modeling System which employed the non-hydrostatic, fully compressible, equations with parameterized microphysics. The time evolution of the vertical velocity variance (VVV) is especially interesting since it is a measure of the strength of convection. This variance exhibits striking similarities when analyzed for the aforementioned cases which may indicate that all convection is fundamentally similar. Vertical mass and moisture covariances appear strongly linked to VVV, so it may be the appropriate variable on which to base a hybrid cumulus parameterization scheme.

Weissbluth, M. J.↗
NASA NTRS1991

Cloud-to-ground lightning in a tornadic storm on 8 May 1986

The National Severe Storms Laboratory (NSSL) gathered Doppler radar and lightning ground strike data on a supercell storm that produced three tornadoes, including an F3 tornado in Edmond, Oklahoma, approximately 40 km north of NSSL. The Edmond storm formed 30 km ahead of a storm complex and developed its first and most damaging tornado just as the storm complex started to overtake it from the west. Lightning strike locations tended to concentrate just north of the mesocyclone, close to and inside a 50 dBZ reflectivity core. Positive ground flashes began just prior to the storm becoming tornadic, and positive flash rates peaked during the tornadic stage of the storm.

Macgorman, Donald R.↗
NASA NTRS1999

Characteristics of Thunderstorms and Lightning Flashes Which Produce Mesospheric Transient Luminous Events

A six year record of optical observations of lightning-induced mesospheric transient luminous events (TLEs) is available from the Yucca Ridge Field Station (YRFS) near Ft. Collins, CO. Climatological analyses reveal sprites and elves occur in a variety of convective storm types, but principally mesoscale convective systems (MCSs) and squall lines. Severe supercell storms rarely produce TLEs, except during their dissipating stage. Few TLEs are observed during storms with radar echo areas <7,500 sq km. Above this size there is a modest correlation with radar areal coverage. A typical High Plains storm produces 45 TLEs over a 143 interval. Sprites and most elves are associated with +CGs. The probability of a TLE increases with peak current. In six storms, 5.1% of +CGs produced TLEs, the number increasing to 32% of +CGs with >75 kA and 52% of +CGs with >100 kA peak current.

Lyons, W. A.↗
NASA NTRS1999

Cloud-to-Ground Lightning Characteristics of a Major Tropical Cyclone Tornado Outbreak

It is well known that most tropical cyclones (TCs) that make landfall along the Gulf coast of the United States spawn at least a few tornadoes. Although most landfalling TCs generate fewer than a dozen such tornadoes, a small proportion produce large swarm outbreaks, with as many as 25 or more tornadoes. Usually, these major outbreaks occur in large, intense hurricane-strength TCs, but on 15-17 August 1994 Tropical Storm Beryl spun off 37 tornadoes along its path from the Florida panhandle through the mid-Atlantic states. Some 32 of these tornadoes occurred on 16 August 1994 from eastern Georgia to southern Virginia, with most of these taking place in South Carolina. Beryl's 37 tornadoes moved it into what was at that time fifth place historically in terms of TC tornado productivity. The Beryl outbreak is especially noteworthy in that at least three of the tornadoes achieved peak intensity of F3 on the Fujita damage intensity scale. Although no fatalities resulted from the Beryl outbreak, at least 50 persons suffered injuries, and property damages totalled more than $50 million . The Beryl outbreak is a good example of a TC whose greatest danger to the public is its post-landfall severe weather. In this respect, and in the character of its swarm outbreak of tornadoes, it resembles another large tornado outbreak spawned by a relatively weak TC, Hurricane Danny of 1985). In the Danny outbreak, numerous shallow mini-supercell storms were found to have occurred, and it was noted that, because of the storms' relatively shallow depth, cloud-to-ground (CG) lightning was negligible. Better observations of future TC tornado outbreaks, especially with modern surveillance tools such as Doppler radars and the National Lightning Detection Network (NLDN), were recommended. Although the Beryl tornado outbreak is not the first set of TC-spawned tornado storms to be observed with the NLDN, it is one of the largest and likely the most intense such outbreak. The purpose of this paper is to document the NLDN-derived CG lightning characteristics of Beryl's tornadic storms, and to see how they compare with observations of CG lightning activity in other types of severe storms. In particular, we attempt to quantify the CG flash rates of TC tornadic cells, and to discover if there are any characteristics of their CG activity that may be useful to operational forecasters seeking to distinguish which cells are most likely to produce severe weather.

McCaul, Eugene W., Jr.↗
NASA NTRS2000

Lightning Activity within a Tornadic Thunderstorm Observed by the Optical Transient Detector (OTD)

The first storm-scale, total lightning observations during tornadogenesis from space are presented. The NASA (National Aeronautics and Space Administration) OTD (Optical Transient Detector) overpass of an Oklahoma supercell, just minutes prior to tornado touchdown on 17 April 1995, detected a lightning flash rate of 45 flashes/ min. The total lighting activity was at least 15 times greater than the cloud-to-ground lightning activity detected by the National Lightning Detection Network (NLDN), indicating most of the lightning was intracloud. Total lightning rates were decreasing rapidly prior to tornadic touchdown. These observations are consistent with the limited results from recent ground based measurements of total lightning activity in tornadic storms, suggesting significant intracloud lightning and rapidly decreasing flash rates prior to tornado touchdown.

Buechler, D. E.↗
NASA NTRS2000

Lightning Activity within a Tornadic Thunderstorm Observed by the Optical Transient Detector (OTD)

The first storm-scale, total lightning observations from space during tornadogenesis are presented. During the overpass of an Oklahoma supercell, just minutes prior to tornado touchdown on 17 April 1995, the NASA (National Aeronautics and Space Administration) OTD (Optical Transient Detector) detected a total of 143 flashes during approximately 3 minutes of observation time. The estimated total flash rate ranges from 45 (raw counts) to 78 (corrected for detection efficiency) flashes min-1. This total flash rate was at least 17 times greater than the cloud-to-ground lightning rate detected by the National Lightning Detection Network (NLDN), indicating most of the lightning was intracloud. Cloud-to-ground lightning at this time was also dominated by positive polarity flashes. In addition, total lightning rates were decreasing rapidly prior to touchdown. These OTD observations are consistent with the limited results from recent ground based measurements of total lightning activity in tornadic storms and corroborate that such storms have unusually high total flash rates, are dominated by intracloud lightning, and that the total flash rates are observed to decrease rapidly in the minutes prior to touchdown.

Buechler, D. E.↗
NASA NTRS2002

Extreme Lightning Flash Rates as an Early Indicator of Severe Storms

Extreme lightning flash rates are proving to be an early indicator of intensifying storms capable of producing tornadoes, damaging winds and hail. Most of this lightning is in the cloud, where the naked eye can not see it. Recent global observations of thunderstorms from space indicate that giant electrical storms (supercells and convective complexes) with flash rates on the order of 1 flash per second are most common over the land masses of the America sub-tropics and equatorial Congo Basin. Within the United States, the average tornado warning lead time on a national basis is about 11 min. The real-time observation of extreme flash rates and the rapid increase in the in-cloud flash rate, signalling the intensification of the storm updraft, may provide as much as a 50% increase in severe storm warning lead time.

Goodman, Steven J.↗
NASA NTRS2002

The North Alabama Lightning Mapping Array: Recent Results and Future Prospects

The North Alabama Lightning Mapping Array became operational in November 2001 as a principal component of a severe weather test bed to infuse new science and technologies into the short-term forecasting of severe and hazardous weather and the warning decision-making process. The LMA project is a collaboration among NASA scientists, National Weather Service (NWS) weather forecast offices (WFOs), emergency managers, and other partners. The time rate-of-change of storm characteristics and life-cycle trending are accomplished in real-time through the second generation Lightning Imaging Sensor Data Applications Display (LISDAD II) system, initially developed in T997 through a collaboration among NASA/MSFC, MIT/Lincoln Lab and the Melbourne, FL WFO. LISDAD II is now a distributed decision support system with a JAVA-based display application that allows anyone, anywhere to track individual storm histories within the Tennessee Valley region of the southeastern U.S. Since the inauguration of the LMA there has been an abundance of severe weather. During 23-24 November 2001, a major tornado outbreak was monitored by LMA in its first data acquisition effort (36 tornadoes in Alabama). Since that time the LMA has collected a vast amount of data on hailstorms and damaging wind events, non-tornadic supercells, and ordinary non-severe thunderstorms. In this paper we provide an overview of LMA observations and discuss future prospects for improving the short-term forecasting of convective weather.

Goodman, S. J.↗