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At least 145 records · Page 8

Turbulence theories and statistical closure approaches

When discussing research in physics and in science more generally, it is common to ascribe equal importance to the three components of the scientific trinity: theoretical, experimental, and computational studies. This review will explore the future of modern turbulence theory by tracing its history, which began in earnest with Kolmogorov’s 1941 analysis of turbulence cascade and inertial range [A.N. Kolmogorov, Dokl. Akad. Nauk SSSR, 30, 299, (1941); 32, 19, (1941)]. The 80th Anniversary of Kolmogorov’s landmark study is a welcome opportunity to survey the achievements and evaluate the future of the theoretical approach of turbulence research. Over the years, turbulence theories have been critically important in laying the foundation of our understanding of the nature of turbulent flows. In particular, the Direct Interaction Approximation (DIA) [R.H. Kraichnan, J. Fluid Mech., 5, 497 (1959)] and its subsequent development, known as the statistical closure approach, can be identified as perhaps the most profound single advancement. The remarkable success of the statistical closure has furnished a platform to study such essential concepts as the energy transfer process and interacting scales, and the roles of the straining and sweeping motions. More recently, the quasi-Lagrangian formulation of V. L’vov & I. Procaccia and Kraichnan’s solvable passive scalar model provided powerful ways to explore another fundamental aspect of turbulent flows, the phenomena of intermittency, and the associated anomalous scaling exponents. In the meantime, the theory of fluid equilibria has been developed to describe the large-scale structures that can emerge from turbulent cascades of two-dimensional and geophysical flows at a later time. And yet, despite all these successes, analytical treatments suffer from mathematical complexities. As a result, the utility of theoretical approaches has been limited to relatively idealized flows. On the other hand, in recent decades, computational abilities and experimental facilities have reached an unprecedented scale. Looking beyond the horizon, the imminent deployment of exascale supercomputers will generate complete datasets of the entire flow field of key benchmark flows, allowing researchers to extract additional measurements concerning fully developed, complex turbulent flow fields far beyond those available from the statistical closure theories. Some other developments that could potentially influence the future course of turbulence theories include the advancement of machine learning, artificial intelligence, and data science; likely disruptions arising from the advent of quantum computation; and the increasingly prominent role of turbulence research in providing more accurate climate scientific data. Finally, turbulence theorists can leverage these developments by asking the right questions and developing advanced, sophisticated frameworks that will be able to predict and correlate vast amounts of data from the other two components of the trinity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Tracking Radionuclide Fractionation in the First Atomic Explosion Using Stable Elements

Compositional analysis of postdetonation fallout is a tool for forensic identification of nuclear devices. However, the relationship between device composition and fallout composition is difficult to interpret because of the complex combination of physical mixing, nuclear reactions, and chemical fractionations that occur in the chaotic nuclear fireball. By using a combination of in situ microanalytical techniques (electron microprobe analysis and secondary ion mass spectrometry), we show that some heavy stable elements (Rb, Sr, Zr, Ba, Cs, Ba, La, Ce, Nd, Sm, Dy, Lu, U, Th) in glassy fallout from the first nuclear test, Trinity, are reliable chemical proxies for radionuclides generated during the explosion. Stable-element proxies show that radionuclides from the Trinity device were chemically, but not isotopically, fractionated by condensation. Moreover, stable-element proxies delineate chemical fractionation trends that can be used to connect present-day fallout composition to past fireball composition. Stable-element proxies therefore offer a novel approach for elucidating the phenomenology of the nuclear fireball as it relates to the formation of debris and the fixation of device materials within debris.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Environmental Impact Analysis on the Hydraulic Fracture Test Site (HFTS)

Objective The Hydraulic Fracture Test Site (HFTS) provided a platform to test new extraction and production techniques and technologies to understand fracture geometry and increase the efficiency of shale hydrocarbon production. Eleven test wells were drilled in the Upper and Middle Wolfcamp formations, hydraulically fractured, and produced. Air quality, groundwater quality, and produced water chemistry and microbiology were monitored through the duration of the field experiment and one year into production. Methods BTEX, methane, VOCs, SOx, NOx, and PM 10 were measured 1,000 ft up-wind and 1,000 ft down-wind of the HFTS experiment before operations began, during hydraulic fracturing, flowback, and several months into production to evaluate operational impact on local air quality. The underlying Edward-Trinity Plateau aquifer was monitored using 5 groundwater wells within 2 miles of the HFTS pad; BTEX, methane, petroleum hydrocarbons, and a comprehensive suite of anions and metals were analyzed from samples taken before operations began, during hydraulic fracturing, flowback, and one year after production. Water produced from 3 of the 11 HFTS wells was analyzed for chemical and microbiological properties 1.5 years into production. Observations There was no significant impact to air quality from HFTS operations, although elevated BTEX concentrations were measured 1,000 ft. away from the well-pads during the flowback period. We detected no migration of hydrocarbon or fracture fluid chemical migration into the Edward-Trinity Plateau aquifer. Source waters used for hydraulic fracturing contained naturally occurring high concentrations (~500ppm) of sulfate. Rapid microbially induced corrosion was detected in several wells, leading to biocide dosing. Microbiological populations were significantly altered by biocide treatment, but still continued to increase in population size six months after application. Significance After hydraulic fracturing, detailed chemical and microbiological analysis provides evidence for microbiologicallymediated sub-surface transformations of supplied sulfate and organic carbon into sulfides. This report discusses air quality, water quality, and produced water analytical results for the HFTS experiment and further implications for the unconventional oil and gas industry.

Eisenlord, Sarah↗

The Perils of Paul: Near Disasters in Airborne Radiochemical Sampling

Beginning with the Trinity test in July 1945, Laboratory radiochemists have collected debris from nuclear tests by various means. At Trinity, two United States Army Sherman tanks were used. Beginning with Operation Crossroads and continuing throughout atmospheric testing, aircraft were used to fly in and around mushroom clouds to collect debris. Paul Guthals, the LASL project leader for sampling operations, flew on many of the B-57 sampling missions. Two such missions, one flown over the Nevada Test and one in the skies near Johnston Atoll, again proved the dangers involved in collecting airborne test debris. The events of these two missions are briefly recounted.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

The Inglorious Death of Jumbo

In the summer of 1944, J. Robert Oppenheimer and Los Alamos faced a crisis. An isotopic impurity in Plutonium rendered the metal unusable in a gun-assembled atomic bomb (i.e., Little Boy). Making this situation worse was a shortage of Uranium. The combination of these two problems threatened the entire wartime project. The answer to this dilemma, in part, was to develop a novel assembly method for Plutonium using the supersonic shock waves created by several tons of high explosives to compress a ball of Plutonium into a supercritical state. Since this method, implosion, was not much more than a theoretical construct, the Trinity test was devised to proof test the process. Given the speculative nature of implosion, Trinity was a gamble of sorts. If the test failed (i.e., little or no nuclear yield), the blast of the high explosives would scatter the scarce and expensive Plutonium over the surrounding desert. Since the probability of failure remained high into the early summer of 1945, some method of containing a failed nuclear explosion was needed. Jumbo was the answer.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

SPARC: Demonstrate burst-buffer-based checkpoint/restart on ATS-1.

Recent high-performance computing (HPC) platforms such as the Trinity Advanced Technology System (ATS-1) feature burst buffer resources that can have a dramatic impact on an application’s I/O performance. While these non-volatile memory (NVM) resources provide a new tier in the storage hierarchy, developers must find the right way to incorporate the technology into their applications in order to reap the benefits. Similar to other laboratories, Sandia is actively investigating ways in which these resources can be incorporated into our existing libraries and workflows without burdening our application developers with excessive, platform-specific details. This FY18Q1 milestone summaries our progress in adapting the Sandia Parallel Aerodynamics and Reentry Code (SPARC) in Sandia’s ATDM program to leverage Trinity’s burst buffers for checkpoint/restart operations. We investigated four different approaches with varying tradeoffs in this work: (1) simply updating job script to use stage-in/stage out burst buffer directives, (2) modifying SPARC to use LANL’s hierarchical I/O (HIO) library to store/retrieve checkpoints, (3) updating Sandia’s IOSS library to incorporate the burst buffer in all meshing I/O operations, and (4) modifying SPARC to use our Kelpie distributed memory library to store/retrieve checkpoints. Team members were successful in generating initial implementation for all four approaches, but were unable to obtain performance numbers in time for this report (reasons: initial problem sizes were not large enough to stress I/O, and SPARC refactor will require changes to our code). When we presented our work to the SPARC team, they expressed the most interest in the second and third approaches. The HIO work was favored because it is lightweight, unobtrusive, and should be portable to ATS-2. The IOSS work is seen as a long-term solution, and is favored because all I/O work (including checkpoints) can be deferred to a single library.

97 MATHEMATICS AND COMPUTING↗

Direct Numerical Simulation of Hypersonic Turbulent Boundary Layer Flow using SPARC: Initial Evaluation

This report documents the initial testing of the Sandia Parallel Aerodynamics and Reentry Code (SPARC) to directly simulate hypersonic, turbulent boundary layer flow over a sharp 7- degree half-angle cone. This type of computation involves a tremendously large range of scales both in time and space, requiring a large number of grid cells and the efficient utilization of a large pool of resources. The goal of the simulation is to mimic and verify a wind tunnel experiment that seeks to measure the turbulent surface pressure fluctuations. These data are necessary for building a model to predict random vibration loading in the reentry flight environment. A low-dissipation flux scheme in SPARC is used on a 2.7 billion cell mesh to capture the turbulent fluctuations in the boundary layer flow. The grid is divided into 115200 partitions and simulated using the Knight's Landings (KNL) partition of the Trinity system. The parallel performance of SPARC is explored on the Trinity system, as well as some of the other new architectures. Extracting data from the simulation shows good agreement with the experiment as well as a colleague's simulation. The data provide a guide for which a new model can be built for better prediction of the reentry random vibration loads.

42 ENGINEERING↗

Geothermal Deep Direct Use for Turbine Inlet Cooling in East Texas

The National Renewable Energy Laboratory (NREL), the Southern Methodist University Geothermal Laboratory (SMU), Eastman Chemical (Longview, TX), and TAS (Houston, TX) evaluated the feasibility of using geothermal heat to improve the performance of a natural-gas power plant in East Texas. The area of interest is the Eastman Chemical plant in Longview, Texas, which is on the northwestern margin of a geologic region known as the Sabine Uplift. The feasibility study focused on determining the potential for accessing a subsurface hot-water geothermal resource within a 10-km radius of the site to provide thermal energy for absorption chillers. Wells within a 20-km radius are included for broader geological comparison to determine the heat flow, temperature-at-depth, field porosity and permeability. The lithologies of most interest are the Lower Cretaceous Trinity Group and Upper Jurassic Cotton Valley Group. The deeper Cotton Valley formations are hotter (averaging 117 to 130°C), yet permeability and porosity are low. The shallower Trinity Group contains more variability in permeability and porosity and lower temperatures averaging about 98 to 117°C. The shallower formations are considered despite the lower temperature because of increased ability to produce larger volumes of water and extract enough heat before reinjection. The complete SMU analysis is available in the National Geothermal Data System (NGDS). Tapping such deep geothermal sources for direct heating (as opposed to power generation) is known as geothermal deep direct use (DDU). Geothermal DDU has potential across a wide swath of the United States but is underutilized due to challenging project economics associated with developing a deep geothermal resource for what are typically small-scale, variable-demand projects. This project examines the feasibility of geothermal energy integration in a natural-gas combined cycle power station in East Texas. The DDU resource is tapped to drive absorption chillers (24/7) for production of chilled water at 5-10°C (41-50°F). This chilled water is stored until needed, which allows for continuous operation with a relatively small-capacity geothermal/absorption chiller system. When conditions are favorable, the chilled water is dispatched to cool the air entering the compressor stage of a gas combustion turbine. This process, known as turbine inlet cooling (TIC), boosts power production during periods of high temperature and high-power demand. Such systems can enhance grid reliability and reduce the cost for peak-demand power. A simulation model of the power plant was developed in IPSEpro software and validated against operational data from the plant. This model allowed the team to estimate the additional power that could be produced by applying TIC under different operating and ambient conditions. Absorption chiller performance was estimated from vendor sources to determine the production rate of chilled water from the geothermal resource. Geothermal drilling and development costs were estimated using NREL's GEOPHIRES 2.0. The expected lower drilling costs in this region led to an estimated cost of geothermal heat of about $4/MMBtu (1.4 cents/kWh t ). The estimated cost for the absorption chillers and TIC hardware were obtained from literature sources and project partners. Hourly data were obtained for weather, natural gas and electricity prices, and plant operating state for 2017, which served as a representative year. NREL estimated the capital cost, operating cost, and additional electricity production and revenue for different combinations of geothermal capacity, chiller capacity, and water storage-tank size. The analysis drove toward smaller geothermal and chiller systems to reduce equipment cost. A relatively low-cost water storage tank accumulated the near-continuous chilled water output for later use when TIC was most valued.

15 GEOTHERMAL ENERGY↗

Hot Spots and Persistence of Nitrate in Aquifers Across Scales

Here, nitrate-N (NO 3 - - N) is one of the most pervasive contaminants in groundwater. Nitrate in groundwater exhibits long-term behavior due to complex interactions at multiple scales among various geophysical factors, such as sources of nitrate-N, characteristics of the vadose zone and aquifer attributes. To minimize contamination of nitrate-N in groundwater, it is important to estimate hot spots (>10 mg/L of NO 3 - - N), trends and persistence of nitrate-N in groundwater. To analyze the trends and persistence of nitrate-N in groundwater at multiple spatio-temporal scales, we developed and used an entropy-based method along with the Hurst exponent in two different hydrogeologic settings: The Trinity and Ogallala Aquifers in Texas at fine (2 km × 2 km), intermediate (10 km × 10 km) and coarse (100 km × 100 km) scales. Results show that nitrate-N exhibits long-term persistence at the intermediate and coarse scales. In the Trinity Aquifer, overall mean nitrate-N has declined with a slight increase in normalized marginal entropy (NME) over each decade from 1940 to 2008; however, the number of hot spots has increased over time. In the Ogallala Aquifer, overall mean nitrate-N has increased with slight moderation in NME since 1940; however, the number of hot spots has significantly decreased for the same period at all scales.

58 GEOSCIENCES↗

Maximizing the habitat restoration potential of controlled releases at hydropower dams; Understanding impacts of hydrograph form on sediment transport

Regulation of streamflow for hydropower often alters natural hydrographs, commonly reducing peak flows, increasing baseflows, and increasing ramping rates. Simultaneously, reservoirs typically trap sediment, reducing the supply to the reach downstream of the dam. These changes to the flow regime and sediment supply impact channel morphology and sediment transport processes in ways that reduce the diversity and suitability of instream habitat. A variety of restoration approaches have attempted to mitigate for some of these changes and a growing number include releases of high flows designed to mimic key characteristics of the pre-regulation hydrograph. One example is the Trinity River, CA, where the addition of augmentation gravel to the channel has been combined with high flows designed to restore portions of the pre-regulation hydrograph to improve channel conditions for spawning fish on the Trinity River, CA. Another example is the high-flow experiments on the Colorado River through the Grand Canyon that aim to restore eroding sand bars that not only provide habitat but camping for rafting groups. More projects that restore portions of the pre-regulation hydrograph are likely in the future because the Federal Energy Regulatory Commission (FERC) requires habitat mitigation efforts in the relicensing process for hydropower facilities. However, the outcomes of these costly restoration efforts are often hard to predict because little is known about how hydrograph form actually impacts channel morphology and bedload transport in rivers. Here we summarize the results of two flume experiments designed to investigate the impacts of hydrograph form on the morphology of a channel bar and bedload transport processes. The first experiment primarily investigated the impacts of hydrograph recession rate on the morphology of a channel-bar in a sand bed channel. Additional runs examined the combined effects of hydrograph recession and a dense patch of vegetation on bar form. The second flume experiment investigated bedload transport processes in an armored, gravel bed channel during hydrographs with varying form. It documented total bedload flux for a hydrograph, bedload flux rates, persistence of the coarse armor surface, and changes in bed surface structure. Both experiments observed links between hydrograph form and the resulting bar morphology or bedload transport processes, providing insight into ways that high flow hydrographs can be designed to better facilitate restoration goals downstream of hydropower facilities.

13 HYDRO ENERGY↗

Disk Failure Dataset from the Campaign Storage System

This dataset consists of 1,389 disk (HDD) failure events collected from the Campaign storage system at LANL. The Campaign system supported various compute platforms throughout its lifespan, including Cielo, Fire, Ice, and notably, the Trinity supercomputer. Each recorded event includes its detection timestamp (in ISO 8601 format) and details such as its location within the storage system—rack, enclosure, and drive slot number. The data, spanning from May 4, 2021, to July 25, 2023 (2 years, 2 months, and 22 days), represents failure events from the terminal years of Campaign's operational period, accounting for 26% of its total operational time.

97 MATHEMATICS AND COMPUTING↗

Big Data Just Got Bigger

The Trinity supercomputer broke a world record in how quickly they generated a trillion files. A Los Alamos National Laboratory scientist having trouble solving a stubborn research problem needed some help – his scientific simulations had generated a sea of data, but it took so long to search the data that he couldn’t find the information he needed. He found himself looking for the proverbial needle in a haystack. At the same time, the lab’s storage research team had been hard at work on another classic big data problem: creating massive numbers of files as quickly as possible. The day the team met with the scientist, you could say that Big Science and Big Data put their heads together – and now they’re making history.

97 MATHEMATICS AND COMPUTING↗

A geochemical approach to constraining the formation of glassy fallout debris from nuclear tests

Reprocessed earth material is a glassy nuclear fallout debris from near-surface nuclear tests. A geochemical approach to analysis of glassy fallout is uniquely suited to determine the means of reprocessing and shed light on the mechanisms of fallout formation. An improved understanding of fallout formation is of interest both for its potential to guide post-detonation nuclear forensic investigations and in the context of possible affinities between glassy debris and other glasses generated by high-energy natural events, such as meteorite impacts and lightning strikes. Our study presents a large major-element compositional dataset for glasses within aerodynamic fallout from the Trinity nuclear test (“trinitite”) and a geochemically based analysis of the glass compositional trends. Silica-rich and alkali-rich trinitite glasses show compositions and textures consistent with formation through melting of individual mineral grains—quartz and alkali feldspar, respectively—from the test-site sediment. Furthermore, the volumetrically dominant glass phase—called the CaMgFe glass—shows extreme major-element compositional variability. Compositional trends in the CaMgFe glass are most consistent with formation through volatility-controlled condensation from compositionally heterogeneous plasma. Radioactivity occurs only in CaMgFe glass, indicating that co-condensation of evaporated bulk ground material and trace device material was the main mechanism of radioisotope incorporation into trinitite. CaMgFe trinitite glasses overlap compositionally with basalts, rhyolites, fulgurites, tektites, and microtektites but display greater compositional diversity than all of these naturally formed glasses. Indeed, the most refractory CaMgFe glasses compositionally resemble early solar system condensates—specifically, CAIs.

58 GEOSCIENCES↗

Distribution of neptunium and plutonium in New Mexico lichen samples ( Usnea arizonica ) contaminated by atmospheric fallout

In this study, the concentrations of 237 Np, 239 Pu and 240 Pu were determined in lichen samples ( Usnea arizonica ) that were collected from ten locations in New Mexico between 2011 and 2013 using isotope dilution inductively-coupled plasma mass spectrometry (ID-ICP-MS). The observed isotopic ratios for 237 Np/ 239 Pu and 240 Pu/ 239 Pu indicate trace contamination from global and regional fallout (e.g. Trinity test and atmospheric testing at the Nevada Test Site). The fact that actinide contamination is detected in recent lichen collections suggests continuous re-suspension of fallout radionuclides even 50 years after ratification of the Limited Test Ban Treaty.

54 ENVIRONMENTAL SCIENCES↗

Qualifying for the Green500: Experience with the newest generation of supercomputers at LANL

The High Performance Computing Division of Los Alamos National Laboratory recently brought four new supercomputing platforms on line: Trinity with separate partitions built around the Haswell and Knights Landing CPU architectures for capability computing and Grizzly, Fire, and Ice for capacity computing applications. The power monitoring infrastructure of these machines is significantly enhanced over previous supercomputing generations at LANL and all were qualified at the highest level of the Green500 benchmark. Here, this paper discusses supercomputing at LANL, the Green500 benchmark, and notes on our experience meeting the Green500's reporting requirements.

97 MATHEMATICS AND COMPUTING↗

Recent Advances in Nuclear Forensic Chemistry

Nuclear forensics is a rapidly growing field with a widespread impact on global nonproliferation. From the beginning, nuclear forensic capabilities have been inextricably bound to existing limitations within chemistry and materials science. As nuclear forensics has continued to develop as a unique field of research, new advances in chemistry have revolutionized our ability to rapidly and quantitatively analyze radioactive materials for attribution. In particular, microanalytical techniques originally developed for nanoscience, such as micro-XRF, SIMS, and SEM-EDX, have enabled spatially resolved chemical analyses to be performed with only nanograms of material. Such techniques have redefined the paradigm for pre- and postdetonation nuclear forensics, as large quantities of material are no longer necessary for full characterization and attribution. This Review explains how modern nuclear forensic techniques have developed from their origins in chemistry and provides real-world examples of how these techniques have been used to characterize radioactive materials, including fallout from nuclear detonations such as the 1945 Trinity test.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗