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At least 1,063 records · Page 59

Operational Modes of a 2.0 MWth Chloride Molten-Salt Pilot-Scale System

The limit of traditional solar-salt thermal stability is around 600 °C with ambient air as the cover gas. Nitrate molten salt concentrating solar power (CSP) systems are currently deployed globally and are considered to be state-of the art heat transfer fluids (HTFs) for present day high-temperature operation. However, decomposition challenges occur with these salts for operation beyond 600 C. Although slightly higher limits may be possible with solar salt, to fully realize SunShot efficiency goals of $15/kWhth HTFs and an LCOE of 6¢/kWh, molten-salt technologies working at higher temperatures (e.g., 650 °C to 750 °C) will require an alternative salt chemistry composition, such as chlorides. In this investigation a 2.0MWth Pilot-scale CSP plant design is developed to assess thermodynamic performance potential for operation up to 720 C. Here, an Engineering Equation Solver (EES) model is developed with respect to 14 state-points from the base of a solar tower at the Sandia National Laboratories, National Solar Thermal Test Facility (NSTTF), to solar receiver mounted 120 ft. above the ground. The system design considers a ternary chloride ternary chloride (20%NaCl/40%MgCl/40%KCl by mol%) salt as the HTF, with 6 hrs. of storage and a 1 MWth primary salt to sCO2 heat exchanger. Preliminary system modelling results indicate a minimum non-dimensional Cv of 60 required for both cold and hot-side throttle recirculation valves for the operational pump operating between speeds of 1800 and 2400 RPM. Further receiver comparison study results suggest that the ternary salt requires an average 15.2% higher receiver flux with a slightly lower calculated receiver efficiency when compared to a binary carnelite salt to achieve a 2.0 MWth desired input power design.

associated liquids↗

On Galilean invariance of mean kinetic helicity

While kinetic helicity is not Galilean invariant locally, it is known [Moffatt, J. Fluid Mech. 35, 117 (1969)] that its spatial integral quantifies the degree of knottedness of vorticity field lines. Being a topological property of the flow, mean kinetic helicity is Galilean invariant. Here, we provide a direct mathematical proof that kinetic helicity is Galilean invariant when spatially integrated over regions enclosed by vorticity surfaces, i.e., surfaces of zero vorticity flux. Here, we also discuss so-called relative kinetic helicity, which is Galilean invariant when integrated over any region in the flow.

42 ENGINEERING↗

Investigation of kinetic inductance and microwave loss in thin-film TaC x N 1−x superconducting resonators

The promise of tantalum for realizing superconducting quantum devices has generated interest in its compound films, particularly nitrides. Among these, cubic-phase tantalum carbonitride (TaC x N 1−x ) offers reduced susceptibility to oxidation and a high critical temperature, yet its microwave properties remain largely unexplored. Here, in this study, we investigate plasma-enhanced atomic layer deposition of cubic-phase TaC x N 1−x thin films for superconducting microwave circuits. Structural and transport measurements reveal nanocrystalline morphology with sub-10 nm grains and superconductivity in the dirty limit. Coplanar waveguide resonators exhibit moderately high kinetic inductance (16.8 pH/sq for 30 nm films) with potential for enhancement through dimensional scaling. The films also support high internal quality factors exceeding 10 5 at 50 mK in the single-photon regime, comparable to granular aluminum. Loss analysis identifies the two-level systems as the dominant limiting mechanism, with potential for further reduction through interface engineering. These results establish atomic layer deposited TaC x N 1−x as a promising material for scalable, low-loss, high-inductance superconducting circuits.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Persistent polyamorphism in the chiton tooth: From a new biomineral to inks for additive manufacturing

Engineering structures that bridge between elements with disparate mechanical properties are a significant challenge. Organisms reap synergy by creating complex shapes that are intricately graded. For instance, the wear-resistant cusp of the chiton radula tooth works in concert with progressively softer microarchitectural units as the mollusk grazes on and erodes rock. Herein, we focus on the stylus that connects the ultrahard and stiff tooth head to the flexible radula membrane. Using techniques that are especially suited to probe the rich chemistry of iron at high spatial resolution, in particular synchrotron Mössbauer and X-ray absorption spectroscopy, we find that the upper stylus of Cryptochiton stelleri is in fact a mineralized tissue. Remarkably, the inorganic phase is nano disperse santabarbaraite, an amorphous ferric hydroxyphosphate that has not been observed as a biomineral. The presence of two persistent polyamorphic phases, amorphous ferric phosphate and santabarbaraite, in close proximity, is a unique aspect that demonstrates the level of control over phase transformations in C. stelleri dentition. The stylus is a highly graded material in that its mineral content and mechanical properties vary by a factor of 3 to 8 over distances of a few hundred micrometers, seamlessly bridging between the soft radula and the hard tooth head. Furthermore, the use of amorphous phases that are low in iron and high in water content may be key to increasing the specific strength of the stylus. Finally, we show that we can distill these insights into design criteria for inks for additive manufacturing of highly tunable chitosan-based composites.

36 MATERIALS SCIENCE↗

Hyperspectral interference tomography of nacre

Significance We invented an optical technique—hyperspectral interference tomography—that rapidly and nondestructively extracts nanoscale structural information across large samples of nacre (mother-of-pearl) and other layered materials by combining multiangle and polarization-resolved hyperspectral imaging with optical-interference modeling. We investigated nacre in mollusk shells from two different species, red abalone and rainbow abalone, and discovered a previously unknown relationship between the age of the mollusk and the thickness of aragonite tablets in nacre. Hyperspectral interference tomography will have applications in climate science, since nacre tablet thickness in fossil shells is a proxy for ancient seawater temperature, and in bioinspired mechanics, because the layered structure of nacre inspires engineered materials with exceptional strength and toughness.

47 OTHER INSTRUMENTATION↗

Construction status of the Mu2e crystal calorimeter

The Mu2e experiment at Fermilab will search for the charged-lepton flavor violating neutrino-less conversion of a negative muon into an electron in the field of an aluminum nucleus. The Mu2e detector is composed of a tracker, an electromagnetic calorimeter and an external veto for cosmic rays. The calorimeter plays an important role in providing excellent particle identification capabilities and a fast online trigger filter, while aiding the track reconstruction capabilities. Calorimeter requirements are to provide a large acceptance for 0~10 MeV electrons and reach: i) a time resolution better than 0.5 ns; ii) an energy resolution better than 10%; and iii) a position resolution of 1 cm. The calorimeter consists of two disks, each one made of 674 pure CsI crystals. Each crystal is readout by two large area 2×3 arrays of UV-extended SiPMs of 6×6 mm2 dimensions. A large scale prototype (Module-0) has been tested at an electron beam. We report here the tests done to finalize the calorimeter design, the results obtained with Module-0 and the status of production. At this time, the performance characteristics of 85% of the crystals and all of the SiPMs have been measured. The calorimeter engineering drawings have been completed and the large mechanical components are under fabrication. Analog and digital electronics have been prototyped and tested with irradiation dose. Their serial production is being organized. The calorimeter assembly phase is planned for mid-2020.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Numerical Investigation of a Central Fuel Property Hypothesis Under Boosted Spark-Ignition Conditions

In the present work, a central fuel property hypothesis (CFPH), which states that fuel properties are sufficient to provide an indication of a fuel’s performance irrespective of its chemical composition, was numerically investigated. In particular, the objective of the study was to determine whether Research Octane Number (RON) and Motor Octane Number (MON), as fuel properties, are sufficient to describe a fuel’s knock-limited performance under boosted spark-ignition (SI) conditions within the framework of CFPH. To this end, four TPRF-bioblendstock surrogates having different compositions but matched RON (=98) and MON (=90), were first generated using a non-linear regression model based on artificial neural network (ANN). Additionally, three unconventional bioblendstocks were included in the analysis: di-isobutylene (DIB), isobutanol, and Anisole. Skeletal reaction mechanisms were generated for the TPRF-DIB, TPRF-isobutanol, and TPRF-anisole blends from a detailed kinetic mechanism. Thereafter, numerical simulations were performed for the fuel surrogates using the skeletal mechanisms and a virtual cooperative fuel research (CFR) engine model, under a representative boosted operating condition. In the computational fluid dynamics (CFD) model, the G-equation approach was employed to track the turbulent flame front and the well-stirred reactor model combined with the multi-zone binning strategy was used to capture auto-ignition in the end-gas. In addition, laminar flame speed (LFS) was tabulated for each blend as a function of pressure, temperature, and equivalence ratio a priori, and the lookup tables were used to prescribe laminar flame speed as an input to the G-equation model. Parametric spark timing sweeps were performed for each fuel blend to determine the corresponding knock-limited spark advance (KLSA) and 50% burn point (CA50) at the respective KLSA timing. It was observed that despite same RON, MON, and engine operating conditions, the TPRF-anisole blend exhibited markedly different knock-limited performance from the other three blends. This deviation from the octane index (OI) expectation was shown to be caused by differences in laminar flame speed. However, it was found that relatively large fuel-specific differences in LFS (>20%) would have to be present to cause any appreciable deviation from the OI framework. Otherwise, RON and MON would still be robust enough to predict a fuel’s knock-limited performance.

42 ENGINEERING↗

Numerical Investigation of a Central Fuel Property Hypothesis under Boosted Spark-ignition Conditions

In the present work, a central fuel property hypothesis (CFPH), which states that fuel properties are sufficient to provide an indication of a fuel's performance irrespective of its chemical composition, was numerically investigated In particular, the objective of the study was to determine whether Research Octane Number (RON) and Motor Octane Number (MON), as fuel properties, are sufficient to describe a fuel's knock-limited performance under boosted spark-ignition (SI) conditions within the framework of CFPH. To this end, four TPRF-bioblendstock surrogates having different compositions but matched RON (= 98) and MON (= 90), were first generated using a non-linear regression model based on artificial neural network (ANN). Three unconventional bioblendstocks were included in the analysis: Di-isobutylene (DIB), Isobutanol and Anisole. Skeletal reaction mechanisms were generated for the TPRF-DIB, TPRF-isobutanol and TPRF-anisole blends from a detailed kinetic mechanism. Thereafter, numerical simulations were performed for the fuel surrogates using the skeletal mechanisms and a virtual cooperative fuel research (CFR) engine model, under a representative boosted operating condition. In the computational fluid dynamics (CFD) model, the G-equation approach was employed to track the turbulent flame front and the well-stirred reactor model combined with multi-zone binning strategy was used to capture auto-ignition in the end-gas. In addition, laminar flame speed was tabulated for each blend as a function of pressure, temperature and equivalence ratio a priori, and the lookup tables were used to prescribe laminar flame speed as an input to the G-equation model. Parametric spark timing sweeps were performed for each fuel blend to determine the corresponding knock-limited spark advance (KLSA) and 50% burn point (CA50) at the respective KLSA timing. It was observed that despite same RON, MON and engine operating conditions, the TPRF-Anisole blend exhibited markedly different knock-limited performance from the other three blends. This deviation from the octane index (DI) expectation was shown to be caused by differences in laminar flame speed (LFS). However; it was found that relatively large fuel-specific differences in LFS (> 20%) would have to be present to cause any appreciable deviation from the 01 framework. Otherwise, RON and MON would still be robust enough to predict a fuel's knock-limited performance.

Pal, Pinaki↗

Carbon isotope evidence for the global physiology of Proterozoic cyanobacteria

Ancestral cyanobacteria are assumed to be prominent primary producers after the Great Oxidation Event [≈2.4 to 2.0 billion years (Ga) ago], but carbon isotope fractionation by extant marine cyanobacteria (α-cyanobacteria) is inconsistent with isotopic records of carbon fixation by primary producers in the mid-Proterozoic eon (1.8 to 1.0 Ga ago). To resolve this disagreement, we quantified carbon isotope fractionation by a wild-type planktic β-cyanobacterium (Synechococcus sp. PCC 7002), an engineered Proterozoic analog lacking a CO 2 -concentrating mechanism, and cyanobacterial mats. At mid-Proterozoic pH and pCO 2 values, carbon isotope fractionation by the wild-type β-cyanobacterium is fully consistent with the Proterozoic carbon isotope record, suggesting that cyanobacteria with CO 2 -concentrating mechanisms were apparently the major primary producers in the pelagic Proterozoic ocean, despite atmospheric CO 2 levels up to 100 times modern. The selectively permeable microcompartments central to cyanobacterial CO 2 -concentrating mechanisms (“carboxysomes”) likely emerged to shield rubisco from O 2 during the Great Oxidation Event.

59 BASIC BIOLOGICAL SCIENCES↗

Subsurface Characterization and Machine Learning Predictions at Brady Hot Springs Results

Geothermal power plants typically show decreasing heat and power production rates over time. Mitigation strategies include optimizing the management of existing wells - increasing or decreasing the fluid flow rates across the wells - and drilling new wells at appropriate locations. The latter is expensive, time-consuming, and subject to many engineering constraints, but the former is a viable mechanism for periodic adjustment of the available fluid allocations. Data and supporting literature from a study describing a new approach combining reservoir modeling and machine learning to produce models that enable strategies for the mitigation of decreased heat and power production rates over time for geothermal power plants. The computational approach used enables translation of sets of potential flow rates for the active wells into reservoir-wide estimates of produced energy and discovery of optimal flow allocations among the studied sets. In our computational experiments, we utilize collections of simulations for a specific reservoir (which capture subsurface characterization and realize history matching) along with machine learning models that predict temperature and pressure timeseries for production wells. We evaluate this approach using an "open-source" reservoir we have constructed that captures many of the characteristics of Brady Hot Springs, a commercially operational geothermal field in Nevada, USA. Selected results from a reservoir model of Brady Hot Springs itself are presented to show successful application to an existing system. In both cases, energy predictions prove to be highly accurate: all observed prediction errors do not exceed 3.68% for temperatures and 4.75% for pressures. In a cumulative energy estimation, we observe prediction errors that are less than 4.04%. A typical reservoir simulation for Brady Hot Springs completes in approximately 4 hours, whereas our machine learning models yield accurate 20-year predictions for temperatures, pressures, and produced energy in 0.9 seconds. This paper aims to demonstrate how the models and techniques from our study can be applied to achieve rapid exploration of controlled parameters and optimization of other geothermal reservoirs. Includes a synthetic, yet realistic, model of a geothermal reservoir, referred to as open-source reservoir (OSR). OSR is a 10-well (4 injection wells and 6 production wells) system that resembles Brady Hot Springs (a commercially operational geothermal field in Nevada, USA) at a high level but has a number of sufficiently modified characteristics (which renders any possible similarity between specific characteristics like temperatures and pressures as purely random). We study OSR through CMG simulations with a wide range of flow allocation scenarios. Includes a dataset with 101 simulated scenarios that cover the period of time between 2020 and 2040 and a link to the published paper about this project, where we focus on the Machine Learning work for predicting OSR's energy production based on the simulation data, as well as a link to the GitHub repository where we have published the code we have developed (please refer to the repository's readme file to see instructions on how to run the code). Additional links are included to associated work led by the USGS to identify geologic factors associated with well productivity in geothermal fields. Below are the high-level steps for applying the same modeling + ML process to other geothermal reservoirs: 1. Develop a geologic model of the geothermal field. The location of faults, upflow zones, aquifers, etc. need to be accounted for as accurately as possible 2. The geologic model needs to be converted to a reservoir model that can be used in a reservoir simulator, such as, for instance, CMG STARS, TETRAD, or FALCON 3. Using native state modeling, the initial temperature and pressure distributions are evaluated, and they become the initial conditions for dynamic reservoir simulations 4....

15 GEOTHERMAL ENERGY↗

Thermionic emission and energy conversion

This project worked on development of a transformative heat-to-electricity conversion device based on thermionic energy conversion. The research provided a unique opportunity to transform the thermionics technology of the 1950-1990s by applying modern materials and 21st century wafer-scale fabrication methods. Research was conducted to further development of a thermionic energy converter based on modern microfabrication and new low work function anode materials that can surpass all other forms of direct heat-to-electricity conversion. This project completed the following goals: (1) Developed components for use in thermionic energy converters and electron emission devices, including electrode materials for electron emission and electron absorption with ultimate work functions below 5 eV; (2) Designed and fabricated thermionic devices for energy conversion and electron emission based on the components developed in (1); (3) Engineered test systems to characterize electronic, thermal, and mechanical properties of thermionic devices and electron emitters and their components, and test devices and components designed and fabricated in (1) and (2); and (4) Developed theoretical modeling capabilities in support of these technical objectives.

36 MATERIALS SCIENCE↗

Dispersion Validation for Flow Involving a Large Structure Revisited: 45 Degree Rotation

The atmospheric dispersion of contaminants in the wake of a large urban structure is a challenging fluid mechanics problem of interest to the scientific and engineering communities. Magnetic Resonance Velocimetry (MRV) and Magnetic Resonance Concentration (MRC) are relatively new techniques that leverage diagnostic equipment used primarily by the medical field to make 3D engineering measurements of flow and contaminant dispersal. SIERRA/Fuego, a computational fluid dynamics (CFD) code at Sandia National Labs is employed to make detailed comparisons to the dataset to evaluate the quantitative and qualitative accuracy of the model. This work is the second in a series of scenarios. In the prior work, a single large building in an array of similar buildings was considered with the wind perpendicular to a building face. In this work, the geometry is rotated by 45 degrees and improved studies are performed for simulation credibility. The comparison exercise shows conditionally good comparisons between the model and experiment. Model uncertainties are assessed through parametric variations. Various methods of quantifying the accuracy between experiments and data are examined Three-dimensional analysis of accuracy is performed. The effort helped identify deficiencies in the techniques used to make these comparisons, and further methods development therefore becomes one of the main recommendations for follow-on work.

42 ENGINEERING↗

Comprehensive Material Characterization and Simultaneous Model Calibration for Improved Computational Simulation Credibility

Computational simulation is increasingly relied upon for high-consequence engineering decisions, and a foundational element to solid mechanics simulations is a credible material model. Our ultimate vision is to interlace material characterization and model calibration in a real-time feedback loop, where the current model calibration results will drive the experiment to load regimes that add the most useful information to reduce parameter uncertainty. The current work investigated one key step to this Interlaced Characterization and Calibration (ICC) paradigm, using a finite load-path tree to incorporate history/path dependency of nonlinear material models into a network of surrogate models that replace computationally-expensive finite-element analyses. Our reference simulation was an elastoplastic material point subject to biaxial deformation with a Hill anisotropic yield criterion. Training data was generated using either a space-filling or adaptive sampling method, and surrogates were built using either Gaussian process or polynomial chaos expansion methods. Surrogate error was evaluated to be on the order of 10 ⁻5 and 10 ⁻3 percent for the space-filling and adaptive sampling training data, respectively. Direct Bayesian inference was performed with the surrogate network and with the reference material point simulator, and results agreed to within 3 significant figures for the mean parameter values, with a reduction in computational cost over 5 orders of magnitude. These results bought down risk regarding the surrogate network and facilitated a successful FY22-24 full LDRD proposal to research and develop the complete ICC paradigm.

36 MATERIALS SCIENCE↗

Oxygenated Fuel Blending Effects in a Mixing-Controlled Compression-Ignition Engine Equipped with Ducted Fuel Injection [Slides]

Continued creation of harmful emissions such as NO x and soot from compression-ignition engines utilizing mixing-controlled combustion systems (i.e., diesel engines) remains a problem and is the subject of on-going research. The inherently high efficiency, relatively low cost, and numerous other desirable attributes of such engines, coupled with a widely supported infrastructure, motivates their continued advancement. Recently, a scientifically distinct and mechanically simple technology called ducted fuel injection (DFI) has shown a robust ability to allow such engines to operate with simultaneously low engine-out soot and NO x emissions when it is employed with simulated exhaust-gas recirculation. To better understand the property ranges of sustainable, oxygenated-fuel blending stocks that will most improve engine performance, two oxygenated blendstocks were separately blended with a commercial diesel base fuel and tested within a heavy-duty diesel optical engine equipped with a four-duct DFI configuration. Conventional and crank-angle-resolved optical diagnostics were used to elucidate the effects of fuel ignition quality, oxygenate molecular structure, and overall oxygen content on engine performance.

33 ADVANCED PROPULSION SYSTEMS↗

Automated Credibility Assessments of User Features in Scientific Software

Scientific software (SciSoft) is complex, often containing a mixture of production capabilities co-mingled with features under active research and development. Furthermore, SciSoft is often developed over decades by non-computer scientists who may not have a strong background in or prioritize software architecture design, testing, and quality (e.g., test coverage). These conditions lead to difficulty in understanding which software components or functions implement what user-facing features and therefore those features’ software quality pedigree. This lack of understanding poses challenges in assessing readiness and credibility of user features, and often relies on a SciSoft subject matter expert’s (SME) laborious investigation and assertion. This final report of a one-year Computing and Information Sciences Lab Directed Research and Development project presents a general framework for modeling SciSoft architecture as a direct relationship between user features and the software components/functions that implement them. Our approach leverages automated labeling of the SciSoft’s regression test suite and employs machine learning algorithms to construct the architecture model. We demonstrate this framework on the Solid Mechanics component of the SIERRA multi-physics engineering analysis suite developed at Sandia National Laboratories.

97 MATHEMATICS AND COMPUTING↗

Advanced Energy Storage for Extreme Conditions (AESTEC) (Abbreviated Final Report)

This project developed a new capability for designing and fabricating energy storage devices that function in extreme conditions detrimental to conventional devices (e.g. temperature, mechanical stress, etc.). This new toolset tackled critical phenomenological challenges which led to materials and designs that enable high performance energy storage in conditions relevant to national security missions and the broader energy storage community.

25 ENERGY STORAGE↗