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At least 55 records · Page 3

The information content of jet quenching and machine learning assisted observable design

Jets produced in high-energy heavy-ion collisions are modified compared to those in proton-proton collisions due to their interaction with the deconfined, strongly-coupled quark-gluon plasma (QGP). In this work, we employ machine learning techniques to identify important features that distinguish jets produced in heavy-ion collisions from jets produced in proton-proton collisions. We formulate the problem using binary classification and focus on leveraging machine learning in ways that inform theoretical calculations of jet modification: (i) we quantify the information content in terms of Infrared Collinear (IRC)-safety and in terms of hard vs. soft emissions, (ii) we identify optimally discriminating observables that are in principle calculable in perturbative QCD, and (iii) we assess the information loss due to the heavy-ion underlying event and background subtraction algorithms. We illustrate our methodology using Monte Carlo event generators, where we find that important information about jet quenching is contained not only in hard splittings but also in soft emissions and IRC-unsafe physics inside the jet. This information appears to be significantly reduced by the presence of the underlying event. We discuss the implications of this for the prospect of using jet quenching to extract properties of the QGP. Since the training labels are exactly known, this methodology can be used directly on experimental data without reliance on modeling. We outline a proposal for how such an experimental analysis can be carried out, and how it can guide future measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Exploring Decarbonization and Clean Energy Pathways for Disadvantaged Communities in California

California has a state-wide goal of carbon neutrality by 2045. Decarbonization for disadvantaged communities (DACs) poses extra challenges due to financial, informational, language, and other barriers. This paper presents the methodology, results, and analysis of energy efficiency measures (EEMs) to save energy, reduce CO 2 emission, and promote clean energy access at the district scale for two DACs in Fresno, California. The methods are broadly applicable to other neighborhoods across the U.S. 22 EEMs were identified and modelled for all residential buildings in the two DACs both individually and as packages. Results show that for energy and CO 2 reduction purposes, the top performing EEM package can decrease energy use and CO 2 emissions by an average of 60%. For electrification, heat pump water heaters are a viable solution, coupled with air source or mini-split heat pumps. Replacing gasoline vehicles with electric vehicles is another important measure in electrification and reducing GHG emissions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Recent advances in LPE GaAs-based solar cells

Several modifications were made to an infinite solution liquid phase epitaxy system that help fabricate both GaAs-based cells and thin cells that effectively reduce power-to-weight ratio for space applications. The most important development is the multiwell crucible for multilayer growth. Using a split crucible in one system, as many as five layers were grown in succession with varying Al levels and dopants. The structures grown were used to produce thin GaAs cells only 10 to 20 microns thick and also to grow cascade cell components. Results of these studies are presented and their applications to the future development of GaAs-based cells are discussed.

Kamath, G. S.↗

Effects of random forest modeling decisions on biogeochemical time series predictions

Abstract Random forests (RF) are an increasingly popular machine learning approach used to model biogeochemical processes in the Earth system. While RF models are robust to many assumptions that complicate deterministic models, there are several important parameterization decisions for appropriate use and optimal model fit. We explored the role that parameter decisions, including training/testing data splitting strategies, variable selection, and hyperparameters play on RF goodness‐of‐fit by constructing models using 1296 unique parameter combinations to predict concentrations of nitrate, a key nutrient for biogeochemical cycling in aquatic ecosystems. Models were built on long‐term, publicly available water quality and meteorology time series collected by the National Estuarine Research Reserve monitoring network for two contrasting ecosystems representing freshwater and brackish estuaries. We found that accounting for temporal dependence when splitting data into training and testing subsets was key for avoiding over‐estimation of model predictive power. In addition, variable selection, the ratio of training to testing data, and to a lesser degree, variables per split and number of trees, were significant parameters for optimizing RF goodness‐of‐fit. We also explored how model parameter decisions influenced interpretation of the relative importance of predictors to the model, and model predictor‐dependent variable relationships, with results suggesting that both data structure and model parameterization influence these factors. Because much of the current RF literature is written for the computational and statistical science communities, the primary goal of this study is to provide guidelines for aquatic scientists new to machine learning to apply RF techniques appropriately to aquatic biogeochemical datasets.

54 ENVIRONMENTAL SCIENCES↗

Mobile terminal equipment design utilising split-loop phase-lock techniques

The design and resultant performance of the terminal equipment in a mobile satellite system is vitally important in respect to the overall cost/performance compromise of the whole system. Improvements in system performance which also result in a reduction of the equipment cost are rare. However, this paper details a significant advance in terminal design, utilizing a novel form of 'split-loop' phase locked receiver/downconverter system to enable an accurate, stable and wide coverage terminal to be realized at a reduced cost. The system has the capability of automatically locking onto any carrier within a complete transponder, and can cope with severe amplitude modulation and fading effects.

Kenington, P. B.↗

Development of new flux splitting schemes

Maximizing both accuracy and efficiency has been the primary objective in designing a numerical algorithm for CFD. This is especially important for solution of complex three-dimensional systems of Navier-Stokes equations which often include turbulence modeling and chemistry effects. Recently, upwind schemes have been well received for both their capability of resolving discontinuities and their sound theoretical basis in characteristic theory for hyperbolic systems. With this in mind, two new flux splitting techniques are presented for upwind differencing.

Liou, MENG-S.↗

Compositionally Complex Alloys: Some Insights from Photoemission Spectroscopy

Photoemission spectroscopy (PES) is an underrepresented part of current and past studies of compositionally complex alloys (CCA) such as high-entropy alloys (HEA) and their derivatives. PES studies are very important for understanding the electronic structure of materials, and are therefore essential in some cases for a correct description of the intrinsic properties of CCAs. Here, we present several examples showing the importance of PES. First, we show how the difference between the split-band structure and the common-band structure of the valence band (VB), observed by PES, can explain a range of properties of CCAs and alloys in general. A simple description of the band crossing in CCAs composed from the early and late transition metals showing a split band is discussed. We also demonstrate how a high-accuracy PES study can determine the variation in the density of states at the Fermi level as a function of Cu content in Ti-Zr-Nb-Ni-Cu metallic glasses. Finally, the first results of an attempt to single out the contributions of particular constituents in Cantor-type alloys to their VBs are presented. The basic principles of PES, the techniques employed in studies presented, and some issues associated with PES measurements are also described.

36 MATERIALS SCIENCE↗

Microcracking, microcrack-induced delamination, and longitudinal splitting of advanced composite structures

A combined analytical and experimental study was conducted to analyze microcracking, microcrack-induced delamination, and longitudinal splitting in polymer matrix composites. Strain energy release rates, calculated by a variational analysis, were used in a failure criterion to predict microcracking. Predictions and test results were compared for static, fatigue, and cyclic thermal loading. The longitudinal splitting analysis accounted for the effects of fiber bridging. Test data are analyzed and compared for longitudinal splitting and delamination under mixed-mode loading. This study emphasizes the importance of using fracture mechanics analyses to understand the complex failure processes that govern composite strength and life.

Nairn, John A.↗

Human Exploration of Mars: The Reference Mission of the NASA Mars Exploration Study Team

The Reference Mission was developed over a period of several years and was published in NASA Special Publication 6107 in July 1997. The purpose of the Reference Mission was to provide a workable model for the human exploration of Mars, which is described in enough detail that alternative strategies and implementations can be compared and evaluated. NASA is continuing to develop the Reference Mission and expects to update this report in the near future. It was the purpose of the Reference Mission to develop scenarios based on the needs of scientists and explorers who want to conduct research on Mars; however, more work on the surface-mission aspects of the Reference Mission is required and is getting under way. Some aspects of the Reference Mission that are important for the consideration of the surface mission definition include: (1) a split mission strategy, which arrives at the surface two years before the arrival of the first crew; (2) three missions to the outpost site over a 6-year period; (3) a plant capable of producing rocket propellant for lifting off Mars and caches of water, O, and inert gases for the life-support system; (4) a hybrid physico-chemical/bioregenerative life-support system, which emphasizes the bioregenerative system more in later parts of the scenario; (5) a nuclear reactor power supply, which provides enough power for all operations, including the operation of a bioregenerative life-support system as well as the propellant and consumable plant; (6) capability for at least two people to be outside the habitat each day of the surface stay; (7) telerobotic and human-operated transportation vehicles, including a pressurized rover capable of supporting trips of several days' duration from the habitat; (7) crew stay times of 500 days on the surface, with six-person crews; and (8) multiple functional redundancies to reduce risks to the crews on the surface. New concepts are being sought that would reduce the overall cost for this exploration program and reducing the risks that are indigenous to Mars exploration. Among those areas being explored are alternative space propulsion approaches, solar vs. nuclear power, and reductions in the size of crews.

Connolly, John↗

The Precambrian Biogeochemical Carbon Isotopic Record: Contributions of Thermal Versus Biological Processes

Superplumes offer a new approach for understanding global C cycles. Isotopes help to discern the impacts of geological, environmental and biological processes ujpun the evolution of these cycles. For example, C-13/C-12 values of coeval sedimentary organics and carbonates give global estimates of the fraction of C buried as organics (Forg), which today lies near 0.2. Before Oxygenic photosynthesis arose, our biosphere obtained reducing power for biosynthesis solely from thermal volatiles and rock alteration. Thus Forg was dominated by the mantle redox state, which has remained remarkably constant for greater than Gy. Recent data confirm that the long-term change in Forg had been small, indicating that the mantle redox buffer remains important even today. Oxygenic photosynthesis enabled life to obtain additional reducing power by splitting the water molecule. Accordingly, biological organic production rose above the level constrained by the mantle-derived flux of reduced species. For example, today, chemoautotrophs harvesting energy from hydrothermal emanations can synthesize at most between 0.2 x 10(exp 12) and 2x 10(exp 12) mol C yr-1 of organic C globally. In contrast, global photosynthetic productivity is estimated at 9000 x 10(exp 12) mol C yr-1. Occasionally photosynthetic productivity did contribute to dramatically -elevated Forg values (to 0.4 or more) as evidenced by very high carbonate C-13/C-12. The interplay between biological, tectonic and other environmental factors is illustrated by the mid-Archean to mid-Proterozoic isotopic record. The relatively constant C-13/C-12 values of Archean carbonates support the view that photosynthetically-driven Forg increases were not yet possible. In contrast, major excursions in C-13/C-12, and thus also in Forg, during the early Proterozoic confirmed the global importance of oxygenic photosynthesis by that time. Remarkably, the superplume event at 1.9 Ga did not trigger another major Forg increase, despite the favorable conditions for organic burial that were evidenced by elevated sea levels and higher black shale abundances. Perhaps those superplume-rated processes that favored enhanced organic burial were offset by the ability of mantle-derived redox buffering, which was enhanced during the superplume event, to limit excursions in Forg.

DesMarais, David J.↗

Proton-Conducting Ceramic Electrolyzers for High-Temperature Water Splitting

This project is centered on an exciting new class of proton-conducting ceramic materials that are emerging from the laboratory to play important roles in the commercial sector. While proton-conducting ceramics have been studied since the early 1980s, the unique properties of these materials are only now being harnessed to address societal challenges. The objective of this project is to develop advanced high-temperature water splitting (HTWS) systems for production of hydrogen at a cost less than $2 / kg H2. The specific objectives include development of efficient and durable electrolytic cells and stacks using innovative proton-conducting ceramic materials and operating at a temperature ≥ 500°C. The technical performance targets for the electrolysis stack include: specific resistance of ≤ 0.30 Ω cm 2 , stack electrical efficiency > 95% LHV H2 with current density > 1 A / cm 2 , and a projected stack lifetime of ≥ 7 years. In this program, FuelCell Energy (FCE) teamed with Colorado School of Mines (CSM) to deliver a novel protonic-ceramic electrolysis cell (PCEC) stack capable of producing over 1 kg H2 / day. These targets were demonstrated in an HTWS stack with a capacity for producing ≥1 kg H2 / day.

08 HYDROGEN↗

Convergence analysis of single rate and multirate fixed stress split iterative coupling schemes in heterogeneous poroelastic media

Recently, the accurate modeling of flow–structure interactions has gained more attention and importance for both petroleum and environmental engineering applications. Of particular interest is the coupling between subsurface flow and reservoir geomechanics. Different single rate and multirate iterative and explicit coupling schemes have been proposed and analyzed in the past. In addition, Banach fixed point contraction results were obtained for iterative coupling schemes, and conditionally stable results were obtained for explicit coupling schemes. In this work, we will consider the mathematical analysis of the single rate and multirate fixed stress split iterative coupling schemes for spatially heterogeneous poroelastic media. We will re–establish the contractivity for both schemes in the localized case, and we will show that heterogeneities come at the expense of imposing more restricted conditions on the number of fine flow time steps that can be taken within one coarse mechanics time step in the multirate case. Our mathematical analysis is supplemented by numerical simulations validating our derived upper bounds. Finally, to the best of our knowledge, this is the first rigorous mathematical analysis of the multirate fixed–stress split iterative coupling scheme in heterogeneous poroelastic media.

97 MATHEMATICS AND COMPUTING↗

Development of new flux splitting schemes

Maximizing both accuracy and efficiency has been the primary objective in designing a numerical algorithm for computational fluid dynamics (CFD). This is especially important for solutions of complex three dimensional systems of Navier-Stokes equations which often include turbulence modeling and chemistry effects. Recently, upwind schemes have been well received for their capability in resolving discontinuities. With this in mind, presented are two new flux splitting techniques for upwind differencing. The first method is based on High-Order Polynomial Expansions (HOPE) of the mass flux vector. The second new flux splitting is based on the Advection Upwind Splitting Method (AUSM). The calculation of the hypersonic conical flow demonstrates the accuracy of the splitting in resolving the flow in the presence of strong gradients. A second series of tests involving the two dimensional inviscid flow over a NACA 0012 airfoil demonstrates the ability of the AUSM to resolve the shock discontinuity at transonic speed. A third case calculates a series of supersonic flows over a circular cylinder. Finally, the fourth case deals with tests of a two dimensional shock wave/boundary layer interaction.

Liou, Meng-Sing↗

Thermokinetics of point defects in α-Fe 2 O 3

Abstract Point defect formation and migration in oxides governs a wide range of phenomena from corrosion kinetics and radiation damage evolution to electronic properties. In this study, we examine the thermodynamics and kinetics of anion and cation point defects using density functional theory in hematite ( α -Fe 2 O 3 ), an important iron oxide highly relevant in both corrosion of steels and water-splitting applications. These calculations indicate that the migration barriers for point defects can vary significantly with charge state, particularly for cation interstitials. Additionally, we find multiple possible migration pathways for many of the point defects in this material, related to the low symmetry of the corundum crystal structure. The possible percolation paths are examined, using the barriers to determine the magnitude and anisotropy of long-range diffusion. Our findings suggest highly anisotropic mass transport in hematite, favoring diffusion along the c -axis of the crystal. In addition, we have considered the point defect formation energetics using the largest Fe 2 O 3 supercell reported to date.

36 MATERIALS SCIENCE↗

A Parametric Battery Model for the Conceptual Design of Electric Aircraft

Electric aircraft conceptual designs usually have an assumed specific power and specific energy for the aircraft’s energy storage system that dictates the total capacity and the peak power available. The specific energy and power are inherently linked to the state-of-charge and discharge rate from which they were derived; therefore, they will not directly correspond to the diverse circumstances encountered in various aircraft missions and flight segments. These parameters turn the battery system into a black box, disregard potential electrical restrictions, and disallow the aircraft and battery to be optimized as a system. Peering into this box, this study highlights the importance of incorporating a parametric battery model into the conceptual design workflow by splitting high-level terms such as power into voltage and current and investigating their variability during the discharge process. Through the modeling of these more detailed parameters, this methodology shows the feasibility of using low states-of-charge for contingency operations, including the end of the reserve mission, expanding the amount of usable capacity for electric aircraft. Stark differences in aircraft capabilities can arise between varying fidelity battery models due to late-mission, high-power flight operations. This parametric battery model effectively captures these differences by evaluating the limitations that arise within the individual battery cells and the aircraft powertrain. This paper shows that the unusable charge of a battery is set by the balked landing power requirement and can realistically range from 5% to 44% based on assumptions. This sets the analog to unusable fuel capacity in aircraft with liquid fuel systems. Needing only aircraft- and mission-level inputs and only seconds of run time, this model is a prime fit for the fast, accurate exploration of the electric aircraft conceptual design space.

Battery↗

A Methodology for the Analysis of Water Oxidation Electrocatalysts in the Absence of Limiting Current that Avoids the Pitfalls of Existing Methods

Water oxidation is an important reaction studied as a way to generate electrons from water, to promote water splitting and the formation of green hydrogen. When using electrodes to drive homogeneous water oxidation catalysis, cyclic voltammograms are analyzed to provide catalytic rate constants. There are two main methods, foot-of-the-wave analysis (FOWA) and limiting current analysis. FOWA relies on approximations inherent to analyzing water oxidation catalysis, such as determining the formal potential of the catalytic intermediate, E 0 cat . Limiting current methods are the optimal way to analyze catalyst performance but rely on observable limiting current, which is virtually never seen in water oxidation. To avoid those issues, a method is proposed for analyzing nonideal cyclic voltammetry waveshapes in water oxidation: by analyzing rate data across a large range of potentials, an optimal potential, E 0 cat , can be obtained, where catalytic current, i cat , is nearly independent of scan rate and has a linear dependency on buffer concentration. Here, the method is applied to four homogeneous water oxidation catalysts with prior extensive electrochemical elucidation, all of which lack an ideal, purely kinetic waveshape in cyclic voltammetry. Application of the method avoids the biases of the other methods cited for the kinetic analyses of water oxidation catalysts.

14 SOLAR ENERGY↗

Thermodynamic and electrical transport properties of UTe 2 under uniaxial stress

Despite intense experimental efforts, the nature of the unconventional superconducting order parameter of UTe 2 remains elusive. This puzzle stems from reports of either a single or a double superconducting transition at ambient pressure as well as a complex pressure-temperature phase diagram. To address this issue, we measured the heat capacity and electrical resistivity of UTe 2 under compressive uniaxial stress σ applied along different crystallographic directions. We find that the critical temperature T c of the single observed bulk superconducting transition decreases with σ along [100] and [110] but increases with σ along [001]. Aside from its effect on T c , c-axis stress leads to a significant piezoresistivity. Importantly, an in-plane shear stress σ xy does not induce any observable splitting of the superconducting transition over a stress range of σ xy ≈ 0.17GPa. Furthermore, this result suggests that the superconducting order parameter of UTe 2 may be single component at ambient pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A self-adaptive-grid method with application to airfoil flow

A self-adaptive-grid method is described that is suitable for multidimensional steady and unsteady computations. Based on variational principles, a spring analogy is used to redistribute grid points in an optimal sense to reduce the overall solution error. User-specified parameters, denoting both maximum and minimum permissible grid spacings, are used to define the all-important constants, thereby minimizing the empiricism and making the method self-adaptive. Operator splitting and one-sided controls for orthogonality and smoothness are used to make the method practical, robust, and efficient. Examples are included for both steady and unsteady viscous flow computations about airfoils in two dimensions, as well as for a steady inviscid flow computation and a one-dimensional case. These examples illustrate the precise control the user has with the self-adaptive method and demonstrate a significant improvement in accuracy and quality of the solutions.

Nakahashi, K.↗