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At least 1,099 records · Page 61

Finding wombling boundaries in LHC data with Voronoi and Delaunay tessellations

We address the problem of finding a wombling boundary in point data generated by a general Poisson point process, a specific example of which is an LHC event sample distributed in the phase space of a final state signature, with the wombling boundary created by some new physics. We discuss the use of Voronoi and Delaunay tessellations of the point data for estimating the local gradients and investigate methods for sharpening the boundaries by reducing the statistical noise. The outcome from traditional wombling algorithms is a set of boundary cell candidates with relatively large gradients, whose spatial properties must then be scrutinized in order to construct the boundary and evaluate its significance. Here we propose an alternative approach where we simultaneously form and evaluate the significance of all possible boundaries in terms of the total gradient flux. We illustrate our method with several toy examples of both straight and curved boundaries with varying amounts of signal present in the data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Dispatch optimization of concentrating solar power with utility-scale photovoltaics

Concentrating solar power (CSP) tower technologies capture thermal radiation from the sun utilizing a field of solar-tracking heliostats. When paired with inexpensive thermal energy storage (TES), CSP technologies can dispatch electricity during peak-market-priced hours, day or night. The cost of utility-scale photovoltaic (PV) systems has dropped significantly in the last decade, resulting in inexpensive energy production during daylight hours. The hybridization of PV and CSP with TES systems has the potential to provide continuous and stable energy production at a lower cost than a PV or CSP system alone. Hybrid systems are gaining popularity in international markets as a means to increase renewable energy portfolios across the world. Typically, CSP-PV hybrid systems have been evaluated using either monthly averages of hourly PV production or scheduling algorithms that neglect the time-of-production value of electricity in the market. To more accurately evaluate a CSP-PV-battery hybrid design, we develop a profit-maximizing mixed-integer linear program ($\mathcal{H}$) that determines a dispatch schedule for the individual sub-systems with a sub-hourly time fidelity. We introduce the mathematical formulation of such a model and show that it is computationally expensive to solve. To improve model tractability and reduce solution times, we offer techniques that: (1) reduce the problem size, (2) tighten the linear programming relaxation of ($\mathcal{H}$) via reformulation and the introduction of cuts, and (3) implement an optimization-based heuristic (that can yield initial feasible solutions for (($\mathcal{H}$) and, at any rate, yields near-optimal solutions). Applying these solution techniques results in a 79% improvement in solve time, on average, for our 48-h instances of (($\mathcal{H}$); corresponding solution times for an annual model run decrease by as much as 93%, where such a run consists of solving 365 instances of (($\mathcal{H}$), retaining only the first 24 h' worth of the solution, and sliding the time window forward 24 h. We present annual system metrics for two locations and two markets that inform design practices for hybrid systems and lay the groundwork for a more exhaustive policy analysis. A comparison of alternative hybrid systems to the CSP-only system reflects that hybrid models can almost double capacity factors while resulting in a 30% improvement related to various economic metrics.

14 SOLAR ENERGY↗

A mini review of cobalt-based nanocatalyst in Fischer-Tropsch synthesis

Fischer-Tropsch (F-T) synthesis, converting syngas to hydrocarbons, provides a green alternative for fuel production. Cobalt is one of the most intensively studied F-T catalysts due to its great activity, high stability, and relatively low cost. Overall, in this mini review, we summarized some recent advancements in the development of cobalt-based F-T catalysts focusing on the effects of particle size, surface oxidation states, crystallography, and bimetallic particles, with emphasis on the research from our group. Furthermore, non-steady state conditions were investigated to access the initial kinetics using chemical transient kinetics (CTK) experiments, which could bring more insights into the reaction mechanism and catalyst design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mechanical properties and microstructure of 316L stainless steel produced by hybrid manufacturing

Hybrid manufacturing is a combination of additive (deposition) and subtractive (machining) manufacturing in a single machine tool. Such a system can be used for near net shape manufacturing and component repair using either similar or dissimilar materials. Integrated into a single system, transition between additive and subtractive manufacturing can occur immediately and be leveraged to generate large components by alternating between the processes. In this investigation, we show how the interleaved capabilities can reduce overall cycle time by up to 68 %, improve average relative elongation to failure by 71 %, and reduce the average relative porosity fraction by 83 % when compared to traditional additive manufactured components. Results from this investigation builds the foundation needed for hybrid manufacturing to be applicable towards the manufacture of large complex components such as nosecones and marine propulsors.

36 MATERIALS SCIENCE↗

Anomalous neutron nuclear-magnetic interference spectroscopy

The electron–phonon interaction plays a critical role in materials’ electrical, thermal, optical, and superconducting properties. However, measuring the phonon mode-resolved electron–phonon interaction has been challenging. Here we propose neutron-scattering-based Anomalous Neutron nUclear-Magnetic Interference Spectroscopy (ANUBIS), where the co-existence of neutron nuclear scattering and magnetic scattering leads to anomalous dynamical structure factor under the presence of the electron–phonon interaction. Such anomalous structure factor is linear in electron–phonon coupling constant at the phonon wavevector, and is directly proportional to the momentum and energy-resolved dielectric function. The experimental configuration can be achieved using existing polarized inelastic neutron scattering setup, and an order-of-magnitude estimate shows the viability to observe the anomalous scattering signal is around to 10 –4 to 10 –3 relative to phonon scattering, which is examined through the preliminary experiments and achievable at emerging neutron facilities. As a result, our proposal offers an alternative neutron-based metrology to probe the crucial electronic properties.

Electron-phonon interactions↗

Strategies to minimize the influence of instrumental bias in neutron scattering

The influence of instrumental bias on neutron scattering measurements that involve a change between two experimental states is studied analytically and computationally. Different sources of bias were applied to an unperturbed (perfect) data stream. The influence of bias on the measurement was quantified and means to mitigate it is demonstrated. We find frequent changes of state are better than fewer, and evenly alternating between changes of state is often unwise.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Metal–Organic Frameworks as Catalysts for (De)Hydrogenation: Progress, Challenges, and Perspectives

Storing hydrogen through chemical bonding in liquid-organic hydrogen carriers (LOHCs) offers a safer and more practical approach for hydrogen transportation compared to physical liquefaction, which is limited by low volumetric efficiency and gas release. The efficiency of LOHC systems is highly dependent on effective catalysts, which are typically composed of transition metals supported on metal oxides. However, these materials often rely upon costly noble metals, and their nonuniform nature limits mechanistic insights and structure–function relationships that could improve catalyst design. Metal–organic frameworks (MOFs) are promising alternatives to existing catalysts due to their crystalline, tunable, and porous nature. However, their use as catalysts for (de)hydrogenation reactions remains largely underexplored. Related to this, we identify two general classes of MOFs reported as catalysts for (de)hydrogenation reactions: MOFs as scaffolds for catalytically active species and MOFs that function as reactive materials themselves. MOF composites anchor reactive nanoparticles or homogeneous species, imparting reactivity to the framework. The confinement effects experienced by the affixed species, combined with favorable substrate adsorption interactions or acid sites provided by the MOF, enhance the stability, selectivity, and activity of these catalysts for (de)hydrogenation reactions. Additionally, catalytically active MOFs often feature open metal sites at the node or undergo postsynthetic modification at either node or linker to impart reactivity. Here, taking inspiration from these materials, we outline the current state and key challenges of utilizing MOFs as (de)hydrogenation catalysts and propose research pathways to advance materials in this field for energy applications.

Catalysts↗

Chemical Design of Spin Frustration to Realize Topological Spin Glasses

Patterning spins to generate collective behavior is at the core of condensed matter physics. Physicists develop techniques, including the fabrication of magnetic nanostructures and precision layering of materials specifically to engender frustrated lattices. As chemists, we can access such exotic materials through targeted chemical synthesis and create new lattice types by chemical design. Here, in this study, we introduce a new approach to induce magnetic frustration on a modified honeycomb lattice through a competition of alternating antiferromagnetic (AFM) and ferromagnetic (FM) nearest-neighbor interactions. By subtly modulating these two types of interactions through facile synthetic modifications, we created two systems: (1) a topological spin glass and (2) a frustrated spin-canted magnet with low-temperature exchange bias. To design this unconventional magnetic lattice, we used a metal–organic framework (MOF) platform, Ni 3 (pymca) 3 X 3 (NipymcaX where pymca = pyrimidine-2-carboxylato and X = Cl, Br). We isolated two MOFs, NipymcaCl and NipymcaBr, featuring canted Ni 2+ -based moments. Despite this similarity, differences in the single-ion anisotropies of the Ni 2+ spins result in distinct magnetic properties for each material. NipymcaCl is a topological spin glass, while NipymcaBr is a rare frustrated magnet with low-temperature exchange bias. Density functional theory calculations and Monte Carlo simulations on the NipymcaX lattice support the presence of magnetic frustration as a result of alternating AFM and FM interactions. Our calculations enabled us to determine the ground-state spin configuration and the distribution of spin–spin correlations relative to paradigmatic kagomé and triangular lattices. This modified honeycomb lattice is similar to the electronic Kekulé-O phase in graphene and provides a highly tunable platform to realize unconventional spin physics.

Exchange bias↗

Near Quantitative Removal of Selenate and Sulfate Anions from Wastewaters by Cocrystallization with Chelating Hydrogen-Bonding Guanidinium Ligands

Selenium (Se) has become an environmental contaminant of aquatic ecosystems as a result of human activities, particularly mining, fossil fuel combustion, and agricultural activities. By leveraging the high sulfate concentrations relative to Se oxyanions (i.e., SeO n 2– , n = 3, 4) present in some wastewaters, we have developed an efficient approach to Se-oxyanion removal by cocrystallization with bisiminoguanidinium (BIG) ligands that form crystalline sulfate/selenate solid solutions. The crystallization of the sulfate, selenate and selenite, oxyanions and of sulfate/selenate mixtures with five candidate BIG ligands are reported along with the thermodynamics of crystallization and aqueous solubilities. Oxyanion removal experiments with the top two performing candidate ligands show a near quantitative removal (>99%) of sulfate or selenate from solution. When both sulfate and selenate are present, there is near quantitative removal (>99%) of selenate, down to sub-ppb Se levels, with no discrimination between the two oxyanions during cocrystallization. Reducing the selenate concentrations by 3 orders of magnitude or more relative to sulfate, as found in many wastewaters, led to no measurable loss in Se removal efficiencies. This work offers a simple and effective alternative to selective separation of trace amounts of highly toxic selenate oxyanions from wastewaters, to meet stringent regulatory discharge limits.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Can Convolution and Deconvolution Be Used as Tools for Modeling Multicomponent, Mixing-Limited Reaction Networks?

Transfer functions (i.e., convolutions) have been powerful tools for both forward modeling and reconstructing past states of transport systems in a wide range of subsurface flow problems. The advantage of the transfer function is that it is a simple alternative to complicated, distributed parameter models of flow and transport, but the majority of applications of transfer functions in hydrology have been limited to relatively simple cases, like passive tracers or first-order decay. The central question evaluated in this note is whether or not multicomponent mixing-limited reactive transport can be represented within a transfer function framework. Our examples consider forward-in-time predictions and backward-in-time reconstructions of a carbonate system that represents the intrusion of seawater into a freshwater aquifer. The main result is that accurate forward-in-time and backward-in-time models are developed by posing the problem in terms of conservative components. As with all convolution-based methods, the results are sensitive to errors and/or noise in the input functions, but we show that smoothed approximations of the requisite functions provide good representations of transport. Given the vast unknowns in any subsurface transport problem, such generalized, reactive transfer function models may have yet unexplored advantages when the trade-offs between overall computational cost, accuracy, and uncertainty are explored in more detail.

42 ENGINEERING↗

The role of the tropical Atlantic in tropical Pacific climate variability

Abstract Interactions between Atlantic and Pacific Oceans can affect tropical Pacific variability and its global impacts at both interannual and decadal timescales. Thus, a deepened understanding of the coupled Atlantic-Pacific interactions is needed. While possible dynamical mechanisms by which the Atlantic can influence the Pacific have been identified, the effectiveness of those mechanisms is difficult to establish using climate model simulations where Atlantic sea surface temperatures (SSTs) are prescribed and Pacific feedbacks cannot be realistically included. As an alternative approach, here we use a Linear Inverse Model (LIM) trained on observations and capable of correctly reproducing the observed statistics, to assess the relative role of the Atlantic-to-Pacific and Pacific-to-Atlantic influences on tropical Pacific variability. Our results indicate that Atlantic internal variability can enhance interannual SST anomalies in the eastern equatorial Pacific, and decadal SST anomalies in the central equatorial Pacific, while Pacific influences on the Atlantic significantly damp tropical Pacific decadal variability. This methodological framework could also be used to assess climate model fidelity in representing tropical basin interactions, helping to reconcile existing differences among models’ results.

Meteorology & Atmospheric Sciences↗

Quantifying uncertainty in analysis of shockless dynamic compression experiments on platinum. II. Bayesian model calibration

Dynamic shockless compression experiments provide the ability to explore material behavior at extreme pressures but relatively low temperatures. Typically, the data from these types of experiments are interpreted through an analytic method called Lagrangian analysis. Here, in this work, alternative analysis methods are explored using modern statistical methods. Specifically, Bayesian model calibration is applied to a new set of platinum data shocklessly compressed to 570 GPa. Several platinum equation-of-state models are evaluated, including traditional parametric forms as well as a novel non-parametric model concept. The results are compared to those in Paper I obtained by inverse Lagrangian analysis. The comparisons suggest that Bayesian calibration is not only a viable framework for precise quantification of the compression path, but also reveals insights pertaining to trade-offs surrounding model form selection, sensitivities of the relevant experimental uncertainties, and assumptions and limitations within Lagrangian analysis. The non-parametric model method, in particular, is found to give precise unbiased results and is expected to be useful over a wide range of applications. The calibration results in estimates of the platinum principal isentrope over the full range of experimental pressures to a standard error of 1.6%, which extends the results from Paper I while maintaining the high precision required for the platinum pressure standard.

Brown, Justin Lee↗

Benchmarking Demand Flexibility in Commercial Buildings and Flattening the Duck – Addressing Baseline and Commissioning Challenges

With the transition from our traditional electric grid to a cleaner grid with renewable power generation, there is a need to enable building loads to be flexible. Load shedding and shifting will be essential for flattening the “Duck” for decarbonization. This paper explored the trend in the timing of DR events as a reflection of the grid’s needs using recent four years of event data from 203 retail stores in 11 states. The events are becoming significantly shorter with 2-hour duration being the most popular; shifting to late afternoon and early evening is another trend beyond California. Benchmarking will be essential for accounting DF as a reliable grid resource. This paper addresses a challenging aspect of benchmarking – inaccuracies in counterfactual baseline methods can introduce significant DF metrics variations in addition to weather and building characteristics related factors. The conventional “10/10” with adjustment baseline method has inherent limitation by design for load shifting applications. Therefore, it is imperative to identify alternative methods. This study compared three hourly regression baseline methods with “10/10” methods using two groups of commercial buildings that participated in DR programs: (1) 121 big-box retail stores, and (2) 11 office buildings in CA. The 14-day hourly outdoor temperature regression method was found to produce least error in the tested datasets and is promising for load shifting. The paper also pointed out that commissioning issues can also be a significant barrier for achieving consistent DF performance, which building managers and utilities should be aware of.

Liu, Jingjing↗

Factors that Impact the Redox Kinetics Associated with Sr1-xAxFeO3 (A = Ca, Ba) in Air Separations Technologies

Perovskite oxides, including SrFeO3-δ, have garnered significant interest for their impressive oxygen storage thermodynamics and kinetics. While traditional oxygen production is performed through cryogenic separation methods at the industrial scale, oxygen carrier-based separations have offered an attractive alternative at the modular scale. Perovskites are considered ideal oxygen carriers, with their structural flexibility minimizing both the thermodynamic barrier and the structural strain related to the oxygen uptake/release cycle. Our latest work has identified a few major factors that directly impact the oxygen release thermodynamics and kinetics for Sr1-xAxFeO3-δ (A = Ca, Ba) materials including elemental composition, crystallographic symmetry, surface area, and pretreatment conditions. This presentation will discuss these factors using Sr1¬-xCaxFeO3 and Ba1-xSrxFeO3 to illustrate their individual and collective impacts on the design of high-performance oxygen carriers when operating at 300-700 °C. Additionally, we will discuss how each of these factors can be leveraged for the numerous catalytic applications also dependent on the redox properties of mixed metal oxides.

Popczun, Eric↗

Federal Facility Agreement and Consent Order Nevada National Security Site Use Restriction Management Plan, Revision 2

This Use Restriction Management Plan (URMP) provides the information needed to create, modify, and manage use restrictions (URs) for sites on the Nevada National Security Site (NNSS), and sites accessed through the NNSS main gate, that were closed using the corrective action alternative (CAA) of closure in place under the Federal Facility Agreement and Consent Order (FFACO). It addresses URs established under the FFACO for releases related to the development, testing, and production of nuclear weapons that are located on the NNSS and that are accessed through the NNSS main gate. FFACO URs are established at sites where contamination remains at levels exceeding final action levels (FALs) or is forecasted to exceed Safe Drinking Water Act (SDWA) maximum contaminant levels (CFR, 2025a) over the next 1,000 years following completion of corrective actions. Administrative URs are established at Industrial Sites and Soils sites where contamination remains at levels exceeding industrial action levels as defined in the Soils RBCA document. All URs stipulate restrictions sufficient to ensure the protection of human health, safety, and the environment.

54 ENVIRONMENTAL SCIENCES↗

Study of the single body yawed-wing aircraft concept

Areas relating to the development and improvement of the single-fuselage, yawed-wing transonic transport concept were investigated. These included: (1) developing an alternate configuration with a simplified engine installation;(2) determining a structural design speed placard that would allow the engine-airframe match for optimum airplane performance; and (3) conducting an aeroelastic stability and control analysis of the yawed-wing configuration with a flexible wing. A two-engine, single-fuselage, yawed-wing configuration was developed that achieved the Mach 1.2 design mission at 5560 km (3000 nmi) and payload of 18,140 kg (40,000 lb) with a gross weight of 217,700 kg (480,000 lb). This airplane was slightly heavier than the aft-integrated four-engine configuration that had been developed in a previous study. A modified structural design speed placard, which was determined, resulted in a 6% to 8% reduction in the gross weight of the yawed-wing configurations. The dynamic stability characteristics of the single-fuselage yawed-wing configuration were found to be very dependent on the magnitude of the pitch/roll coupling, the static longitudinal stability, and the dihedral effect.

Kulfan, R. M.↗

User data dissemination concepts for earth resources, appendixes

A number of appendices were presented, dealing with the following topics: (1) a summary of the recommendations for spectral band location from six studies and for six disciplines. (2) demonstration of the LANDSAT scenes required for a satellite of 18-day repeat cycle, and comparison of the data volume associated with scene transmission with the data volume based on length-of-swath estimates, (3) presentation of a sample of the potential user demand projected based on polar orbiter passes over Conus and Alaska, (4) presentation of the nominal and expanded user demands for both Conus and Alaska, (5) derivation of a mathematical relation, (6) tables giving cost calculations for certain data points, (7) presentation of the UOT G/T and link budgets for leased-transponder transmission alternative, and (8) flow charts of the simulation program.

Source record↗

Coordinate transformation and truncation for rotating spacecraft with flexible appendages

The analytical structures of alternative coordinate transformations for the variables that characterize the deformations of finite element models of flexible appendages on rotating spacecraft are examined. Particular emphasis is given to the truncation operations that are essential for efficient numerical simulations of flexible spacecraft, due to the necessarily large number of coordinates employed in a finite element description. A theorem is developed which establishes necessary conditions for the commutativity of the required truncation and inversion operations. The recommended alternative for the rotating elastic appendage is a complex transformation with previously published orthogonality properties, which permit the derivation in this paper of a relatively simple explicit set of transformed and truncated equations of modal vibration in real variables.

Likins, P.↗