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At least 163 records · Page 9

Development of Hierarchical Control for a Lunar Habitat DC Microgrid Model Using Power Hardware-in-the-Loop

As interest in space exploration grows, developing a lunar habitat has become a key component of extending missions into deep space. To guarantee reliable power management of a habitat’s DC microgrid, control schemes are needed that can manage the different assets (batteries, photovoltaics, loads) effectively. Proposed hierarchical control schemes are further developed into hardware solutions using Opal-RT’s real-time simulation software and Power Hardware-in-the-Loop platform. Experimental results of a simulated DC microgrid and physical DC/DC components can allow better realization and performance of applications such as battery discharge control.

PHIL↗

A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors**

The COVID-19 pathogen, SARS-CoV-2, requires its main protease (SC2M Pro ) to digest two of its translated long polypeptides to form a number of mature proteins that are essential for viral replication and pathogenesis. Inhibition of this vital proteolytic process is effective in preventing the virus from replicating in infected cells and therefore provides a potential COVID-19 treatment option. Guided by previous medicinal chemistry studies about SARS-CoV-1 main protease (SC1M Pro ), we have designed and synthesized a series of SC2M Pro inhibitors that contain β-(S-2-oxopyrrolidin-3-yl)-alaninal (Opal) for the formation of a reversible covalent bond with the SC2M Pro active-site cysteine C145. All inhibitors display high potency with K i values at or below 100 nM. The most potent compound, MPI3, has as a K i value of 8.3 nM. Crystallographic analyses of SC2M Pro bound to seven inhibitors indicated both formation of a covalent bond with C145 and structural rearrangement from the apoenzyme to accommodate the inhibitors. Virus inhibition assays revealed that several inhibitors have high potency in inhibiting the SARS-CoV-2-induced cytopathogenic effect in both Vero E6 and A549/ACE2 cells. Two inhibitors, MPI5 and MPI8, completely prevented the SARS-CoV-2-induced cytopathogenic effect in Vero E6 cells at 2.5-5 μM and A549/ACE2 cells at 0.16-0.31 μM. Their virus inhibition potency is much higher than that of some existing molecules that are under preclinical and clinical investigations for the treatment of COVID-19. Our study indicates that there is a large chemical space that needs to be explored for the development of SC2M Pro inhibitors with ultra-high antiviral potency.

3C-like protease↗

Renormalons in the energy-energy correlator

The energy-energy correlator (EEC) is an observable of wide interest for collider physics and Standard Model measurements, due to both its simple theoretical description in terms of the energy-momentum tensor and its novel features for experimental studies. Significant progress has been made in both applications and higher-order perturbative predictions for the EEC. Here, we analyze the nature of the asymptotic perturbative series for the EEC by determining its analytic form in Borel space under the bubble-sum approximation. This result provides information on the leading and subleading nonperturbative power corrections through renormalon poles. We improve the perturbative convergence of the $\overline{MS}$ series for the EEC by removing its leading renormalon using an MSR scheme, which is independent of the bubble-sum approximation. Using the leading MSR scheme power correction determined by fits to thrust, we find good agreement with EEC OPAL data already at O(α$^{2}_{s}$).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Transverse Λ polarization in e + e – processes within a TMD factorization approach and the polarizing fragmentation function

We perform a re-analysis of Belle data for the transverse Λ and Λ¯ polarization in e + e – annihilation processes within a transverse momentum dependent (TMD) factorization approach. We consider two data sets, one referring to the associated production of Λ’s with a light unpolarized hadron in an almost back-to-back configuration, and one for the inclusive Λ production, with the reconstruction of the thrust axis. We adopt the Collins-Soper-Sterman framework and employ the recent formulation on the factorization of single-inclusive hadron production. This extends a previous phenomenological study carried out in a more simplified TMD approach, leading to a new extraction of the polarizing fragmentation function (FF). While confirming several features of the previous analysis, here we include the proper QCD scale dependence of this TMD FF and carefully exploit the role of its nonperturbative component. Here, the compatibility, within a unique TMD factorization scheme, of double and single-inclusive hadron production is discussed in detail. Moreover, we consider another data set for inclusive Λ production, at much larger energies, from the OPAL Collaboration, in order to test the consistency of the entire approach. Finally, we elaborate on some fundamental issues like the role of SU(2) isospin symmetry and the heavy quark contributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A generic microgrid controller: Concept, testing, and insights

Microgrids have garnered attention in recent years as a way to increase the reliability of the grid, increase the reliability of electricity service to customers, adapt to an increasing percentage of intermittent renewable generation, and serve both customer critical loads and the needs of adjacent communities in the case of emergencies such as natural disasters. One barrier to microgrids is the historic cost and lack of standardization associated with microgrid controllers. To reduce this cost and address standardization, specifications for a Generic Microgrid Controller (GMC) were developed with the goal to facilitate the design and ease of adaptation of microgrid controllers to various microgrids of different sizes and with different resources. A GMC must address two core functions, Transition and Dispatch, as well as several optional higher level functions such as economic dispatch, and renewable and load forecasting. The GMC specifications were demonstrated and evaluated using a commercial simulation platform for two different microgrids, a 20MW-Class community microgrid and a 10MW-Class medical center microgrid. For each microgrid, the GMC was tested in hardware-in-the-loop (HIL) using an OPAL-RT real-time digital simulator, and the two core functions were assessed. The results established that (1) the GMC is successful in seamlessly transitioning the microgrids to and from an islanded mode, (2) a load/generation mismatch at the time of separation depends on the microgrid configuration and must be lower than a specific value determined by simulation testing, and (3) the GMC Dispatch Function response is acceptable in maintaining, in the islanded mode, 60Hz for a range of load changes.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A multi-agent approach to distribution system fault section estimation in smart grid environment

We report that Multi-Agent Systems (MAS) are seen from different areas as one of the paramount trends for the next generation of power systems. Numerous published studies about MAS discuss its utilization in power distribution networks but none focuses on the prior step to restoration and self-healing that is fault section estimation. This paper aims to show how MAS can improve the utilities’ reliability indexes and consumer satisfaction by overcoming the multiple fault section estimation problem. In order to do this, the authors considered using MAS as a means of communication between smart meters. The purpose of smart meters usage is to employ devices that are already present in smart grids, mainly because of their reading and saving data capacity. The proposed method was tested on a radial feeder generated by the authors. The network was built on HYPERSIM, a software platform of OPAL-RT Technologies. The simulation results show that this MAS provides speed, efficiency, and automation for the process of fault section estimation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Adaptation of virtual synchronous generators to dynamic conditions in power grids

Virtual synchronous generators (VSGs) are widely adopted as grid-forming controls for inverter-based resources. However, when grid conditions vary significantly as characterized by changes in short-circuit ratio (SCR) and the reactance-to-resistance (X/R) ratio, fixed-gain designs and the commonly used P–Q decoupling assumption can become inaccurate. Such conditions can degrade transient power performance, leading to oscillations, prolonged settling, and overshoot, particularly in stiff-grid operating points. This paper quantifies how grid strength and impedance-dependent coupling affect the active–reactive power dynamics of a conventional VSG over a broad range of SCR and X/R values. An adaptive VSG tuning framework is then developed by combining (i) a coupling-explicit, impedance-parameterized state-space model to enable systematic controller synthesis, (ii) a full-state-feedback law designed via pole placement to meet prescribed damping and settling-time specifications, and (iii) a physics-informed neural network (PINN)–based online grid-impedance estimator that updates controller gains in real time as grid conditions vary. Offline simulations in MATLAB/Simulink and real-time validation on an OPAL-RT platform show that the proposed method preserves consistent damping and settling behavior with reduced overshoot across wide SCR and X/R ranges, compared with fixed-gain VSG baselines.

Adaptive control↗

Toward an Understanding of Surface Layer Formation, Growth, and Transformation at the Glass–Fluid Interface

Silicate glass is a metastable and durable solid that has application to a number of energy and environmental challenges (e.g., microelectronics, fiber optics, and nuclear waste storage). If allowed to react with water over time silicate glass develops an altered layer at the solid-fluid interface. In this study, we used borosilicate glass (LAWB45) as model material to develop a robust understanding of altered layer formation (i.e., amorphous hydrated surface layer and crystalline reaction products). Experiments were conducted at high surface area-to-volume ratio (~200,000 m-1) and 90 °C in the pressurized unsaturated flow (PUF) apparatus for 1.5-years to facilitate the formation of thick altered layers and allow for the effluent solution chemistry to be monitored continuously. A variety of microscopy techniques were used to characterized reacted grains and suggest the average altered layer thickness is 13.2 ± 8.3 μm with the hydrated and clay layer representing 74.8% and 25.2% of the total altered layer, respectively. This estimate is within the experimental error of the value estimated from the B release rate data (~10 ±1 μm/yr) over the 1.5-year duration. PeakForce® quantitative nanomechanical mapping results suggest the hydrated layer has a modulus that ranges between ~20 to 40 GPa, which is in the range of porous silica that contains from ~20 to ~50% porosity, yet significantly lower than dense silica (~70 to 80 GPa). Scanning transmission electron microscopy (STEM) images confirm the presence of pores and an analysis of a higher resolution image of a region provides a qualitative estimate of ≥ 22% porosity in this layer with variations in the hydrated layer in void volume with increasing distance from the unaltered glass. Chemical composition analyses, based on a combination of time-of-flight secondary-ion mass spectrometry (ToF-SIMS) and scanning electron microscopy with X-ray energy dispersive spectroscopy (EDS) and STEM-EDS, clearly show that the altered layer is mainly composed of Al, H, Si, and O with the clay layer being enriched in Li, Zn, Fe, and Mg. The amorphous hydrated layer is enriched in Ca, H, and Zr with a minor amount of K. Furthermore, ToF-SIMS results also suggest the B profile is anti-correlated with the H profile in the hydrated layer. Our selected-area electron diffraction results suggest the structure of the hydrated layer closely resembles opal-AG (amorphous gel-like) with an average crystallite size of ~0.7 nm which is smaller than the critical nucleus for silica nanoparticles (i.e., 1.4 to 3 nm). These results suggest the hydrated layer is more consistent with a polymeric gel rather than a colloidal gel and is comprised of molecular units (<1 nm in size) that result from the difficult to hydrolyze bonds, such as Si—O—Zr units, during the glass corrosion process. The size of individual particles or molecular units is a function of formation conditions (e.g., pH, ionic strength, nano-confinement, solute composition) in the hydrated layer.

36 MATERIALS SCIENCE↗

Composite Structured Surfaces for Durable Dropwise Condensation

Dropwise condensation of steam on hydrophobic substrates has a 10X higher heat transfer coefficient compared to filmwise condensation. To promote dropwise condensation, low surface energy hydrophobic coatings (polymers) are typically utilized. The low intrinsic thermal conductivity (k < 1 W/(m · K)) of polymers, coupled with high heat transfer coefficient of dropwise condensation (100 kW/(m 2 · K)), necessitates that the coating be thin (< 1µm) in order to avoid reducing the overall heat exchanger conductance. However, thin polymeric films easily degrade. The two opposing requirements result in the need for optimization between the durability (thick coating) and the heat transfer (thin coating). To enable high thermal conductivity in thicker coatings, we develop metal-polymer structured surfaces. By using porous structures as inter-connected heat-conducting backbones that are filled with hydrophobic materials, we enable tuning of the coating effective thermal conductivity and surface energy. Three metal structures were studied; micro/nanowires, inverse opals, and sintered spheres. Heat transfer performance was calculated using three-dimensional finite element method simulations with two distinct boundary conditions; convection at the walls and isothermal walls. Interestingly, the overall conductance shows up to 40% difference depending on the boundary condition used in calculating the composite coating effective thermal conductivity. We use our model to predict the heat transfer performance as a function of metal fraction by volume and by surface area for condensation. By coupling our thermal simulations with a previously verified analytical model for predicting wetting behavior on heterogeneous surfaces, we propose a regime map to predict dropwise-to-filmwise transition. Furthermore, our work not only forms a starting point for the development of durable dropwise condensing surfaces, it identifies important considerations needed for computing effective thermal conductivity of composites.

42 ENGINEERING↗

A novel adaptive time stepping variant of the Boris–Buneman integrator for the simulation of particle accelerators with space charge

We show that adaptive time stepping in particle accelerator simulation is an enhancement for certain problems. The new algorithm has been implemented in the OPAL (Object Oriented Parallel Accelerator Library) framework. The idea is to adjust the frequency of costly self-field calculations, which are needed to model Coulomb interaction (space charge) effects. In analogy to a Kepler orbit simulation that requires a higher time step resolution at the close encounter, we propose to choose the time step based on the magnitude of the space charge forces. Inspired by geometric integration techniques, our algorithm chooses the time step proportional to a function of the current phase space state instead of calculating a local error estimate like a conventional adaptive procedure. Building on recent work, a more profound argument is given on how exactly the time step should be chosen. An intermediate algorithm, initially built to allow a clearer analysis by introducing separate time steps for external field and self-field integration, turned out to be useful by its own, for a large class of problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Three-dimensionally scaffolded Co 3 O 4 nanosheet anodes with high rate performance

Advances in secondary batteries are required for realization of many technologies. In particular, there remains a need for stable higher energy batteries. Here we suggest a new anode concept consisting of an ultrathin Co 3 O 4 nanosheet-coated Ni inverse opal which provides high charge–discharge rate performance using a material system with potential for high energy densities. Via a hydrothermal process, about 4 nm thick Co 3 O 4 nanosheets were grown throughout a three-dimensional Ni scaffold. This architecture provides efficient pathways for both lithium and electron transfer, enabling high charge–discharge rate performance. Here, the scaffold also accommodates volume changes during cycling, which serves to reduce capacity fade. Because the scaffold has a low electrical resistance, and is three-dimensionally porous, it enables most of the electrochemically active nanomaterials to take part in lithiation–delithiation reactions, resulting in a near-theoretical capacity. On a Co 3 O 4 basis, the Ni@Co 3 O 4 electrode possesses a capacity of about 726 mAh g –1 at a current density of 500 mA g –1 after 50 cycles, which is about twice the theoretical capacity of graphite. The capacity is 487 mAh g –1 , even at a current density of 1786 mA g –1 .

25 ENERGY STORAGE↗

Transverse Λ polarization in e + e - collisions

In this paper we study transverse polarization of hyperons in single-inclusive leptonic annihilation. We show that when the transverse momentum of the baryon is measured with respect to the thrust axis, a transverse momentum dependent (TMD) factorization formalism is required and the polarization is generated by the TMD polarizing fragmentation function (TMD PFF), D 1 T &#x22A5; . However, when the transverse momentum of the baryon is measured with respect to the momentum of the initial leptons, a collinear twist-3 formalism is required and the polarization is generated by the intrinsic collinear twist-3 fragmentation function D T . Thus while these measurements differ from one another only by a change in the measurement axis, they probe different distribution functions. Recently, Belle measured a significant polarization in single-inclusive baryon production as a function of the transverse momentum with respect to the thrust axis. However, this data can in principle be re-analyzed to measure the polarization as a function of the transverse momentum of the baryon with respect to the lepton pair. This observable could be the first significant probe of the function, D T . In this paper, we first develop a TMD formalism for polarization; we then present a recent twist-3 formalism that was established to describe polarization. Using the TMD formalism, we demonstrate that the polarization at OPAL and Belle can be described using the twist-2 TMD factorization formalism. Finally, we make a theoretical prediction for this polarization in the collinear twist-3 formalism at Belle.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Quantification of water content by laser induced breakdown spectroscopy on Mars

Laser induced breakdown spectroscopy (LIBS), as performed by the ChemCam instrument, provides a new technique to measure hydrogen at the surface of Mars. Using a laboratory replica of the LIBS instrument onboard the Curiosity rover, different types of hydrated samples (basalts, calcium and magnesium sulfates, opals and apatites) covering a range of targets observed on Mars have been characterized and analyzed in this paper. A number of factors related to laser parameters, atmospheric conditions and differences in targets properties can affect the standoff LIBS signal, and in particular the hydrogen emission peak. Dedicated laboratory tests were run to identify a normalization of the hydrogen signal which could best compensate for these effects and enable the application of the laboratory calibration to Mars data. We check that the hydrogen signal increases linearly with water content; and normalization of the hydrogen emission peak using to oxygen and carbon emission peaks (related to the breakdown of atmospheric carbon dioxide) constitutes a robust approach. Finally, moreover, the calibration curve obtained is relatively independent of the samples types.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Integrated Experimental and Modeling Study of Geochemical Reactions of Simple Fracturing Fluids with Caney Shale

Interactions between rock minerals and hydraulic fluids directly impact the geochemical and geomechanical properties of shale formations. However, the mechanisms of geochemical reactions in shale unconventional reservoirs remain poorly understood. Here, to investigate the geochemical reactions between shale and hydraulic fracturing fluids, a series of batch reactor experiments were undertaken. Three rock samples with different mineralogical compositions and three fluid samples of different compositions (deionized water, deionized water + 2% potassium chloride (KCl), and deionized water + 0.5% choline chloride (C 5 H 14 ClNO) were used. Experiments were undertaken at reservoir temperature and atmospheric pressure. Elemental compositions of effluents after 1, 3, 7, 14, 28 days were analyzed using Inductively Couple Plasma Mass Spectrometry (ICP-MS). Medical Computed Tomography (CT) scan and X-ray Fluorescence (XRF) were conducted on the entire core run to help upscale results obtained from rock-fluid interaction experiments. Geochemical modeling using a reactive simulator, TOUGHREACT, was undertaken to corroborate experimental results. Results show that lower pH triggered high dissolution rates in the rock samples, especially the carbonate components. As pH increased, the rate of dissolution declined significantly, though for most cases dissolution still continued. Observed dissolved silica concentrations were much higher than the quartz solubility, suggesting that much of the silica originates from more soluble silica polymorphs and possibly desorption from clay mineral exchange sites. Concentration of most elemental species in solution increased but aluminium and magnesium concentrations declined rapidly following initial entry into solution. Geochemical modeling corroborated the conclusions regarding mineral dissolution and precipitation observed from experiments, notably; the dissolution of calcite and oxidation of pyrite in reacted shale samples, the likely presence of silica polymorphs such as opal, chalcedony or amorphous silica in these samples, and the reduction of Al and Mg concentrations in solution by precipitation of secondary aluminosilicate phases. The de-flocculation of clay minerals during reaction implies fines migration after hydraulic fracturing. This is detrimental to reservoir productivity as clay fines are displaces and lodged within the micro and nano-fractures created during fracturing. The immediate consumption of aluminium and magnesium also has implications on blockage of hydrocarbon pathways due to precipitation of new minerals in these locations.

04 OIL SHALES AND TAR SANDS↗

Connecting Hindered Transport in Porous Media across Length Scales: From Single-Pore to Macroscopic

Hindered mass transport is widely observed in various porous media, including filtration membranes and porous rocks. However, there is no universal model capable of predicting transport in porous media due to the heterogeneity of porous structures and the complexity of the underlying microscopic mechanisms, including electrostatic and hydrodynamic effects. Here, we used a highly ordered porous medium (i.e. a silica inverse opal film) as a model system to directly explore the effects of geometric parameters (i.e. pore size, pore throat size and tracer particle size) and microscopic interaction parameters (e.g. controlled by ionic strength) on nanoparticle transport in porous environments using three-dimensional single-particle tracking. We found a linear scaling relation between the macroscopic diffusion coefficient and microscopic diffusion behaviors and a combination of parameters associated with microscopic features and phenomena, including both geometric effects and particle-level interactions. The proportionality coefficient relating micro and macro behaviors was complex and related to the connectivity of the matrix and pore-size variation, which could lead to tortuous diffusion pathways, hindering macroscopic transport. Furthermore, these findings provide important insights into nanoparticles and macromolecules transport in various porous media.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Photocathode Chromophore–Catalyst Assembly via Layer-By-Layer Deposition of a Low Band-Gap Isoindigo Conjugated Polyelectrolyte

Low band-gap conjugated polyelectrolytes (CPEs) can serve as efficient chromophores for use on photoelectrodes for dye-sensitized photoelectrochemical cells. Herein is reported a novel CPE based on poly(isoindigo-co-thiophene) with pendant sodium butylsulfonate groups (PiIT) and its use in construction of layer-by-layer (LbL) chromophore–catalyst assemblies with a Pt-based H+ reduction catalyst (PAA-Pt) for water reduction. A novel Stille polymerization/postpolymerization ion-exchange strategy was used to convert an organic-soluble CPE to the water-soluble poly(isoindigo-co-thiophene). The anionic PiIT polyelectrolyte- and polyacrylate-stabilized Pt-nanoparticles (PAA-Pt) were codeposited with cationic poly(diallyldimethylammonium) chloride (PDDA) onto inverse opal (IO), nanostructured indium tin oxide film (nITO) (IO nITO) atop fluorine doped tin oxide (FTO), by using LbL self-assembly. To evaluate the performance of novel conjugated PiIT//PAA-Pt chromphore–catalyst assemblies, interassembly hole transfer was investigated by photocurrent density measurements on FTO//IO nITO electrodes. Enhanced cathodic photocurrent is observed for the polychromophore–catalyst assemblies, compared to electrodes modified with only PiIT, pointing toward photoinduced hole transfer from the excited PilT to the IO nITO. Prolonged photoelectrolysis experiments reveal H2 production with a Faradaic yield of approximately 45%. This work provides new routes to carry out visible-light-driven water reduction using photocathode assemblies based on low band-gap CPEs.

08 HYDROGEN↗

High-Surface-Area Architectures for Improved Charge Transfer Kinetics at the Dark Electrode in Dye-Sensitized Solar Cells

Dye-sensitized solar cell (DSC) redox shuttles other than triiodide/iodide have exhibited significantly higher charge transfer resistances at the dark electrode. This often results in poor fill factor, a severe detriment to device performance. Rather than moving to dark electrodes of untested materials that may have higher catalytic activity for specific shuttles, the surface area of platinum dark electrodes could be increased, improving the catalytic activity by simply presenting more catalyst to the shuttle solution. A new copper-based redox shuttle that experiences extremely high charge-transfer resistance at conventional Pt dark electrodes yields cells having fill-factors of less than 0.3. By replacing the standard Pt dark electrode with an inverse opal Pt electrode fabricated via atomic layer deposition, the dark electrode surface area is boosted by ca. 50-fold. The resulting increase in interfacial electron transfer rate (decrease in charge-transfer resistance) nearly doubles the fill factor and therefore the overall energy conversion efficiency, illustrating the utility of this high-area electrode for DSCs.

Hoffeditz, William L.↗

On an Extensive Late Hydrologic Event in Gale Crater as Indicated by Water‐Rich Fracture Halos

Abstract We analyze spatially pervasive, light‐toned “halos” associated with fractures in a sedimentary unit (Stimson) of Gale crater, Mars, and report a similar network of halos discovered in a separate geologic group (Bradbury). Through a dedicated active neutron measurement campaign, we provide independent confirmation of the water‐rich nature of these features. Together with mineralogical and geochemical data, these features are consistent with abundant hydrated amorphous silica (opal‐A). We suggest that the mineral and amorphous assemblages are indicative of formation under low‐temperature and predominantly low‐pH conditions (passive silica enrichment) with minor contribution of silica (active silica enrichment) from adjacent units. We show that there is significant amorphous silica in the array of sedimentary rocks in Gale crater, allowing them to play a role in an active silica enrichment phase of halo formation. We suggest that the involved alteration event was short lived and our finding of vast halo networks in a distant, older unit implies a more vast network of hydrologic subsurface conduits than previously known. This relatively recent subsurface hydrologic system was present long after the transition from a warm and wet to a cold and dry Martian environment, extending the habitability conditions on Mars to an epoch that is generally considered not favorable for life on the surface. Finally, our bulk H quantification of these features, which ranges from ∼3–6 wt% H 2 O‐equivalent‐H, suggests that the amorphous material in halos hosts ample supplies of readily released water, making them a considerable resource at the otherwise dry Martian equator.

Gabriel, Travis S. J.↗