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At least 1,765 records · Page 98

Moving Away from Ones and Zeros, Designing a Ground Data System Based on Higher Levels of Abstraction

Previous JPL ground systems have been designed with the Ground Data System (GDS) engineer in mind. The focus on these systems has been on packaging and delivery of low level information (frames, packets, telemetry values) to the end user. It was not that long ago when project teams would be huddled over a workstation, examining crude displays of telemetry bits organized in various ways, trying to determine the status of a spacecraft. Understanding the data often required additional levels of GDS expertise, or worse, transformation of the raw data into alternative formats followed by ingestion into other tools so that the data became meaningful. The primary focus was often to answer these types of questions: "Why did this particular frame fail Reed-Solomon decode? Why did this packet get marked as invalid? Why am I missing a block of telemetry from my query?" -- which are completely valid questions to ask from a GDS Engineer's point of view, and large families of tools have been designed to help answer these questions. But these are not the questions that most users care about - which are more like: "Why is the battery state of charge trending down? Show me a summary image report for the last traverse to the target. Show me a data accountability summary for the last DSN pass." Answers to these questions, which are what users are looking for, requires a higher level of abstraction and supporting tools than mining through ones and zeros. JPL has created a next generation capability called the Mission Data Processing and Control System (MPCS) which is designed to support this higher level of abstraction by providing customizable views of the ground system combining collections of lower level information into more meaningful ways. Instead of examining frames, packets, and individual telemetry data points -- MPCS is capable of providing comprehensive summary reports, product status, overall flight/ground event status, as well as payload health summaries. Based on these higher level views, end users can make tactical or strategic decisions, or drop into detailed analysis as needed. System designers need to continue building systems that support low level GDS troubleshooting - but the basic design of a GDS should be geared towards what end users actually need to see. This paper will describe the capabilities of MPCS that directly support these higher levels of abstraction, and which are being used today in missions such as the Mars Science Laboratory and other NASA missions.

MPCS↗

Search for heavy long-lived charged particles with large ionization energy loss in proton-proton collisions at $$ \sqrt{s} $$ = 13 TeV

Abstract A search for heavy, long-lived, charged particles with large ionization energy loss within the silicon tracker of the CMS experiment is presented. A data set of proton-proton collisions at a center of mass energy at $$ \sqrt{s} $$ s = 13 TeV, collected in 2017 and 2018 at the CERN LHC, corresponding to an integrated luminosity of 101 fb −1, is used in this analysis. Two different approaches for the search are taken. A new method exploits the independence of the silicon pixel and strips measurements, while the second method improves on previous techniques using ionization to determine a mass selection. No significant excess of events above the background expectation is observed. The results are interpreted in the context of the pair production of supersymmetric particles, namely gluinos, top squarks, and tau sleptons, and of the Drell-Yan pair production of fourth generation (τ′) leptons with an electric charge equal to or twice the absolute value of the electron charge (e). An interpretation of a Z’ boson decaying to two τ′ leptons with an electric charge equal to 2e is presented for the first time. The 95% confidence upper limits on the production cross section are extracted for each of these hypothetical particles.

Hayrapetyan, A. [Yerevan Physics Institute]↗

First Measurement Of Charged-current 1 Muon 2 Proton 0 Pion Single Differential Cross-sections On Argon-40 At 0.8 Gev Average Neutrino Energy With The MicroBooNE Detector

Constraining systematic uncertainties that arise from neutrino-nucleon cross-section modeling is critical for upcoming neutrino oscillation experiments. Neutrino interactions that lead to the ejection of 2 particles from the target nucleus, leaving the nucleus with 2 holes, are one cross-section of interest. These instances, known as 2-particle 2-hole (2p2h) states, can be produced either by neutrino interaction modes or from the influence of nuclear physics on the neutrino interaction. While there are many theoretical models that attempt to describe the nature of 2p2h states, very few experimental measurements of this process exist, making it difficult to benchmark theoretical calculations. Furthermore, no high statistic cross-section measurements of 2p2h states exist on $^{40}$Ar, the target nucleus of many current and next generation neutrino oscillation experiments. This analysis aims to address this issue by providing the first high-statistic single differential cross-section me asurements of 2p2h states. Using data collected from the first 3 years of running of the MicroBooNE experiment, we select $\nu_\mu$ charged-current interaction events that produce a single muon, 2 protons, and no pions in the final state (CC1$\mu$2p0$\pi$). The single differential cross-section is then extracted as a function of a variety of physics variables and compared to theoretical predictions from several event generator model sets.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Representations and strategies for transferable machine learning improve model performance in chemical discovery

Strategies for machine-learning (ML)-accelerated discovery that are general across material composition spaces are essential, but demonstrations of ML have been primarily limited to narrow composition variations. By addressing the scarcity of data in promising regions of chemical space for challenging targets such as open-shell transition-metal complexes, general representations and transferable ML models that leverage known relationships in existing data will accelerate discovery. Over a large set (~1000) of isovalent transition-metal complexes, we quantify evident relationships for different properties (i.e., spin-splitting and ligand dissociation) between rows of the Periodic Table (i.e., 3d/4d metals and 2p/3p ligands). We demonstrate an extension to the graph-based revised autocorrelation (RAC) representation (i.e., eRAC) that incorporates the group number alongside the nuclear charge heuristic that otherwise overestimates dissimilarity of isovalent complexes. To address the common challenge of discovery in a new space where data are limited, we introduce a transfer learning approach in which we seed models trained on a large amount of data from one row of the Periodic Table with a small number of data points from the additional row. We demonstrate the synergistic value of the eRACs alongside this transfer learning strategy to consistently improve model performance. Analysis of these models highlights how the approach succeeds by reordering the distances between complexes to be more consistent with the Periodic Table, a property we expect to be broadly useful for other material domains.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Understanding particle size effect on fast-charging behavior of graphite anode using ultra-thin-layer electrodes

Extreme fast charging (≤ 15 min) of lithium-ion batteries is highly desirable to accelerate mass-market adoption of electric vehicles. However, significant capacity fading, as well as safety issues due to the lithium plating caused by the fast charging rate, limit its implementation. In this study, we investigated the fast-charging capability of graphite materials with various particle sizes. To eliminate the Li + ion concentration gradient effect across the thickness of the electrode, ultra-thin-layer graphite electrodes were developed to investigate the "real" fast-charging capability of graphite at the particle level. Electrochemical assessments as well as microscopic characterizations revealed that smaller particles exhibited superior fast-charging performance, featuring enhanced capacity reversibility, faster charging rate, and less lithium plating under the same fast-charging conditions. It is shown that small-particle graphite (mean radius of 3.3 μm) could withstand a 4C charge (to 80 % state-of-charge) without plating, with minimal plating occurring at 6C. Thicker particles exhibited plating at lower C-rates. Since the experimental data could not directly explain whether intra-particle diffusion limitations or interfacial reaction limitations dominated the plating mechanism, the pseudo-2-dimensional model was used to evaluate the most likely plating mechanism. The model suggested that particle-level diffusion is the dominant mechanism contributing to plating at high rates. Finally, this work provides comprehensive insights into the particle size effects on fast-charging capability, offering a better understanding of fast-charging behavior and valuable guidance for designing optimal electrode architecture for high-rate lithium-ion batteries.

25 ENERGY STORAGE↗

STEPs-SOL, a Peptoid Force Field Parameterization to Include Solvent Effects

As peptoids (N-substituted glycines) continue to gain popularity as a class of biomimetic polymers, the importance and demand for accurate force fields in molecular simulations also grow. Building on the vacuum-optimized Systematic and Extensible Force Field for Peptoids (STEPs) force field, here we present STEPs-SOL, a novel peptoid force field parametrization that effectively incorporates solvent effects to enhance the accuracy of peptoid simulations. The development of STEPs-SOL is based on the need for precise electrostatic modeling achieved through solvent-specific partial charge optimization. Here, our systematic approach significantly improves agreement with experimental measurements, reducing the mean absolute error in cis/trans ratio predictions (ΔG c/t ) by an average of 38% across multiple peptoid residues and solvent environments. This improved parametrization addresses computational challenges associated with nonbonded energies while maintaining a workflow that relies on high-level quantum mechanical data rather than depending solely on limited experimental equilibrium properties. By evaluating the effects of conformational bias in restrained electrostatic potential (RESP) charge generation and examining their impact on peptoid conformations in various solvents, we enhance our understanding of peptoid structural dynamics while providing a more accurate modeling framework.

force field↗

Geomagnetic Storm Effects on Ionospheric Irregularities: Insights from SuperDARN, Madrigal GPS TEC, and ISR Data [Slides]

Geomagnetic disturbances trigger an influx of electrons from the magnetosphere, leading to an increase electron density (even in lower altitudes), amplified ionospheric currents, and subsequently, increased conductance. A surge in the AE index, indicating heightened auroral currents, correlates with a rise in precipitated charged particles, including electrons, into the polar ionosphere. This correlation is detectable through increased parameter values measured by SuperDARN. The downward flow of electron density towards lower altitudes, as observed in PFISR data, potentially obstructs the transmission frequency from radar stations passing through the PFISR location (just like we saw in the KOD station). During the geomagnetic storm, there is increased backscatter power (increased amount of ionospheric irregularities), and the plasma flow draws closer to the radar, suggesting a possible southward shift in the auroral oval as a result of the heightened auroral activity. Increased geomagnetic activity correlates with an elevation in average TEC and induces the occurrence of SED (Storm Enhanced Density).

58 GEOSCIENCES↗

Enhanced Performance of Silicon Anodes through Hybrid Surface Engineering

Silicon (Si) is a promising anode material for nextgeneration lithium-ion batteries (LIBs) due to its high theoretical capacity. However, Si-containing anodes typically suffer from unacceptably short lives because of the unrestricted growth of the solid electrolyte interphase (SEI). Here, in this study, hybrid surface coatings are developed to stabilize the SEI in high loading pure Si anodes using atomic and molecular layer deposition. The coatings, consisting of LiF paired with lithicone, create an ionically conductive surface that enhances the capacity retention, rate performance, and longevity. Careful binder selection helps demonstrate the full utility of the coatings by enabling high loading electrodes to cycle continuously at current densities of 1200 mA/g Si . Uncoated controls, in comparison, fail within just 10 cycles at lower loadings. X-ray photoelectron spectroscopy and electrochemical impedance spectroscopy are used to provide supporting evidence of the coating composition and efficacy. The data indicate that our lithicone coating is converted to Li 2 CO 3 upon cycling contributing to favorable LiF/Li 2 CO 3 interfaces that enhance the space-charge effect at the active material’s surface. When applied to electrodes made with thermally stable binders and increasingly higher loadings (approaching 5 mAh/cm 2 ), ion transport through the bulk electrode, rather than SEI growth, is shown to be the limiting factor. Furthermore, data suggests a favorable interaction between lithicone precursors and poly(acrylic acid) binders mitigates thermal decomposition at higher temperatures. The work presented here represents the successful realization of composite coatings containing LiF/Li 2 CO 3 components to stabilize high-loading Si anodes. This work helps inform advanced surface engineering strategies to achieve highly reversible, high-capacity Si anodes capable of fast charging for high-performance LIBs.

atomic layer deposition↗

Satellites, core hole excitations, and spin-resolved electronic structure in the spectroscopy of half-metallic CrO 2

Photoelectron satellites—the structures appearing on the low kinetic or high binding-energy side of the “main” or “elastic” photopeak—betray the complex many-body interactions set in motion by the sudden creation of the core hole. In this work, we demonstrate, using the technologically important ferromagnetic half-metal CrO 2 , how such satellites can manifest themselves in other core-level spectroscopies of the material and how they can reveal important details pertinent to its electronic structure. Specifically, we identify a fluorescence satellite in the Cr 𝐿 3 resonant x-ray-emission spectra that radiates at a constant emission energy across the Cr 𝐿 3 x-ray edge with energy ≈1.3 eV above the ordinary valence fluorescence. Here, we provide evidence that this feature arises from the valence recombination of the Cr 2⁢𝑝 core hole “dressed” by the same shakeup charge-transfer process present in both the Cr x-ray photoelectron and the Cr x-ray absorption spectra with its energy uniquely measuring the exchange splitting of the Cr 3⁢𝑑 level. Further analysis of the x-ray emission data reveals three additional features that radiate at constant loss energy that are attributed to combinations of Cr 3⁢𝑑⁢(𝑡 2⁢𝑔 ) → Cr 3⁢𝑑⁢(𝑡 2⁢𝑔 ), charge-transfer O 2⁢𝑝→Cr 3⁢𝑑, and crystal-field Cr⁢ 3⁢𝑑⁡(𝑡 2⁢𝑔 )→Cr⁢ 3⁢𝑑⁡(𝑒 𝑔 ) excitations. These assignments and their energies are supported by density-functional theory calculations, the accuracy of which we demonstrate by hard x-ray valence-photoemission measurements. Atomic multiplet calculations, which include crystal-field effects, help interpret x-ray photoelectron and x-ray absorption spectra of the covalently mixed Cr ion. Resonant Cr K-𝐿 2,3 ⁢𝐿 2,3 Auger-electron emission spectra support a ligand-to-metal nature of the charge-transfer process while highlighting the charge sensitivity differences between photon-in/electron-out and photon-in/photon-out spectroscopies.

36 MATERIALS SCIENCE↗

Electric Vehicle Adoption in Illinois

Over 1.3 million plug-in electric vehicles (PEVs) have been sold in the United States since 2010 when the first Chevy Volt and Nissan Leaf vehicles came on the market. Currently, electric vehicles account for about 2% of monthly light-duty vehicle (LDV) sales. More than 40 different electric vehicle models are actively being marketed, and most of these are LDVs. Over the last few years, automakers have brought more models, with varying mileage ranges, to the market, including medium-duty and heavy-duty trucks and buses. Government agencies at the federal, regional, and state levels, as well as utilities across the United States, have provided financial and non-financial incentives to promote electric vehicle adoption and charging infrastructure deployment. Argonne National Laboratory, sponsored by the U.S. Department of Energy, has developed tools and collected data to quantify the energy, economic, and environmental benefits of electric vehicles. This project has three objectives. First, we summarize the policies and other actions of the federal government, various states/regions, and utilities to promote PEV adoption, and evaluate their relative effectiveness based on a review of the literature. Second, we identify possible PEV adoption paths or scenarios that would result in PEVs making up 15% of all on-road vehicles in Illinois, and we quantify the resulting impacts on petroleum consumption and electricity demand. We also summarize the possible reduction in greenhouse gas (GHG) and criteria pollutant emissions due to PEV adoption. The PEV scenarios include private and public adoption of electric cars, light trucks (e.g., sports utility vehicles [SUVs], vans, pickups), medium-duty vehicles (MDVs), and heavy-duty vehicles (HDVs). Third, we estimate hourly charging loads of light-duty PEVs in 2030 associated with these scenarios, incorporating assumptions about vehicle electric range, efficiency, and travel behavior.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Farfield Plume Measurement and Analysis on the NASA-300M

NASA is developing a 15-kW Hall thruster to support future NASA missions. This activity is funded under the Space Technology Mission Directorate Solar Electric Propulsion Technology Demonstration project. As a part of the development process, the far-field plume characteristics of the NASA-300M, a 20-kW Hall thruster, were studied. The results will be used to study how various aspects of the operation of this thruster affect the overall performance. This data will be used to guide future design work and serve as a baseline for comparison to a magnetically shielded version of the NASA-300M that will be tested in the future. For this study, a far-field Faraday probe was swept in a polar fashion to map the ion current density. An ExB probe (Wien filter), two retarding potential analyzers, and a Langmuir probe were mounted at a fixed location on the thruster axis in the far-field plume. The data reduction method followed recommendations in recent studies by Brown, Reid, and Shastry with modifications that are tailored to the plasma plume environment of high-power Hall thrusters. Results from this and prior testing show that the plume is richer in doubly-charged ions, larger in spatial extent, and capable of greater probe heating than lower power thrusters. These characteristics require special treatment in experimental setup and data analysis, which will be the main focus of this paper. In particular, covered topics will include a new, more accurate, method of integration for analysis of the ExB probe data and effect of secondary electron emission on the Faraday probe data.

Huang, Wensheng↗

Numerical Investigation of High Delta T Sensible Storage Integrated CO2 Heat Pump: Preprint

To assist building heating electrification, this paper numerically investigates a load flexible heat pump system for commercial buildings. The system consists of a CO2 vapor compression cycle, a sensible thermal storage tank, and an air handling unit. The thermal storage medium is inexpensive, non-toxic and stable anti-freeze solution (30% potassium acetate). The air handing unit has an indoor coil and a ventilation coil. The system can be used to manage building electric load. During peak hours, the heat pump is off and the hot solution water is discharged from the tank to heat up the indoor air and ventilation air. During the hour of charge, the heat pump delivers hot solution water to the tank and to the air. The tank can also stand by while the heat pump provides space heating directly. We selected a medium sized office building located in Minnesota as the representative building and used EnergyPlus to obtain its 24 hour load data. We designed three storage tank volumes assuming 50 degrees C, 65 degrees C and 80 degrees C tank temperatures to independently provide the building load for 4 hours in the morning. The higher the tank temperature, the smaller the required volume, and thus higher energy density. The effective energy density is 78 with an 80 degrees C tank, and 40 kWhth/m3 with 50 degrees C. We simulated the tank integrated heat pump performance subjected to the 24-hour building load profile and ambient data. The baseline is the same system without storage tank. There was a trade-off between the storage energy density and the charging COP. The charge hour COP was 2.77 to charge the tank to 80 degrees C, and 3.01 to 50 degrees C. The proposed system could shift building load from the peak hours (8:00 - 12:00) to off-business hour (23:00 - 7:00+1). It eliminated 100% compressor electricity use during the peak hours, and avoided a peak electric power of 34 kW. The 65 degrees C tank saved 9.5 kWhe (4%) considering all day operation, which was the best balance between energy density and the system operation efficiency among the three options.

CO2 heat pump↗

Measurements of $\textrm{t}\overline{\textrm{t}}\textrm{W}$ differential cross sections and the leptonic charge asymmetry at $\sqrt{s}=13$ TeV

Measurements of properties of top quark-antiquark pair production in association with a W boson in proton-proton collisions at a center-of-mass energy of 13 TeV are presented, using a data sample corresponding to an integrated luminosity of 138 fb −1 , recorded by the CMS experiment at the CERN LHC. Events are selected based on the presence of either two leptons with the same electric charge or three leptons, and multiple jets and b-tagged jets. We present measurements of differential production cross sections as a function of kinematic variables sensitive to different aspects of the process modeling, using a multivariate discriminator in the two-lepton selection region and a simple selection-based method in the three-lepton region. The normalized cross section measurements are generally consistent with the standard model expectations, while we observe larger values compared to the expectations in the absolute cross section measurements, consistent with previous inclusive cross section measurements. In addition, we measure the leptonic charge asymmetry of this process, obtaining an observed value of ${A}_c^{\ell }=-{0.19}_{-0.18}^{+0.16}$, consistent with the expectation of −0.085 ± 0.006 predicted by next-to-leading order simulations.

Hadron-Hadron Scattering↗

Search for lepton-flavor-violating τ – → μ – μ + μ – decays at Belle II

We present the result of a search for the charged-lepton-flavor violating decay τ – → μ – μ + μ – using a 424 fb –1 sample of data recorded by the Belle II experiment at the SuperKEKB e + e – collider. The selection of e + e – → τ + τ – events is based on an inclusive reconstruction of the non-signal tau decay, and on a boosted decision tree to suppress background. We observe one signal candidate, which is compatible with the expectation from background processes. We set a 90% confidence level upper limit of 1.9 × 10 –8 on the branching fraction of the τ – → μ – μ + μ – decay, which is the most stringent bound to date.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Single-photon absorption and emission from a natural photosynthetic complex

Photosynthesis is generally assumed to be initiated by a single photon from the Sun, which, as a weak light source, delivers at most a few tens of photons per nanometre squared per second within a chlorophyll absorption band1. Yet much experimental and theoretical work over the past 40 years has explored the events during photosynthesis subsequent to absorption of light from intense, ultrashort laser pulses. Here, we use single photons to excite under ambient conditions the light-harvesting 2 (LH2) complex of the purple bacterium Rhodobacter sphaeroides, comprising B800 and B850 rings that contain 9 and 18 bacteriochlorophyll molecules, respectively. Excitation of the B800 ring leads to electronic energy transfer to the B850 ring in approximately 0.7 ps, followed by rapid B850-to-B850 energy transfer on an approximately 100-fs timescale and light emission at 850–875 nm. Using a heralded single photon source20,21 along with coincidence counting, we establish time correlation functions for B800 excitation and B850 fluorescence emission and demonstrate that both events involve single photons. We also find that the probability distribution of the number of heralds per detected fluorescence photon supports the view that a single photon can upon absorption drive the subsequent energy transfer and fluorescence emission and hence, by extension, the primary charge separation of photosynthesis. An analytical stochastic model and a Monte Carlo numerical model capture the data, further confirming that absorption of single photons is correlated with emission of single photons in a natural light-harvesting complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Characterization of the structural forces governing the reversibility of the thermal unfolding of the human acidic fibroblast growth factor

Human acidic fibroblast growth factor (hFGF1) is an all beta-sheet protein that is involved in the regulation of key cellular processes including cell proliferation and wound healing. hFGF1 is known to aggregate when subjected to thermal unfolding. In this study, we investigate the equilibrium unfolding of hFGF1 using a wide array of biophysical and biochemical techniques. Systematic analyses of the thermal and chemical denaturation data on hFGF1 variants (Q54P, K126N, R136E, K126N/R136E, Q54P/K126N, Q54P/R136E, and Q54P/K126N/R136E) indicate that nullification of charges in the heparin-binding pocket can significantly increase the stability of wtFGF1. Triple variant (Q54P/K126N/R136E) was found to be the most stable of all the hFGF1 variants studied. With the exception of triple variant, thermal unfolding of wtFGF1 and the other variants is irreversible. Thermally unfolded triple variant refolds completely to its biologically native conformation. Microsecond-level molecular dynamic simulations reveal that a network of hydrogen bonds and salt bridges linked to Q54P, K126N, and R136E mutations, are responsible for the high stability and reversibility of thermal unfolding of the triple variant. In our opinion, the findings of the study provide valuable clues for the rational design of a stable hFGF1 variant that exhibits potent wound healing properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Complications in the interpretation of the charge-asymmetry-dependent π flow for the chiral magnetic wave

The charge asymmetry ($A_ch$) dependence of the $π^₋$ and $π^+$ elliptic flow difference, $Δv_2(A_{\text{ch}})$, has been regarded as a sensitive observable for the possible chiral magnetic wave (CMW) in relativistic heavy ion collisions. In this work, we first demonstrate that, due to nonflow backgrounds, the flow measurements by the Q-cumulant method using all charged particles as reference introduce a trivial linear term to $Δv_2(A_{\text{ch}})$. The trivial contribution to the slope of triangle flow difference $Δv_3( A_{\text{ch}})$ can be negative if the nonflow is dominated by back-to-back pairs. After eliminating the trivial term, we find that the nonflow between like-sign pairs gives rise to an additional positive slope to $Δv_2(A_{\text{ch}})$ because of the larger multiplicity dilution to $π^+$ ($π^₋$) at positive (negative) $A_{\text{ch}}$. We further find that the competition between different π sources can introduce another nontrivial linear-$A_{\text{ch}}$ term due to their different multiplicity fluctuations and anisotropic flows. We then study the effect of neutral cluster (resonance) decays as a mechanism for local charge conservation on the slope parameter of $Δv_2(A_{\text{ch}})$. We find that the slope parameter is sensitive to the kinematics of those neutral clusters. Light resonances give positive slopes while heavy resonances give negative slopes. Local charge conservation from continuum cluster mass distribution can give a positive slope parameter comparable to experimental data. Our studies indicate that many non-CMW physics mechanisms can give rise to a $A_{\text{ch}}$-dependent $Δv_2(A_{\text{ch}})$ and the interpretation of $Δv_2(A_{\text{ch}})$ in terms of the CMW is delicate.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗