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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 271 records · Page 15

Light neutral-meson production in pp collisions at $\sqrt{\text{s}}$ = 13 TeV

The momentum-differential invariant cross sections of π 0 and η mesons are reported for pp collisions at $\sqrt{s}$ = 13 TeV at midrapidity (|y| < 0.8). The measurement is performed in a broad transverse-momentum range of 0.2 < p T < 200 GeV/c and 0.4 < p T < 60 GeV/c for the π 0 and η, respectively, extending the p T coverage of previous measurements. Transverse-mass-scaling violation of up to 60% at low transverse momentum has been observed, agreeing with measurements at lower collision energies. Transverse Bjorken x (x T ) scaling of the π 0 cross sections at LHC energies is fulfilled with a power-law exponent of n = 5.01 ± 0.05, consistent with values obtained for charged pions at similar collision energies. The data are compared to predictions from next-to-leading order perturbative QCD calculations, where the π 0 spectrum is best described using the CT18 parton distribution function and the NNFF1.0 or BDSS fragmentation function. Expectations from PYTHIA8 and EPOS LHC overestimate the spectrum for the π 0 and are not able to describe the shape and magnitude of the η spectrum. The charged-particle multiplicity dependent π 0 and η p T spectra show the expected change of the spectral shape, characterized by a flatter slope with increasing multiplicity. This is demonstrated across a broad transverse-momentum range and up to events with a charged-particle multiplicity exceeding five times the mean value in minimum bias collisions. The η/π 0 ratio depends on the charged-particle multiplicity for p T < 4 GeV/c. PYTHIA8 and EPOS LHC qualitatively explain this behavior with an increasing contribution from the feed-down of heavier particles to the π 0 spectrum.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The Role of Spin–Orbit Coupling in the Linear Absorption Spectrum and Intersystem Crossing Rate Coefficients of Ruthenium Polypyridyl Dyes

The successful use of molecular dyes for solar energy conversion requires efficient charge injection, which in turn requires the formation of states with sufficiently long lifetimes (e.g., triplets). The molecular structure elements that confer this property can be found empirically, however computational predictions using ab initio electronic structure methods are invaluable to identify structure-property relations for dye sensitizers. The primary challenge for simulations to elucidate the electronic and nuclear origins of these properties is a spin-orbit interaction which drives transitions between electronic states. Here, in this work, we present a computational analysis of the spin-orbit corrected linear absorption cross sections and intersystem crossing rate coefficients for a derivative set of phosphonated tris(2,2'-bipyridine)ruthenium(2+) dye molecules. After sampling the ground state vibrational distributions, the predicted linear absorption cross sections indicate that the mixture between singlet and triplet states plays a crucial role in defining the line shape of the metal-to-ligand charge transfer bands in these derivatives. Additionally, an analysis of the intersystem crossing rate coefficients suggests that transitions from the singlet into the triplet manifolds are ultrafast with rate coefficients on the order of 10 13 s -1 for each dye molecule.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Magnetic charge and geometry confluence for ultra-low forward voltage diode in artificial honeycomb lattice

We report spin diode is important prerequisite to practical manifestation of spin electronics. Yet, a functioning magnetic diode at room temperature is still illusive. Here, we reveal diode-type phenomena due to magnetic charge mediated conduction in artificial honeycomb geometry, made of concave shape single domain permalloy element. We find that honeycomb lattice defies symmetry by populating vertices with low and high multiplicity magnetic charges, causing asymmetric magnetization, in applied current of opposite polarity. High multiplicity units create highly resistive network, thereby inhibiting magnetic charge dynamics propelled electrical conduction. However, practical realization of this effect requires modest demagnetization factor in constituting element. Concave structure fulfills the condition. Subsequently, magnetic diode behavior emerges across broad thermal range of T = 40 K–300 K. The finding is a departure from the prevailing notion of spin-charge interaction as the sole guiding principle behind spintronics. Consequently, a new vista, mediated by magnetic charge interaction, is envisaged for spintronic research.

36 MATERIALS SCIENCE↗

Discovery of Charge Order and Corresponding Edge State in Kagome Magnet FeGe

Kagome materials often host exotic quantum phases, including spin liquids, Chern gap, charge density wave, and superconductivity. Existing scanning microscopy studies of the kagome charge order have been limited to nonkagome surface layers. Here, we tunnel into the kagome lattice of FeGe to uncover features of the charge order. Our spectroscopic imaging identifies a 2×2 charge order in the magnetic kagome lattice, resembling that discovered in kagome superconductors. Spin mapping across steps of unit cell height demonstrates the existence of spin-polarized electrons with an antiferromagnetic stacking order. We further uncover the correlation between antiferromagnetism and charge order anisotropy, highlighting the unusual magnetic coupling of the charge order. Finally, we detect a pronounced edge state within the charge order energy gap, which is robust against the irregular shape fluctuations of the kagome lattice edges. Here, we discuss our results with the theoretically considered topological features of the kagome charge order including unconventional magnetism and bulk-boundary correspondence.

36 MATERIALS SCIENCE↗

Manipulating strong electromagnetic fields with the average transverse momentum of relativistic nuclear collisions

Abstract We show that an event-shape engineering based on the mean transverse momentum of charged hadrons, $$[p_t]$$ [ p t ] , provides an optimal handle on the strength of the magnetic field created in central heavy-ion collisions at high energy. This is established through quantitative evaluations of the correlation existing between the event-by-event magnetic field produced by the spectator protons in 5.02 TeV Pb + Pb collisions and the event-by-event $$[p_t]$$ [ p t ] at a given collision centrality. We argue that the event selection based on $$[p_t]$$ [ p t ] provides a better handle on the magnetic field than the more traditional selection based on the event ellipticities. Advantages brought by this new method for the experimental search of the chiral magnetic effect are discussed.

Giacalone, Giuliano (ORCID:0000000287761034)↗

How Does Water Dissociation Work in Bipolar Membranes?

Bipolar membranes (BPMs) create counteracting spatial gradients of pH and electrostatic potential in electrochemical systems, enabling applications in pH regulation, electrocatalysis, and separations. At the polarized junction of a BPM the water dissociation (WD, 2H2O ⇌ H3O+ + OH-) reaction can be driven, but it remains poorly understood. In this Perspective, we integrate molecular insights from bulk-water autoionization and the associated field effects with continuum descriptions of BPM electrostatics and experimental WD kinetic analyses to describe possible mechanisms of voltage-driven WD. Pristine BPM junctions highlight both the limits of primarily electric-field-driven WD and the practical challenges of junction stability at extreme reverse bias. Introducing heterogeneous catalyst layers, commonly metal oxides and graphene oxides, accelerates WD by orders of magnitude through hypothesized coupled effects in which surface acid-base functionality and high-density hydroxyl sites mediate proton-transfer steps, and catalyst mobile electronic/ionic charges redistribute the junction electric potential drop to shape the local electric fields and reactive microenvironments. Kinetic analyses suggest two regimes of heterogeneous WD mechanism, including field-driven ordering of interfacial water and a Second-Wien-Effect dissociation-barrier lowering. We conclude by defining the key unknown variables (local pH, electrostatic potential, catalyst charge state and relationships among mechanisms) and outlining experimental and multiscale modeling strategies needed for predictive WD catalysis and for controlling related ion-transfer reactions.

Wu, Yifan↗

Probing the chiral magnetic wave with charge-dependent flow measurements in Pb-Pb collisions at the LHC

The Chiral Magnetic Wave (CMW) phenomenon is essential to provide insights into the strong interaction in QCD, the properties of the quark-gluon plasma, and the topological characteristics of the early universe, offering a deeper understanding of fundamental physics in high-energy collisions. Measurements of the charge-dependent anisotropic flow coefficients are studied in Pb-Pb collisions at center-of-mass energy per nucleon-nucleon collision $\sqrt{s_{\textrm{NN}}}$ = 5.02 TeV to probe the CMW. In particular, the slope of the normalized difference in elliptic (v 2 ) and triangular (v 3 ) flow coefficients of positively and negatively charged particles as a function of their event-wise normalized number difference, is reported for inclusive and identified particles. The slope ${r}_3^{\textrm{Norm}}$ is found to be larger than zero and to have a magnitude similar to ${r}_2^{\textrm{Norm}}$, thus pointing to a large background contribution for these measurements. Furthermore, ${r}_2^{\textrm{Norm}}$ can be described by a blast wave model calculation that incorporates local charge conservation. In addition, using the event shape engineering technique yields a fraction of CMW (f CMW ) contribution to this measurement which is compatible with zero. This measurement provides the very first upper limit for f CMW , and in the 10–60% centrality interval it is found to be 26% (38%) at 95% (99.7%) confidence level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

High-purity germanium semiconductor modeling in the detector response function toolkit

In this study, we have extended the detector response function toolkit (DRiFT) to provide modeling capabilities of semiconductor sensors. DRiFT provides realistic nuclear instrumentation response by post-processing Monte-Carlo N-particle (MCNP®) radiation transport outputs. MCNP® is capable of modeling radiation transport in complex environments, but has limited detector physics and readout electronics modeling capabilities. Semiconductor detector response can be calculated with a high-fidelity for a flexible range of environments by utilizing MCNP® to simulate radiation interactions inside of detector volumes, and then using DRiFT to model charge transport and signal formation in the semiconductor, as well as the readout electronics. DRiFT models charge transport in the semiconductor, the preamplifier, shaping amplifier, pulse pile-up, and electronic noise to generate detector response. The semiconductor application in DRiFT can model a range of semiconductor materials, shapes, and sizes; and is demonstrated here for a large volume coaxial high-purity germanium (HPGe) detector. Here, we compare detector response functions of a coaxial HPGe detector with measurement of 60 Co, 133 Ba, and 137 Cs at varying count rates, and we conduct a parameter study to demonstrate the effect of changing parameters in the DRiFT simulation. The HPGe detector response function shows excellent agreement with measurements of difference sources with varying dead times and count rates.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

OPTIMIZATION OF COOLING DISTRIBUTION OF THE EIC SHC COOLER ERL

The Electron-Ion Collider (EIC) Hadron Storage Ring (HSR) will use strong hadron cooling to maintain the beam brightness and high luminosity during long collision ex?periments. An Energy Recovery Linac is used to deliver the high-current high-brightness electron beam for cooling. For the best cooling effect, the electron beam requires low emittance, small energy spread, and uniform longitudinal distribution. In this work, we simulate and optimize the longitudinal laser-beam distribution shaping at the photo?cathode, modeling space charge forces accurately. Machine parameters such as RF cavity phases are optimized in con?junction with the beam distribution using a genetic optimizer. We demonstrate improvement of the cooling distribution in key parameters.

Wang, N.↗

A Double Sided LGAD-Based Detector Providing Timing, Position, and Track Angle Information

We describe a detector concept which combines small pixels enabled by 3D sensor-electronics integration with gain produced by a Low Gain Avalanche Diode (LGAD) layer. The detector is double-sided, with electrons collected by the cathode, which provides timing information, and an anode with small pixels to provide position and angle information. The cathode can be coarse grained, providing timing with fewer fast amplifiers to limit power consumption. The anode layer benefits from the gain of the LGAD, with larger signals that also limit the power needed. Position can be reconstructed by measuring the pattern of total charge deposited on the anode. Angle and depth of charge deposit can be measured by the shapes of the anode pulses. We describe a possible assembly technology based on 3D integration.

3D Integration↗

Between Harmonic Crystal and Glass: Solids with Dimpled Potential-Energy Surfaces Having Multiple Local Energy Minima

Solids with dimpled potential-energy surfaces are ubiquitous in nature and, typically, exhibit structural (elastic or phonon) instabilities. Dimpled potentials are not harmonic; thus, the conventional quasiharmonic approximation at finite temperatures fails to describe anharmonic vibrations in such solids. At sufficiently high temperatures, their crystal structure is stabilized by entropy; in this phase, a diffraction pattern of a periodic crystal is combined with vibrational properties of a phonon glass. As temperature is lowered, the solid undergoes a symmetry-breaking transition and transforms into a lower-symmetry phase with lower lattice entropy. Here, we identify specific features in the potential-energy surface that lead to such polymorphic behavior; we establish reliable estimates for the relative energies and temperatures associated with the anharmonic vibrations and the solid–solid symmetry-breaking phase transitions. We show that computational phonon methods can be applied to address anharmonic vibrations in a polymorphic solid at fixed temperature. To illustrate the ubiquity of this class of materials, we present a range of examples (elemental metals, a shape-memory alloy, and a layered charge-density-wave system); we show that our theoretical predictions compare well with known experimental data.

36 MATERIALS SCIENCE↗

Time effect of erosion by solid particle impingement on ductile materials

Erosion and morphological studies of several metals and alloys eroded by normal impingement jets of spherical glass beads and angular crushed-glass erodent particles were conducted. Erosion morphology (the width, depth, and width-depth ratio of the pit) was studied in order to fully investigate the effect of time on erosion rate. The eroded surfaces were studied with a scanning electron microscope, and surface profiles were measured with a profilometer. A large amount of experimental data reported in the literature was also analyzed in order to understand the effect of variables such as the type of device, the erodent particle size and shape, the impact velocity, and the abrasive charge on erosion-rate-versus-time curves. In the present experiments the pit-width-versus-time or pit-depth-versus-time curves were similar to erosion-versus-time curves for glass-bead impingement. The pit-depth-rate-versus-time curves were similar to erosion-rate-versus-time curves for crushed-glass impingement. Analysis of experimental data with two forms of glass resulted in four types of erosion-rate-versus-time curves: (1) incubation, acceleration, and steady-state periods (type I), (2) incubation, acceleration, deceleration, and steady-state periods (type III), (3) incubation, acceleration, peak rate, and deceleration periods (type IV), and (4) incubation, acceleration, steady-state, and deceleration periods (type V).

Rao, P. V.↗

High-Sensitivity Ionization Trace-Species Detector

Features include high ion-extraction efficiency, compactness, and light weight. Improved version of previous ionization detector features in-line geometry that enables extraction of almost every ion from region of formation. Focusing electrodes arranged and shaped into compact system of space-charge-limited reversal electron optics and ion-extraction optics. Provides controllability of ionizing electron energies, greater efficiency of ionization, and nearly 100 percent ion-collection efficiency.

Bernius, Mark T.↗

Mechanically activated and deactivated ion transport across nanopores with heterogeneous surface charge distributions

To mimic the intricate and adaptive functionalities of biological ion channels, electrohydrodynamic ion transport has been studied extensively, albeit mostly, across uniformly charged nanochannels. Here, we analyze the ion transport under coupled electric field and pressure across heterogeneously charged nanopores with oppositely charged sections on their lateral surface. We only consider such pores with symmetric hourglass-like and cylindrical shapes to focus on the effects of the non-uniform surface charge distribution. Finite-element simulations of a continuum model demonstrate that a pressure applied in either direction of the pore-axis equally suppresses or amplifies the ionic conductance, depending on the electric field polarity, by distorting the quasi-static distribution of ions in the pore. The resulting anomalous mechanical deactivation and activation of ionic current under opposite voltage biases exhibit the functional modularity of our setup, while their intensities are highly tunable, substantially greater than those of analogous behaviors in other nanochannels, and fundamentally correlated to ionic current rectification (ICR) in our pores. A detailed study of ICR subsequently reveals its counterintuitive non-monotonous variations, in the pores, with the magnitude of applied voltage and the pore length, that can help optimize their diode-like behavior. We further illustrate that while the hourglass-shaped nanopores yield the more efficient mechanical suppressors of ion transport, their cylindrical analogs are the superior rectifiers and mechanical amplifiers of ion conduction. Therefore, this article provides a blueprint for the strategic design of nanofluidic circuits to attain a robust, modular, and tunable control of ion transport under external electrical and mechanical stimuli.

Physics↗

GridPIQ Reference Data

GridPIQ uses dozens of publicly available datasets to provide context for a user's grid project, as well as defaults for users to choose from. Users can choose to import their own data to better customize their analysis or use GridPIQ-supplied defaults. This allows users to get up and running with an analysis very quickly without having to spend significant time pulling together input data. To run an electric vehicle (EV) smart charging project, a user will need to provide or select from prepopulated values for the regional load profile shape and peak load, region of interest and closest weather station, EV charging profile, number of EVs to add for the analysis, maximum EV charging power, location of chargers relative to grid infrastructure, and allowable charging times (for coordinated charging mode). The outputs of the analysis are changes in air quality, EV energy consumption, EV peak demand, and EV hourly consumption profile—before and after project implementation." For a detailed description of the tool methodology, including all the publicly available datasets used by the tool, see the [GridPIQ documentation](https://gridpiq.pnnl.gov/v2-beta/doc/).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Compensating slice emittance growth in high brightness photoinjectors using sacrificial charge

Achieving maximum electron beam brightness in photoinjectors requires detailed control of the 3D bunch shape and precise tuning of the beam focusing. Even in state-of-the-art designs, slice emittance growth due to nonlinear space charge forces and partial nonlaminarity often remains non-negligible. In this work, we introduce a new means to linearize the transverse slice phase space: a sacrificial portion of the bunch’s own charge distribution, formed into a wavebroken shock front by highly nonlinear space charge forces within the gun, whose downstream purpose is to dynamically linearize the desired bunch core. We show that linearization of an appropriately prepared bunch can be achieved via strongly nonlaminar focusing of the sacrificial shock front, while the inner core focuses laminarly. This leads to a natural spatial separation of the two distributions: a dense core surrounded by a diffuse halo of sacrificial charge that can be collimated. Multiobjective genetic algorithm optimizations of the ultracompact x-ray free electron laser injector employ this concept, and we interpret it with an analytic model that agrees well with the simulations. In simulation, we demonstrate a final bunch charge of 100 pC, peak current ∼ 30 A, and a sacrificial charge of 150 pC (250 pC total emitted from cathode) with normalized emittance growth of < 20 nm rad due to space charge. This implies a maximum achievable brightness approximately an order of magnitude greater than existing free electron laser injector designs. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗

An analytical method for identifying synergies between behind-the-meter battery and thermal energy storage

Electric utilities build generation capacity to meet the highest demand period, and they often pass on the costs associated with these peaking generators to building owners through demand charges. Building owners can minimize these demand charges by shifting energy use away from peak periods with behind-the-meter storage. This storage can include batteries, which can directly shift the metered load, or thermal energy storage, which can shift thermal-driven electric loads like air conditioning. However, there is a lack of research on how best to combine battery and thermal energy storage. In this study, we develop an analytical sizing method to calculate the potential demand reduction and annualized cost savings for different combinations of thermal and battery energy storage sizes. We show that adding batteries to a thermal energy storage system can increase the total system's load shaving potential. This is particularly true when the building has onsite photovoltaic generation or electric vehicle charging, which add significant variability to the load shape. We also show that for a given total storage size, selecting a higher fraction of thermal energy storage can significantly lower the cycling of the battery, and therefore extend the battery life. This, combined with the expected lower first cost of thermal energy storage materials compared to batteries, shows that hybrid energy storage systems can outperform a standalone battery or standalone thermal storage system. Assuming the thermal storage has a capital cost 6x lower than the battery, our analysis shows that the optimal system is 71% thermal energy storage and 29% battery energy storage for a scenario with electric vehicle charging. The annualized cost savings for this system are $48.6 k/yr, whereas an equivalently sized standalone thermal energy storage system would provide annualized cost savings of $28.5 k/yr and a standalone battery would lead to savings of $8.72 k/yr. The hybrid system also reduces battery cycling by 52% compared to a standalone battery, extending battery lifetime.

25 ENERGY STORAGE↗

Mixed-species charge and baryon balance functions studies with PYTHIA

Mixed species charge and baryon balance functions are computed based on proton-proton ( p p ) collisions simulated with the PYTHIA8 model. Simulations are performed with selected values of the collision energy s and the Monash tune and the ropes and shoving modes of PYTHIA8 to explore whether such measurements provide useful new information and constraints on mechanisms of particle production in p p collisions. Charge balance functions are studied based on mixed pairs of pions, kaons, and protons, whereas baryon balance functions are computed for mixed low mass strange and nonstrange baryons. Both charge and baryon balance functions of mixed particle pairs feature shapes and amplitudes that sensitively depend on the particle considered owing largely to the particle production mechanisms implemented in PYTHIA. The evolution of balance functions integrals with the longitudinal width of the acceptance are presented and one finds that sums of such integrals for a given reference particle obey expected sum rules for both charge and baryon balance functions. Additionally, both types of balance functions are found to evolve in shape and amplitude with increasing collision energy s and the PYTHIA tunes considered. Published by the American Physical Society 2024

Physics↗