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DOE OSTI2024

The mechanical properties of Kel-F 800 (FK-800) as a function of crystallinity

Kel-F 800 is a copolymer of chlorotrifluoroethylene PTFE (75 wt. %) and vinylidene fluoride PVDF (25 wt. %). It has previously been used as a PBX binder for insensitive explosives such as PBX 9502 and LX-17. 3M started production of Kel-F 800 in 1957 and small-scale batches continued to be made until 2002 when production ceased due to environmental concerns regarding one of the emulsifiers used during production. Around 2000 the Kel-F 800 name was changed to FK-800 to avoid trademark concerns because rights to produce another polymer with a similar tradename (Kel-F 81) had been sold to another manufacturer. The Kel designation came from the original manufacturer of PCTFE (Kel-F 81), the Kellog company. To avoid confusion this document will only refer to Kel-F 800. In 2006, production of small-scale batches of Kel-F 800 was started again by 3M in response to customer enquiries. This new material, the first blended batch is referred to as LOT 1, was produced with a different emulsifier than used previously. Because Kel-F 800 is made in a small batch reactor, considerable variation in crystallinity can be expected from lot to lot and year to year. In many ways, this is not significant since the material is dissolved in a solvent (often MEK, ethylmethyl ketone or ethyl acetate) for PBX production purposes. This destroys the as received crystallinity and the resulting crystallinity in the processed material is a function of polymer molecular weight and thermal history. Producing large billets of Kel-F 800 from solvent extraction is not practical and so a compression molding technique has been used above the melting temperature. This method also removes residual crystallinity from the supplied granules. The molecular weight of a polymer can be estimated by several techniques, the most common being gel permittivity chromatography (GPC), size exclusion chromatography (SEC) and shear rheometry measurements of polymer/solvent solutions. Changes in molecular weight will affect the crystallization rate and the maximum crystallinity reached for a specific thermal history. Both references agree that the new LOT 1 material molecular weight falls within the deviation found from averaging previous historical lots of Kel-F 800.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Astrophysical Tests of Dark Matter with Maunakea Spectroscopic Explorer

We discuss how astrophysical observations with the Maunakea Spectroscopic Explorer (MSE), a high-multiplexity (about 4300 fibers), wide field-of-view (1.5 square degree), large telescope aperture (11.25 m) facility, can probe the particle nature of dark matter. MSE will conduct a suite of surveys that will provide critical input for determinations of the mass function, phase-space distribution, and internal density profiles of dark matter halos across all mass scales. N-body and hydrodynamical simulations of cold, warm, fuzzy and self-interacting dark matter suggest that non-trivial dynamics in the dark sector could have left an imprint on structure formation. Analysed within these frameworks, the extensive and unprecedented datasets produced by MSE will be used to search for deviations away from cold and collisionless dark matter model. MSE will provide an improved estimate of the local density of dark matter, critical for direct detection experiments, and will improve estimates of the J-factor for indirect searches through self-annihilation or decay into Standard Model particles. MSE will determine the impact of low mass substructures on the dynamics of Milky Way stellar streams in velocity space, and will allow for estimates of the density profiles of the dark matter halos of Milky Way dwarf galaxies using more than an order of magnitude more tracers. In the low redshift Universe, MSE will provide critical redshifts to pin down the luminosity functions of vast numbers of satellite systems, and MSE will be an essential component of future strong lensing measurements to constrain the halo mass function. Across nearly all mass scales, the improvements offered by MSE, in comparison to other facilities, are such that the relevant analyses are limited by systematics rather than statistics.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

Completed SDSS-IV extended Baryon Oscillation Spectroscopic Survey: Cosmological implications from two decades of spectroscopic surveys at the Apache Point Observatory

We present the cosmological implications from final measurements of clustering using galaxies, quasars, and Lyα forests from the completed Sloan Digital Sky Survey (SDSS) lineage of experiments in large-scale structure. These experiments, composed of data from SDSS, SDSS-II, BOSS, and eBOSS, offer independent measurements of baryon acoustic oscillation (BAO) measurements of angular-diameter distances and Hubble distances relative to the sound horizon, r d , from eight different samples and six measurements of the growth rate parameter, fσ 8 , from redshift-space distortions (RSD). This composite sample is the most constraining of its kind and allows us to perform a comprehensive assessment of the cosmological model after two decades of dedicated spectroscopic observation. We show that the BAO data alone are able to rule out dark-energy-free models at more than eight standard deviations in an extension to the flat, ΛCDM model that allows for curvature. When combined with Planck Cosmic Microwave Background (CMB) measurements of temperature and polarization, under the same model, the BAO data provide nearly an order of magnitude improvement on curvature constraints relative to primary CMB constraints alone. Independent of distance measurements, the SDSS RSD data complement weak lensing measurements from the Dark Energy Survey (DES) in demonstrating a preference for a flat ΛCDM cosmological model when combined with Planck measurements. The combined BAO and RSD measurements indicate σ 8 =0.85±0.03, implying a growth rate that is consistent with predictions from Planck temperature and polarization data and with General Relativity. When combining the results of SDSS BAO and RSD, Planck, Pantheon Type Ia supernovae (SNe Ia), and DES weak lensing and clustering measurements, all multiple-parameter extensions remain consistent with a ΛCDM model. Regardless of cosmological model, the precision on each of the three parameters, Ω Λ , H 0 , and σ 8 , remains at roughly 1%, showing changes of less than 0.6% in the central values between models. In a model that allows for free curvature and a time-evolving equation of state for dark energy, the combined samples produce a constraint Ω K =-0.0022±0.0022. The dark energy constraints lead to w 0 =-0.909±0.081 and w a =$-0.49_{-0.30}^{+0.35}$, corresponding to an equation of state of w p =-1.018±0.032 at a pivot redshift z p =0.29 and a Dark Energy Task Force Figure of Merit of 94. The inverse distance ladder measurement under this model yields H 0 =68.18±0.79 km s -1 Mpc -1 , remaining in tension with several direct determination methods; the BAO data allow Hubble constant estimates that are robust against the assumption of the cosmological model. In addition, the BAO data allow estimates of H 0 that are independent of the CMB data, with similar central values and precision under a ΛCDM model. Our most constraining combination of data gives the upper limit on the sum of neutrino masses at Σm ν <0.115 eV (95% confidence). Finally, we consider the improvements in cosmology constraints over the last decade by comparing our results to a sample representative of the period 2000-2010. We compute the relative gain across the five dimensions spanned by w, Ω k , Σm ν , H 0 , and σ 8 and find that the SDSS BAO and RSD data reduce the total posterior volume by a factor of 40 relative to the previous generation. Finally, adding again the Planck, DES, and Pantheon SN Ia samples leads to an overall contraction in the five-dimensional posterior volume of 3 orders of magnitude.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Detection and imaging of the oxygen deficiency in single crystalline YBa{sub 2}Cu{sub 3}O{sub 7−δ} thin films using a scanning positron beam

Single crystalline YBa{sub 2}Cu{sub 3}O{sub 7−δ} (YBCO) thin films were grown by pulsed laser deposition in order to probe the oxygen deficiency δ using a mono-energetic positron beam. The sample set covered a large range of δ (0.191 < δ < 0.791) yielding a variation of the critical temperature T{sub c} between 25 and 90 K. We found a linear correlation between the Doppler broadening of the positron electron annihilation line and δ determined by X-ray diffraction. Ab-initio calculations have been performed in order to exclude the presence of Y vacancies and to ensure the negligible influence of potentially present Ba or Cu vacancies to the found correlation. Moreover, scanning with the positron beam allowed us to analyze the spatial variation of δ, which was found to fluctuate with a standard deviation of up to 0.079(5) within a single YBCO film.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2017

Experimental determination of phonon thermal conductivity and Lorenz ratio of single crystal metals: Al, Cu, and Zn

We use a magnetothermal resistance method to measure lattice thermal conductivity of pure single crystal metals over the intermediate temperature range of 5–60 K. Large transverse magnetic fields are applied to suppress electronic thermal conduction. The total thermal conductivity and the electrical conductivity are measured as functions of applied magnetic field. The lattice thermal conductivity is then extracted by extrapolating the thermal conductivity versus electrical conductivity curve at zero electrical conductivity. We used this method to experimentally measure the lattice thermal conductivity and Lorenz number in single crystal Al (100), Cu (100), and Zn (001) in the intermediate temperature range. Our results show that the measured phonon thermal conductivity versus temperature plot has a peak around ΘD/10, and the Lorenz number is found to deviate from the Sommerfeld value in the intermediate temperature range.

Yao, Mengliang↗

DOE OSTI2025

Anomalous and planar Hall effects in Co 1−x Ho x thin films across the magnetic sublattice compensation temperature

Metallic amorphous ferrimagnets derived from alloying 3d transition metals with 4f-electron rare earths host fascinating effects of compensation between the 3d and 4f magnetic sublattices. Here, a detailed study of the anisotropic magnetoresistance (Δρ xx ), planar Hall effect (ρ xy PHE ), and anomalous Hall effect (ρ xy AHE ) is reported on a series of Co 1−x Ho x thin films over a wide field–temperature (H–T) phase space. Close to the magnetic compensation temperature, the ρ xy AHE –H loops show a double sign reversal and signatures of spin-flop transition at higher fields. The Δρ xx and ρ xy PHE also display strong deviations from the classical angular dependence seen in soft ferromagnets like permalloy as the angle ϕ between in-plane current and magnetic field is scanned from 0 to 2π. It is argued that the non-zero orbital angular momentum of Ho ions in the lattice and stabilization of bubble domains below magnetic saturation may be responsible for such features. Direct imaging of magnetic textures with x-ray photoelectron microscopy shows the formation of stripe domain patterns in the regime of sublattice compensation. Such stripes are likely to transform into magnetic bubbles before full saturation is reached in a large magnetic field.

36 MATERIALS SCIENCE↗

DOE OSTI2011

RESOLVING THE DYNAMICAL MASS OF A z {approx} 1.3 QUASI-STELLAR OBJECT HOST GALAXY USING SINFONI AND LASER GUIDE STAR ASSISTED ADAPTIVE OPTICS

Recent studies of the tight scaling relations between the masses of supermassive black holes (BHs) and their host galaxies have suggested that in the past BHs constituted a larger fraction of their host galaxies' mass. However, these arguments are limited by selection effects and difficulties in determining robust host galaxy masses at high redshifts. Here we report the first results of a new, complementary diagnostic route: we directly determine a dynamical host galaxy mass for the z = 1.3 luminous quasar J090543.56+043347.3 through high spatial resolution (0.''47, 4 kpc FWHM) observations of the host galaxy gas kinematics over 30 x 40 kpc using the European Southern Observatory/Very Large Telescope/SINFONI with laser guide star adaptive optics. Combining our result of M{sub dyn} = 2.05{sup +1.68}{sub -0.74} x 10{sup 11} M{sub sun} (within a radius 5.25 {+-} 1.05 kpc) with M{sub BH,MgII} = 9.02 {+-} 1.43 x 10{sup 8} M{sub sun}, M{sub BH,H{alpha}} = 2.83{sup +1.93}{sub -1.13} x 10{sup 8} M{sub sun}, we find that the ratio of BH mass to host galaxy dynamical mass for J090543.56+043347.3 matches the present-day relation for M{sub BH} versus M{sub Bulge,Dyn}, well within the IR scatter, and deviating at most by a factor of two from the mean. J090543.56+043347.3 displays clear signs of an ongoing tidal interaction and of spatially extended star formation at a rate of 50-100 M{sub sun} yr{sup -1}, above the cosmic average for a galaxy of this mass and redshift. We argue that its subsequent evolution may move J090543.56+043347.3 even closer to the z = 0 relation for M{sub BH} versus M{sub Bulge,Dyn}. Our results support the picture in which any substantive evolution in these relations must occur prior to z {approx} 1.3. Having demonstrated the power of this modeling approach, we are currently analyzing similar data on seven further objects to better constrain such evolution.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

Low-E Retrofit Demonstration and Educational Program

The objective of this project was to demonstrate the capability of low-emissivity (low-E) storm windows / panels and low-E retrofit glazing systems to significantly and cost effectively improve the energy efficiency of both existing residential and commercial buildings. The key outcomes are listed below: RESIDENTIAL CASE STUDIES: (a) A residential case study in two large multifamily apartment buildings in Philadelphia showed a substantial 18-22% reduction in heating energy use and a 9% reduction in cooling energy use by replacing old clear glass storm windows with modern low-E storm windows. Furthermore, the new low-E storm windows reduced the overall apartment air leakage by an average of 10%. (b) Air leakage testing on interior low-E panels installed in a New York City multifamily building over windows with and without AC units showed that the effective leakage area of the windows was reduced by 77-95%. (c) To study the use of low-E storm windows in a warmer mixed climate with a balance of both heating and cooling, 10 older homes near Atlanta with single pane windows were tested with three types of exterior storm windows: clear glass, low-E glass with high solar heat gain, and low-E glass with lower solar heat gain. The storm windows significantly reduced the overall home air leakage by an average of 17%, or 3.7 ACH50. Considerably high variability in the data made it difficult to draw strong conclusions about the overall energy usage, but for heating periods, the low-E storm windows showed approximately 15% heating energy savings, whereas clear storm windows were neutral in performance. For cooling periods, the low-E storm windows showed a wide range of performance from 2% to over 30% cooling energy savings. Overall, the study showed the potential for significantly more energy savings from using low-E glass versus no storm window or clear glass storm windows in warmer mixed climates, but it is difficult to conclusively say whether one type of low-E performed better than the other. COMMERCIAL CASE STUDIES: (a) A 12-story office building in Philadelphia was retrofitted by adding a double-pane low-E insulating glass unit to the existing single pane windows, to create a triple glazed low-E system. A detailed side-by-side comparison in two pairs of perimeter offices facing north and east showed a 39-60% reduction in heating energy use, a 9-36% reduction in cooling energy use, and a 10% reduction in peak electrical cooling demand. An analysis of utility bills estimated the whole building heating and cooling energy use was reduced by over 25%. Additionally, the retrofit window temperatures were commonly 20 degrees warmer on winter days, and 10-20 degrees cooler on summer days, leading to increased occupant comfort. (b) Two large 4-story office buildings in New Jersey were retrofitted with a similar system, but using two low-E coatings in the retrofit system. The energy savings are being monitored by a separate GPIC project; this work quantified the changes in glass surface temperatures, thermal comfort, and potential glass thermal stress. The low-E retrofit panels greatly reduced daily variations in the interior window surface temperatures, lowering the maximum temperature and raising the minimum temperature by over 20F compared to the original single pane windows with window film. The number of hours of potential thermal discomfort, as measured by deviation between mean radiant temperature and ambient air temperature by more than 3F, were reduced by 93 percent on the south orientation and over two-thirds on the west orientation. Overall, the low-E retrofit led to substantially improved occupant comfort with less periods of both overheating and feeling cold. (c) No significant thermal stress was observed in the New Jersey office building test window when using the low-E retrofit system over a variety of weather conditions. The surface temperature difference only exceeded 10F (500 psi thermal stress) for less than 1.5% of the monitored time, and in all cases, the maximum surface temperature difference never exceeded 35F (1,750 psi thermal stress). LOW-E STORM WINDOW OUTREACH AND EDUCATION PROGRAM: (a) The project team assisted the State of Pennsylvania in adding low-E storm windows as a cost effective weatherization measure on its priority list for the state weatherization assistance program. (b) No technical barriers that could hinder widespread application were identified in the case studies. However, educational barriers have been identified, in that weatherization personnel commonly misunderstand how the application of low-E storm windows is very different than much more expensive full window replacement. (c) A package of educational materials was developed to help communicate the benefits of low-E storm windows and retrofits as a cost effective tool for weatherization personnel. (d) Using detailed thermal simulations, more accurate U-factor and solar heat gain coefficient (SHGC) values were determined for low-E storm windows installed over different primary windows. IN SUMMARY, this work confirmed the potential for low-E storm windows, panels, and retrofit systems to provide significant energy savings, reductions in air leakage, and improvements in thermal comfort in both residential and commercial existing buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Differential cross section measurements for the production of top quark pairs and of additional jets using dilepton events from pp collisions at $\sqrt{s}$ = 13 TeV

Differential cross sections for top quark pair ($\textrm{t}\overline{\textrm{t}}$) production are measured in proton-proton collisions at a center-of-mass energy of 13 TeV using a sample of events containing two oppositely charged leptons. The data were recorded with the CMS detector at the CERN Large Hadron Collider and correspond to an integrated luminosity of 138 fb −1 . The differential cross sections are measured as functions of kinematic observables of the $\textrm{t}\overline{\textrm{t}}$ system, the top quark and antiquark and their decay products, as well as of the number of additional jets in the event. The results are presented as functions of up to three variables and are corrected to the parton and particle levels. When compared to standard model predictions based on quantum chromodynamics at different levels of accuracy, it is found that the calculations do not always describe the observed data. The deviations are found to be largest for the multi-differential cross sections.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2011

Neutron-Rich {sup 62,64,64}Fe Show Enhanced Collectivity: The Washout of N = 40 in Terms of Experiment, Valence Proton Symmetry and Shell Model

Probing shell structure at a large neutron excess has been of particular interest in recent times. Neutron-rich nuclei between the proton shell closures Z = 20 and Z = 28 offer an exotic testing ground for shell evolution. The development of the N = 40gap between neutron fp and lg{sub 9/2} shells gives rise to highly interesting variations of collectivity for nuclei in this region. While {sup 68}Ni shows doubly magic properties in level energies and transition strengths, this was not observed in neighbouring nuclei. Especially neutron-rich Fe isotopes proved particularly resistant to calculational approaches using the canonical valence space (fpg) resulting in important deviations of the predicted collectivity. Only an inclusion of the d{sub 5/2}-orbital could solve the problem [1]. Hitherto no transition strengths for {sup 66}Fe have been reported. We determined B(E2,2{sup +}{sub 1}{yields}0{sup +}{sub 1}) values from lifetimes measured with the recoil distance Doppler-shift method using the Cologne plunger for radioactive beams at National Superconducting Cyclotron Laboratory at Michigan State University. Excited states were populated by projectile Coulomb excitation for {sup 62,64,66}Fe. The data show a rise in collectivity for Fe isotopes towards N = 40. Results [2] are interpreted by means of a modified version of the Valence Proton Symmetry [3] and compared to shell model calculations using a new effective interaction recently developed for the fpgd valence space [4].

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2011

THE CARNEGIE-IRVINE GALAXY SURVEY. II. ISOPHOTAL ANALYSIS

The Carnegie-Irvine Galaxy Survey (CGS) is a comprehensive investigation of the physical properties of a complete, representative sample of 605 bright (B{sub T} {<=} 12.9 mag) galaxies in the southern hemisphere. This contribution describes the isophotal analysis of the broadband (BVRI) optical imaging component of the project. We pay close attention to sky subtraction, which is particularly challenging for some of the large galaxies in our sample. Extensive crosschecks with internal and external data confirm that our calibration and sky subtraction techniques are robust with respect to the quoted measurement uncertainties. We present a uniform catalog of one-dimensional radial profiles of surface brightness and geometric parameters, as well as integrated colors and color gradients. Composite profiles highlight the tremendous diversity of brightness distributions found in disk galaxies and their dependence on Hubble type. A significant fraction of S0 and spiral galaxies exhibit non-exponential profiles in their outer regions. We perform Fourier decomposition of the isophotes to quantify non-axisymmetric deviations in the light distribution. We use the geometric parameters, in conjunction with the amplitude and phase of the m = 2 Fourier mode, to identify bars and quantify their size and strength. Spiral arm strengths are characterized using the m = 2 Fourier profiles and structure maps. Finally, we utilize the information encoded in the m = 1 Fourier profiles to measure disk lopsidedness. The databases assembled here and in Paper I lay the foundation for forthcoming scientific applications of CGS.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Searches for Light- and Heavy-flavor Three-jet Resonances in proton-proton Collisions with the CMS Detector at $\sqrt{s}$ = 8 TeV

A search for three-jet hadronic resonance production in proton-proton collisions at 8 TeV center-of-mass energy has been conducted by the CMS Collaboration at the LHC. The data set corresponds to an integrated luminosity of 19.4 fb -1 . The search method is modelindependent. Events are selected that contain a large number of jets with high transverse momentum. An ensemble of jets is used to extract a new possible signal from copious QCD background. Event selection is optimized using a benchmark model where supersymmetric gluinos are pair-produced and each of the gluinos decays exclusively into three jets. Two scenarios of this decay are considered denoted by the RPV couplings λ'' 112 and λ'' 113 or λ'' 223 . The first coupling allows for gluinos to decay into only light-flavor jets, while the latter two allow decays into one heavy-flavor and two light-flavor jets. No significant deviation is found between the selected events and the expected standard model multijet and t$\bar{t}$ background. For gluinos decaying through 00 112, masses below 650 GeV are excluded at the 95% confidence level. The search including heavy-flavor jets in the final state with the couplings λ'' 113 or λ'' 223 is the first of its kind. Gluinos decaying into one heavy-flavor and two light-flavor jets are excluded for masses between 200 and 835 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2019

An Empirical Assessment of the MODIS Land Cover Dynamics and TIMESAT Land Surface Phenology Algorithms

Observations of vegetation phenology at regional-to-global scales provide important information regarding seasonal variation in the fluxes of energy, carbon, and water between the biosphere and the atmosphere. Numerous algorithms have been developed to estimate phenological transition dates using time series of remotely sensed spectral vegetation indices. A key challenge, however, is that different algorithms provide inconsistent results. This study provides a comprehensive comparison of start of season (SOS) and end of season (EOS) phenological transition dates estimated from 500 m MODIS data based on two widely used sources of such data: the TIMESAT program and the MODIS Global Land Cover Dynamics (MLCD) product. Specifically, we evaluate the impact of land cover class, criteria used to identify SOS and EOS, and fitting algorithm (local versus global) on the transition dates estimated from time series of MODIS enhanced vegetation index (EVI). Satellite-derived transition dates from each source are compared against each other and against SOS and EOS dates estimated from PhenoCams distributed across the Northeastern United States and Canada. Our results show that TIMESAT and MLCD SOS transition dates are generally highly correlated (r = 0.51-0.97), except in Central Canada where correlation coefficients are as low as 0.25. Relative to SOS, EOS comparison shows lower agreement and higher magnitude of deviations. SOS and EOS dates are impacted by noise arising from snow and cloud contamination, and there is low agreement among results from TIMESAT, the MLCD product, and PhenoCams in vegetation types with low seasonal EVI amplitude or with irregular EVI time series. In deciduous forests, SOS dates from the MLCD product and TIMESAT agree closely with SOS dates from PhenoCams, with correlations as high as 0.76. Overall, our results suggest that TIMESAT is well-suited for local-to-regional scale studies because of its ability to tune algorithm parameters, which makes it more flexible than the MLCD product. At large spatial scales, where local tuning is not feasible, the MLCD product provides a readily available data set based on a globally consistent approach that provides SOS and EOS dates that are comparable to results from TIMESAT.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

On the Representativity of Electrode Microstructure Parameters and Their Electrochemical Response for Lithium Ion Batteries

Lithium-ion battery electrochemical models require an accurate description of the electrodes microstructures to be predictive that can be achieved through nanoscale imaging. Such observations are however limited by their field of view (FOV), as they provide only a subset of the whole electrode volume that does not necessarily represent the whole electrode microstructure heterogeneity, and therefore can bias the microstructure analysis. A microstructure scale electrochemical model was used to investigate lithium plating onset, material non-uniform utilization, and in-plane heterogeneities for an NMC-graphite full cell. To evaluate the representativeness, and thus relevance, of these model predictions, a coupled representativity analysis has been performed on the microstructure parameters and, in a novel way, on the full cell electrochemical response. Electrode microstructure parameters representativeness has been first quantified using the representative volume element (RVE) methodology. The RVE major flaw is that ultimately it can only conclude if a FOV contains representative subvolumes of the FOV, but not if the FOV itself is representative of the electrode volume. Analysis can conclude negatively ('FOV is not representative'), but not positively ('FOV is representative'). One major contribution of this work was to quantify the convergence of the RVE size with the FOV, to actually investigate the FOV representativeness and thus partly remedy this intrinsic limitation. The analysis determined that performing a standard RVE calculation, without exploring its FOV convergence, is likely to strongly underestimate the actual RVE size. The new RVE methodology has been automated in the NREL open-source Microstructure Analysis Toolbox (MATBOX) and is available to the battery community. Representativeness of microstructure parameters is however only an intermediate step, as the end-results of an electrochemical model are performances predictions. Indeed, what is the practical consequence of a given deviation for a microstructure parameter? The microstructure parameter deviation propagations to the 3D microstructure scale electrochemical response have been then quantified for different charge rates. This defines a threshold for the microstructure parameters FOV for a desired maximum deviation of the electrochemical response. Such deviation propagation analysis is analogous to error propagation analysis and is necessary to determine the relevance of microstructure scale model predictions for macroscale predictions. Electrochemical model shows cell representative section areas are increasing with C-rate, due to higher in-plane heterogeneities, indicating larger FOVs are required specifically for fast charge modeling. Therefore, we introduced the novel concept of electrochemical RVE (eRVE) that is a function of the operating conditions (thus defined as a dynamic RVE), with an increasing dependence with the C-rate. Representativity analysis of the investigated cell determined a FOV of 144.4 x 54.4 m2 is large enough to establish a convergence on the representative section areas for low to intermediate C-rate (=2.5C), but not large enough to conclude for higher rates. This work aims to emphasize the importance of representativity analysis for LIB electrode microstructures, as it is required to estimate the error, and thus the relevance, of microstructure parameters intended to be used in macroscale models. The methodology and results can help researchers to select the relevant imaging and associated FOV required to provide accurate enough microstructure parameters.

ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2026

Search for pair production of heavy resonances in final states with a photon and large-radius jets in proton-proton collisions at $\sqrt{s}$ = 13 TeV

A search for the pair production of heavy spin-1/2 or spin-3/2 resonances (𝑡*) in proton-proton collisions at $\sqrt{s}$ =13 TeV is presented. Data collected with the CMS detector at the CERN LHC from 2016 to 2018 corresponding to an integrated luminosity of 138 fb −1 are used. The analysis targets benchmark signal scenarios where one 𝑡* decays into a top quark (𝑡) and a photon (𝛾), and the other into a 𝑡 quark and a gluon (𝑔), i.e., 𝑝⁢𝑝 → $𝑡^*\overline{⁢𝑡^*}$ → 𝑡⁢𝑡⁢𝛾⁢𝑔. All-hadronic final states from the 𝑡 pair decay chain are selected using jet substructure techniques. The signal is probed as a function of the 𝑡* candidate mass, which is reconstructed using the photon and a top quark candidate jet. No significant deviation from the background-only hypothesis is found. Observed (expected) upper limits on the signal cross section at 95% confidence level are set, excluding masses of spin-1/2 𝑡* particles below 930 (930) GeV and spin-3/2 𝑡* particles below 1330 (1390) GeV. This analysis marks the first search for heavy resonances in the $𝑡\bar{⁢𝑡}𝛾⁢𝑔$ channel. Exploiting the high-energy photon to reduce the backgrounds, this search achieves sensitivity competitive with 𝑝⁢𝑝 → $𝑡^*\overline{⁢𝑡^*}$ → $𝑡\bar{⁢𝑡}⁢𝑔⁡𝑔$ searches for spin-1/2 𝑡* despite the small expected 𝑡* → 𝑡⁢𝛾 branching fraction.

hadron colliders↗

DOE OSTI2021

Modeling and Optimizing Pumped Storage in a Multi-stage Large Scale Electricity Market under Portfolio Evolution

To leverage the fast-ramping capability of resources to provide great value to the grid, electricity system operators such as the Midcontinent Independent System Operator (MISO) continue to evolve their approaches for integrating energy storage resources, including pumpedstorage hydro (PSH), into the electricity markets. However, new challenges arise in modeling and optimizing these energy-limited resources across multiple market clearing processes and planning studies with uncertainties and imperfect information. For instance, current market practices of PSH owners specifying pumping/generating hours can result in sub-optimal generation dispatch. Letting grid operators optimize PSH with the consideration of multiple operating modes and energy limitation constraints can potentially bring economic benefits to both the system and the PSH owners. However, in multi-stage clearing process of electricity markets, utilizing the PSH flexibility to deal with realized uncertainties can cause deviation in the multi-stage scheduling processes. The resulting financial risks from the schedule deviation may not be acceptable to PSH owners. In addition, to effectively utilize this energy limited resource, the state of charge (SOC) constraints of PSH needs to be continuously optimized and the marginal cost of deviation need to reflect the expected cost to purchase or sell energy at future times to compensate for deviations. This project aims to develop a prototype enhanced PSH model and improved price signals in the multi-stage market clearing process with proper consideration of the unique characteristics of PSH, in order to better align underlying PSH capabilities with evolving grid needs, particularly including the needs for more frequent and larger cycling to manage variability and uncertainty from renewables.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2018

Energy levels, lifetimes and radiative data of W LV

Calculations of energy levels, radiative data and lifetimes are reported for tungsten Ca-like ion (W LV) by using multi-configuration Dirac–Fock (MCDF) method. The GRASP2K package is adopted to carry out a large-scale systematic computation with a restricted active space treatment; the Breit interaction and QED effects are included in subsequent relativistic configuration interaction calculations. The energies and lifetimes of the lowest 119 levels are listed; the main leading configuration of the levels is of the ground state configuration [Ne]3s{sup 2}3p{sup 6}3d{sup 2} and the first excited configuration [Ne]3s{sup 2}3p{sup 5}3d{sup 3}. The wavelengths, radiative rates and oscillator strengths for relatively strong E1, E2, M1, and M2 transitions are listed. Comparisons with earlier experimental and theoretical values are made. The average relative deviations of energy levels from the NIST results and E1 transition wavelengths from the EBIT experimental results have turned to be only 0.20% and 0.13%, respectively. The other present results are in reasonable agreement with available data. These agreements confirm the reliability and accuracy of the current results. The present datasets may help us with the investigation of the electron–electron correlation effects in complex multi-electron highly charged heavy ions and of the diagnosis of tungsten impurity plasmas in fusion science.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Evidence of off-shell Higgs boson production from ZZ leptonic decay channels and constraints on its total width with the ATLAS detector

This Letter reports on a search for off-shell production of the Higgs boson using 139 fb —1 of $pp$ collision data at $\sqrt{s}$ = 13 TeV collected by the ATLAS detector at the Large Hadron Collider. The signature is a pair of $\overline{Z}$ bosons, with contributions from both the production and subsequent decay of a virtual Higgs boson and the interference of that process with other processes. The two observable final states are $\overline{Z}$ $\overline{Z}$ → 4$\ell$ and $\overline{Z}$ $\overline{Z}$ → 2$\ell$2$ν$ with $\ell$ = $e$ or $μ$. In the $\overline{Z}$ $\overline{Z}$ → 4$\ell$ final state, a dense Neural Network is used to enhance analysis sensitivity with respect to matrix element-based discrimination. The backgroundonly hypothesis is rejected with an observed (expected) significance of 3.3 (2.2) standard deviations, representing experimental evidence for off-shell Higgs boson production. Assuming that no new particles enter the production of the virtual Higgs boson, its total width can be deduced from the measurement of its off-shell production cross-section. The measured total width of the Higgs boson is ${4.5}_{—2.5}^{+3.3}$ MeV, and the observed (expected) upper limit on the total width is found to be 10.5 (10.9) MeV at 95% confidence level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗