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DOE OSTI2021

Measurements of Higgs boson production cross sections and couplings in the diphoton decay channel at $ \sqrt{\mathrm{s}} $ = 13 TeV

Measurements of Higgs boson production cross sections and couplings in events where the Higgs boson decays into a pair of photons are reported. Events are selected from a sample of proton-proton collisions at s√ = 13 TeV collected by the CMS detector at the LHC from 2016 to 2018, corresponding to an integrated luminosity of 137 fb -1 . Analysis categories enriched in Higgs boson events produced via gluon fusion, vector boson fusion, vector boson associated production, and production associated with top quarks are constructed. The total Higgs boson signal strength, relative to the standard model (SM) prediction, is measured to be 1.12±0.09. Other properties of the Higgs boson are measured, including SM signal strength modifiers, production cross sections, and its couplings to other particles. These include the most precise measurements of gluon fusion and vector boson fusion Higgs boson production in several different kinematic regions, the first measurement of Higgs boson production in association with a top quark pair in five regions of the Higgs boson transverse momentum, and an upper limit on the rate of Higgs boson production in association with a single top quark. All results are found to be in agreement with the SM expectations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

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↗

DOE OSTI2020

Measurement of nuclear effects on ψ(2S) production in p-Pb collisions at $ \sqrt{s_{\mathrm{NN}}}$ = 8.16 TeV

Inclusive ψ (2S) production is measured in p-Pb collisions at the centre-of-mass energy per nucleon-nucleon pair $ \sqrt{s_{\mathrm{NN}}} $ = 8.16 TeV, using the ALICE detector at the CERN LHC. The production of ψ (2S) is studied at forward (203 < y cms < 3 . 53) and backward (-4.46 < y cms < -2.96) centre-of-mass rapidity and for transverse momentum p T < 12 GeV/ c via the decay to muon pairs. In this paper, we report the integrated as well as the y cms - and p T -differential inclusive production cross sections. Nuclear effects on ψ (2S) production are studied via the determination of the nuclear modification factor that shows a strong suppression at both forward and backward centre-of-mass rapidities. Comparisons with corresponding results for inclusive J/ ψ show a similar suppression for the two states at forward rapidity (p-going direction), but a stronger suppression for ψ (2S) at backward rapidity (Pb-going direction). As a function of p T , no clear dependence of the nuclear modification factor is found. The relative size of nuclear effects on ψ (2S) production compared to J/ ψ is also studied via the double ratio of production cross sections [ σ ψ (2S) /σ J /ψ ]pPb/[ σ ψ (2S) /σ J /ψ ] pp between p-Pb and pp collisions. The results are compared with theoretical models that include various effects related to the initial and final state of the collision system and also with previous measurements at $ \sqrt{s_{\mathrm{NN}}} $ = 5.02 TeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Consequences of Intrapore Liquids on Reactivity, Selectivity, and Stability for Aldol Condensation Reactions on Anatase TiO 2 Catalysts

Abstract This study provides evidence and mechanistic interpretations for the significant consequences of intrapore non‐polar liquids on acetone aldol condensation turnover rates, selectivity to primary dimer products, and catalyst stability for reactions at Lewis acid‐base site pairs on TiO 2 surfaces. These non‐polar liquids confer such benefits through the preferential stabilization of transition states (TS) for adsorption (“entry”) and desorption (“exit”) steps, which place their respective reactants or products within a solvating outer sphere environment. The extent to which non‐polar fluids ( n ‐heptane) form an intrapore liquid phase within TiO 2 voids was obtained from N 2 uptakes using established formalisms that consider the different molal volume, surface tension, and volatility between N 2 and n ‐heptane. Acetone condensation rates are limited by C−H activation, an “entry” step that forms bound prop‐1‐en‐2‐olates via a TS stabilized by intrapore liquids, leading to higher aldol condensation turnover rates as n ‐heptane pressure increases and active TiO 2 surfaces become increasingly immersed within a non‐polar liquid phase. These liquids solvate the late TS structures that mediate the desorption of primary C 6 condensation products even more effectively than those involved in prop‐1‐en‐2‐olate formation or in nucleophilic attack events that later form C−C bonds. Such preferential solvation favors desorption over C−C coupling events, thus disfavoring the formation of larger oligomers that become stranded at active sites, thus leading to much slower deactivation. Moreover, solvation by non‐polar liquids also leads to C 6 alkanones as the sole products formed in a single surface sojourn. These effects of a non‐polar dense phase circumvent the inherent stability, reactivity, and selectivity hurdles that have precluded practical aldol condensation catalysis on Lewis acid‐base pairs at oxide surfaces; these consequences are demonstrated here for TiO 2 catalysts, acetone aldol condensation reactions, and n ‐heptane as the non‐polar liquid but through strategies, concepts, and mechanistic features that extend to other systems. More generally, these observations and their mechanistic origins demonstrate how a contacting liquid preferentially solvates TS structures for elementary steps that involve either reactants arriving from or products entering into an outer sphere environment that contains a dense non‐polar phase.

Kadam, Shashikant A.↗

NASA NTRS1980

The mosaics of Mars: As seen by the Viking Lander cameras

The mosaics and derivative products produced from many individual high resolution images acquired by the Viking Lander Camera Systems are described: A morning and afternoon mosaic for both cameras at the Lander 1 Chryse Planitia site, and a morning, noon, and afternoon camera pair at Utopia Planitia, the Lander 11 site. The derived products include special geometric projections of the mosaic data sets, polar stereographic (donut), stereoscopic, and orthographic. Contour maps and vertical profiles of the topography were overlaid on the mosaics from which they were derived. Sets of stereo pairs were extracted and enlarged from stereoscopic projections of the mosaics.

Levinthal, E. C.↗

DOE OSTI2026

Synthetic overlapping genes stabilize genetic systems

Overlapping genes—wherein two different proteins are translated from alternative reading frames of the same DNA sequence—provide a means to stabilize an engineered gene by directly linking its evolutionary fate with that of an overlapping gene. However, creating overlapping gene pairs is challenging, as it requires redesigning both protein products to accommodate overlap constraints. Here, we present a new “overlapping, alternate-frame insertion” (OAFI) method for creating synthetic overlapping genes by inserting an “inner” gene, encoded in an alternate frame, into a flexible region of an “outer” gene. Using OAFI, we create new overlapping gene pairs of genetic reporters and bacterial toxins within an antibiotic resistance gene. We show that both the inner and outer genes retain function despite redesign, with translation of the inner gene influenced by its overlap position in the outer gene. Importantly, we show that, despite these inner gene sequences not contributing to outer gene function, selection for the outer gene alters the permitted inactivating mutations in the inner gene, and that overlapping toxins can restrict horizontal gene transfer of the antibiotic resistance gene. Overall, OAFI offers a versatile tool for synthetic biology, expanding the applications of overlapping genes in gene stabilization and biocontainment.

Biological and medical sciences↗

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↗

DOE OSTI2025

Zero-Carbon Biofuels: An Optimized Two-Stage System for High Productivity Conversion of CO2 to Liquid Fuels

In MIT’s Zero-Carbon Biofuels work, under ARPAe’s EcoSynBio funding, we capitalized on our previously developed technology of the oleaginous yeast, Yarrowia lipolytica, engineered to produce high titer biodiesel-like lipids and alkanes, and set out to reduce or eliminate CO 2 generation during lipid production. We set out to do this by both engineering Y. lipolytica with the necessary enzymes to allow the generation of reducing equivalents from H 2 , formic acid, or methanol, and, in parallel, installing the non-oxidative glycolysis (NOG) pathway. The goal was that combination of these two would enable stoichiometric conversion of glucose and acetate to biodiesel products. Furthermore, our ARPAe Electrofuels funded research, yielded a very innovative two-stage system where gases comprising CO 2 and H 2 are used for the production of liquid fuels. Acetate is produced from CO 2 and H 2 , via acetogenic fermentation, in the first stage as the intermediary product, then fed to Y. lipolytica in the second stage, for conversion to lipids and alkanes. To increase the commercial competitiveness of the two-stage system, by improvement to the overall productivity, we recently showed that synergistic substrate co-feeding drastically enhances CO 2 fixation rates and set out to explore additional co-substrate pairs, including methanol and formic acid, in order to maximize acetate productivity. Finally, given the attractiveness as a biofuel, we also set out to attempt an important increase in the production of alkanes over lipids in Yarrowia.

10 SYNTHETIC FUELS↗

NASA NTRS2017

The Use of Sun Elevation Angle for Stereogrammetric Boreal Forest Height in Open Canopies

Stereogrammetry applied to globally available high resolution spaceborne imagery (HRSI; less than 5 m spatial resolution) yields fine-scaled digital surface models (DSMs) of elevation. These DSMs may represent elevations that range from the ground to the vegetation canopy surface, are produced from stereoscopic image pairs (stereo pairs) that have a variety of acquisition characteristics, and have been coupled with lidar data of forest structure and ground surface elevation to examine forest height. This work explores surface elevations from HRSI DSMs derived from two types of acquisitions in open canopy forests. We (1) apply an automated mass-production stereogrammetry workflow to along-track HRSI stereo pairs, (2) identify multiple spatially coincident DSMs whose stereo pairs were acquired under different solar geometry, (3) vertically co-register these DSMs using coincident spaceborne lidar footprints (from ICESat-GLAS) as reference, and(4) examine differences in surface elevations between the reference lidar and the co-registered HRSI DSMs associated with two general types of acquisitions (DSM types) from different sun elevation angles. We find that these DSM types, distinguished by sun elevation angle at the time of stereo pair acquisition, are associated with different surface elevations estimated from automated stereogrammetry in open canopy forests. For DSM values with corresponding reference ground surface elevation from spaceborne lidar footprints in open canopy northern Siberian Larix forests with slopes less than10, our results show that HRSI DSM acquired with sun elevation angles greater than 35deg and less than 25deg (during snow-free conditions) produced characteristic and consistently distinct distributions of elevation differences from reference lidar. The former include DSMs of near-ground surfaces with root mean square errors less than 0.68 m relative to lidar. The latter, particularly those with angles less than 10deg, show distributions with larger differences from lidar that are associated with open canopy forests whose vegetation surface elevations are captured. Terrain aspect did not have a strong effect on the distribution of vegetation surfaces. Using the two DSM types together, the distribution of DSM-differenced heights in forests (6.0 m, sigma = 1.4 m) was consistent with the distribution of plot-level mean tree heights (6.5m, sigma = 1.2 m). We conclude that the variation in sun elevation angle at time of stereo pair acquisition can create illumination conditions conducive for capturing elevations of surfaces either near the ground or associated with vegetation canopy. Knowledge of HRSI acquisition solar geometry and snow cover can be used to understand and combine stereogrammetric surface elevation estimates to co-register rand difference overlapping DSMs, providing a means to map forest height at fine scales, resolving the vertical structure of groups of trees from spaceborne platforms in open canopy forests.

Paul M Montesano↗

DOE OSTI2021

Double sulfur vacancies by lithium tuning enhance CO2 electroreduction to n-propanol

Electrochemical CO 2 reduction can produce valuable products with high energy densities but the process is plagued by poor selectivities and low yields. Propanol represents a challenging product to obtain due to the complicated C 3 forming mechanism that requires both stabilization of *C 2 intermediates and subsequent C 1 –C 2 coupling. Herein, density function theory calculations revealed that double sulfur vacancies formed on hexagonal copper sulfide can feature as efficient electrocatalytic centers for stabilizing both CO* and OCCO* dimer, and further CO–OCCO coupling to form C 3 species, which cannot be realized on CuS with single or no sulfur vacancies. The double sulfur vacancies were then experimentally synthesized by an electrochemical lithium tuning strategy, during which the density of sulfur vacancies was well-tuned by the charge/discharge cycle number. The double sulfur vacancy-rich CuS catalyst exhibited a Faradaic efficiency toward n-propanol of 15.4 ± 1% at -1.05 V versus reversible hydrogen electrode in H-cells, and a high partial current density of 9.9 mA cm -2 at -0.85 V in flow-cells, comparable to the best reported electrochemical CO 2 reduction toward n-propanol. Our work suggests an attractive approach to create anion vacancy pairs as catalytic centers for multi-carbon-products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Confirming X-ray Parametric Down Conversion by Time-Energy Correlation

We present measurements of X-ray Parametric Down Conversion at the Advanced Photon Source synchrotron facility. Using an incoming pump beam at 22 keV, we observe the simultaneous, elastic emission of down-converted photon pairs generated in a diamond crystal. The pairs are detected using high count rate silicon drift detectors with low noise. Production by down-conversion is confirmed by measuring time-energy correlations in the detector signal, where photon pairs within an energy window ranging from 10 to 12 keV are only observed at short time differences. By systematically varying the crystal misalignment and detector positions, we obtain results that are consistent with the constant total of the down-converted signal. Our maximum rate of observed pairs was 130 /hour, corresponding to a conversion efficiency for the down-conversion process of 5.3±0.5×10 -13 .

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

X-ray Parametric Down Conversion at the APS Synchrotron

We present measurements of X-ray Parametric Down Conversion at the Advanced Photon Source synchrotron facility. We use an incoming pump beam at 22 keV to observe the simultaneous, elastic emission of down-converted photon pairs generated in a diamond crystal. The pairs are detected using high count rate silicon drift detectors with low noise. Production by down-conversion is confirmed by measuring time-energy correlations in the detector signal, where photon pairs within an energy window ranging from 10 to 12 keV are only observed at short time differences. By systematically varying the crystal misalignment and detector positions, we obtain results that are consistent with the constant total of the down-converted signal.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2020

Satellite-based remote sensing data set of global surface water storage change from 1992 to 2018

The recent availability of freely and openly available satellite remote sensing products has enabled the implementation of global surface water monitoring at a level not previously possible. Here we present a global set of satellite-derived time series of surface water storage variations for lakes and reservoirs for a period that covers the satellite altimetry era. Our goals are to promote the use of satellite-derived products for the study of large inland water bodies and to set the stage for the expected availability of products from the Surface Water and Ocean Topography (SWOT) mission, which will vastly expand the spatial coverage of such products,expected from 2021 on. Our general strategy is to estimate global surface water storage changes (1V) in large lakes and reservoirs using a combination of paired water surface elevation (WSE) and water surface area (WSA)extent products. Specifically, we use data produced by multiple satellite altimetry missions (TOPEX/Poseidon,Jason-1, Jason-2, Jason-3, and Envisat) from 1992 on, with surface extent estimated from Terra/Aqua Moderate Resolution Imaging Spectroradiometer (MODIS) from 2000 on. We leverage relationships between elevation and surface area (i.e., hypsometry) to produce estimates of 1 Veven during periods when either of the variables was not available. This approach is successful provided that there are strong relationships between the two variables during an overlapping period. Our target is to produce time series of1Vas well as of WSE and WSA fora set of 347 lakes and reservoirs globally for the 1992–2018 period. The data sets presented and their respective algorithm theoretical basis documents are publicly available and distributed via the Physical Oceanography Dis-tributed Active Archive Center (PO DAAC; https://podaac.jpl.nasa.gov/, last access: 13 May 2020) of NASA’sJet Propulsion Laboratory. Specifically, the WSE data set is available at https://doi.org/10.5067/UCLRS-GREV2(Birkett et al., 2019), the WSA data set is available at https://doi.org/10.5067/UCLRS-AREV2 (Khandelwal and Kumar, 2019), and the 1V data set is available at https://doi.org/10.5067/UCLRS-STOV2 (Tortini et al., 2019).The records we describe represent the most complete global surface water time series available from the launch of TOPEX/Poseidon in 1992 (beginning of the satellite altimetry era) to the near present. The production of long-term, consistent, and calibrated records of surface water cycle variables such as in the data set presented here is of fundamental importance to baseline future SWOT products

Riccardo Tortini↗

DOE OSTI2022

Evaluation and Optimization of Well Completion Options for the Utah FORGE Site

Orientation and completion for well pairs that have been subjected to multi-zonal stimulation play a critical role in the long-term performance of an Enhanced Geothermal Reservoir. Enhanced geothermal systems often rely on preferential flow along fractures between well injection and production locations. Modeling this preferential flow using discrete fracture networks (DNF) relies on stochastic realizations of the DFN based on geological sampling. Here we present the development of a stochastic optimization methodology to determine well completion options in a discrete fracture network based on using parallel subset simulation. Stochastic optimization will provide insight into regions where placements of the injection and production wells are optimal. An example optimization of well-pair location optimization based on a deterministic-stochastic DFN model representing FORGE follows a discussion of the theory.

15 GEOTHERMAL ENERGY↗

DOE OSTI2020

Observation of the associated production of a top quark and a Z boson in pp collisions at $ \sqrt{s} $= 13 TeV with the ATLAS detector

Single top-quark production in association with a Z boson, where the Z boson decays to a pair of charged leptons, is measured in the trilepton channel. The proton-proton collision data collected by the ATLAS experiment from 2015 to 2018 at a centre-of-mass energy of 13 TeV are used, corresponding to an integrated luminosity of 139 fb -1 . Events containing three isolated charged leptons (electrons or muons) and two or three jets, one of which is identified as containing a b -hadron, are selected. The main backgrounds are from $ t\overline{t}Z $ and diboson production. Neural networks are used to improve the background rejection and extract the signal. The measured cross-section for t ℓ + ℓ - q production, including non-resonant dilepton pairs with $ {m}_{{\mathrm{\ell}}^{+}{\mathrm{\ell}}^{-}} $ > 30 GeV, is 97 ± 13 (stat.) ± 7 (syst.) fb, consistent with the Standard Model prediction.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Search for CP violation using $\textrm{t}\overline{\textrm{t}}$ events in the lepton+jets channel in pp collisions at $\sqrt{s}$ = 13 TeV

Results are presented on a search for CP violation in the production and decay of top quark-antiquark pairs in the lepton+jets channel. The search is based on data from proton-proton collisions at $\sqrt{s}$ = 13 TeV, collected with the CMS detector, corresponding to an integrated luminosity of 138 fb –1 . Possible CP violation effects are evaluated by measuring asymmetries in observables constructed from linearly independent four-momentum vectors of the final-state particles. The dimensionless chromoelectric dipole moment of the top quark obtained from the observed asymmetries is measured to be 0.04 ± 0.10 (stat) ± 0.07(syst), and the asymmetries exhibit no evidence for CP-violating effects, consistent with expectations from the standard model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Protein-based approach for high-purity Sc, Y, and grouped lanthanide separation

Rare earth elements (REEs: Sc, Y, La- Lu) are irreplaceable components in many clean energy and consumer technologies. However, the extraction and subsequent separation of individual REEs from ore-based feedstocks remains a significant economic and environmental challenge. Here in this work, we investigated the intra-REE separation potential of lanmodulin (LanM), a natural protein from Methylorubrum extorquens that has emerged as a sustainable potential alternative to conventional solvent extraction-based separation. By determining the intra-REE selectivity of immobilized LanM and systematically testing pH-based and small chelator-based (i.e., citrate and malonate) desorption processes, we established the framework and methodology for achieving select individual and grouped REE separations from a mixed REE feedstock. We show that Sc forms the tightest complex with LanM among REEs but can be readily and selectively desorbed using malonate to generate high-purity Sc (>99 % purity, >99 % yield) in a single adsorption/desorption cycle. We further show that the intrinsic REE selectivity of LanM is sufficient to achieve heavy REE (HREE) separation from light and middle REEs (L-MREEs), yielding an yttrium-enriched product. This separation effect is further magnified by pairing LanM’s unique M-LREE preference with a HREE-preferring chelator in the desorption process, which enriches HREE and MREE fractions relative to low value, abundant La/Ce. Finally, by combining pH- and citrate-based desorption processes in a two-cycle separation scheme, we demonstrate the generation of fractions highly enriched in Y, Gd-Lu, Pr-Eu, and La-Ce. Collectively, these data support the application of a LanM-based approach for achieving impactful REE separations from mixed REE feedstocks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

A fully kinetic model for orphan gamma-ray flares in blazars

ABSTRACT Blazars emit a highly variable non-thermal spectrum. It is usually assumed that the same non-thermal electrons are responsible for the IR-optical-UV emission (via synchrotron) and the gamma-ray emission (via inverse Compton). Hence, the light curves in the two bands should be correlated. Orphan gamma-ray flares (i.e. lacking a luminous low-frequency counterpart) challenge our theoretical understanding of blazars. By means of large-scale two-dimensional radiative particle-in-cell simulations, we show that orphan gamma-ray flares may be a self-consistent by-product of particle energization in turbulent magnetically dominated pair plasmas. The energized particles produce the gamma-ray flare by inverse Compton scattering an external radiation field, while the synchrotron luminosity is heavily suppressed since the particles are accelerated nearly along the direction of the local magnetic field. The ratio of inverse Compton to synchrotron luminosity is sensitive to the initial strength of turbulent fluctuations (a larger degree of turbulent fluctuations weakens the anisotropy of the energized particles, thus increasing the synchrotron luminosity). Our results show that the anisotropy of the non-thermal particle population is key to modelling the blazar emission.

79 ASTRONOMY AND ASTROPHYSICS↗