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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Ligand and Linkage Isomers of Bis(ethylthiocarbamato) Copper Complexes with Cyclic C 6 H 8 Backbone Substituents: Synthesis, Characterization, and Antiproliferation Activity

Abstract A series of isomeric bis(alkylthiocarbamate) copper complexes have been synthesized, characterized, and evaluated for antiproliferation activity. The complexes were derived from ligand isomers with 3‐methylpentyl (H 2 L 2 ) and cyclohexyl (H 2 L 3 ) backbone substituents, which each yield a pair of linkage isomers. The thermodynamic products CuL 2a/3a have two imino N and two S donors resulting in three five‐member chelate rings (555 isomers). The kinetic isomers CuL 2b/3b have one imino and one hydrazino N donor and two S donors resulting in four‐, six‐, and five‐member rings (465 isomers). The 555 isomers have more accessible Cu II/I potentials (E 1/2 =−811/−768 mV vs. ferrocenium/ferrocene) and lower energy charge transfer bands than their 465 counterparts (E 1/2 =−923/‐854 mV). Antiproliferation activities were evaluated against the lung adenocarcinoma cell line (A549) and nonmalignant lung fibroblast cell line (IMR‐90) using the MTT assay. CuL 2a was potent ( A549 EC 50 =0.080 μM) and selective ( IMR‐90 EC 50 / A549 EC 50 =25) for A549. Its linkage isomer CuL 2b had equivalent A549 activity, but lower selectivity ( IMR‐90 EC 50 / A549 EC 50 =12.5). The isomers CuL 3a and CuL 3b were less potent with A549 EC 50 values of 1.9 and 0.19 M and less selective with IMR‐90 EC 50 / A549 EC 50 ratios of 2.3 and 2.65, respectively. There was no correlation between reduction potential and A549 antiproliferation activity/selectivity.

Chemistry↗
DOE OSTI2024

Direct quarkonium production in DIS from a joint CGC and NRQCD framework

We compute the differential cross section for direct quarkonium production in high-energy electron-nucleus collisions at small 𝑥. Our computation is performed within the nonrelativistic QCD factorization formalism that separates the calculation into short distance coefficients and long distance matrix elements that depend on the color and spin of the state. We obtain the short distance coefficients of the production of the heavy quark pair within the framework of the color glass condensate effective field theory, which resums coherent multiple interactions of the heavy quark pair with the nucleus to all orders. Our results are expressed as the convolution of perturbatively calculable functions with multipoint lightlike Wilson line correlators. In the correlation limit, we establish the correspondence between our color glass condensate formulation with calculations employing the transverse momentum dependent (TMD) framework. We extend this correspondence by resumming kinematic power corrections within the improved TMD framework, which interpolates between the TMD formalism and 𝑘 ⊥ -factorization formalism. We present a detailed numerical analysis, focusing on 𝐽/𝜓 production in the kinematics accessible at the future Electron-Ion Collider, highlighting the importance of genuine higher-order saturation contributions when the electron collides with a large nucleus. Our results are also valid in the photoproduction limit where we expect the largest contribution from genuine higher-order saturation contributions which could be accessed in ultraperipheral collisions of relativistic heavy ions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Comparison of transverse single-spin asymmetries for forward π 0 production in polarized pp , p Al and p Au collisions at nucleon pair c.m. energy √sNN=200 GeV

The STAR collaboration reports a measurement of the transverse single-spin asymmetries, A N , for neutral pions produced in polarized proton collisions with protons ( p p ), with aluminum nuclei ( p Al ) and with gold nuclei ( p Au ) at a nucleon-nucleon center-of-mass energy of 200 GeV. Neutral pions are observed in the forward direction relative to the transversely polarized proton beam, in the pseudorapidity region 2.7 < η < 3.8 . Results are presented for π 0 s observed in the STAR forward meson spectrometer electromagnetic calorimeter in narrow Feynman x ( x F ) and transverse momentum ( p T ) bins, spanning the range 0.17 < x F < 0.81 and 1.7 < p T < 6.0 GeV / c . For fixed x F < 0.47 , the asymmetries are found to rise with increasing transverse momentum. For larger x F , the asymmetry flattens or falls as p T increases. Parametrizing the ratio r ( A ) ≡ A N ( p A ) / A N ( p p ) = A P over the kinematic range, the ratio r ( A ) is found to depend only weakly on A , with ( P ) = - 0.027 ± 0.005 . No significant difference in P is observed between the low- p T region, p T < 2.5 GeV / c , where gluon saturation effects may play a role, and the high- p T region, p T > 2.5 GeV / c . It is further observed that the value of A N is significantly larger for events with a large- p T isolated π 0 than for events with a nonisolated π 0 accompanied by additional jetlike fragments. The nuclear dependence r ( A ) is similar for isolated and nonisolated π 0 events.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Measurements of inclusive and differential cross-sections of $t\overline{t}\gamma$ production in pp collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

Inclusive and differential cross-sections are measured at particle level for the associated production of a top quark pair and a photon ($t\overline{t}\gamma$). The analysis is performed using an integrated luminosity of 140 fb -1 of proton-proton collisions at a centre-of-mass energy of 13 TeV collected by the ATLAS detector. The measurements are performed in the single-lepton and dilepton top quark pair decay channels focusing on ($t\overline{t}\gamma$) topologies where the photon is radiated from an initial-state parton or one of the top quarks. The absolute and normalised differential cross-sections are measured for several variables characterising the photon, lepton and jet kinematics as well as the angular separation between those objects. The observables are found to be in good agreement with the Monte Carlo predictions. The photon transverse momentum differential distribution is used to set limits on effective field theory parameters related to the electroweak dipole moments of the top quark. The combined limits using the photon and the Z boson transverse momentum measured in $t\overline{t}$ production in associations with a Z boson are also set.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Rare Higgs Processes at CMS and Precision Timing Detector Studies for HL-LHC CMS Upgrade

This thesis describes the search for two rare Higgs processes. The first analysis describes the CMS Run 2 search for $H$ $\rightarrow$ $\mu$$\mu$ decays, with 137.3 fb$^{-1}$ of data at $\sqrt{s}$ = 13 TeV. The analysis targeted four different Higgs production modes: the gluon fusion (ggH), the vector boson fusion (VBF), the Higgs-strahlung process (VH), and the production in association with a pair of top quarks (ttH). Each category used a dedicated machine learning based classifier to separate the signal from the background processes. A combined fit from all these categories saw a slight excess in the data corresponding to 3.0 standard deviations at $M$$_{H}$ = 125.38 GeV, and gave the first evidence for the Higgs boson decay to second-generation fermions. The best-fit signal strength and the corresponding 68% CL interval was found to be +0.17?????? = 1.19 $_{-0.39}^{+0.41}$ (stat)$_{-0.16}^{+0.17}$(syst) at $M$$_{H}$ = 125.38 GeV. The second analysis describes the CMS Run 2 search for 𝐻𝐻 → 𝑏𝑏𝑏𝑏 with highly boosted Higgs bosons. This analysis used a dedicated jet identification algorithm based on graph neural networks (ParticleNet) to identify boosted H→ bb jets. This search targeted the gluon fusion and the vector boson fusion HH production modes, and put constraints on the allowed values of the various Higgs couplings as: 𝜅𝜆 ∈ [−9.9, 16.9] when 𝜅𝑉 = 1, 𝜅2𝑉 = 1; 𝜅𝑉 ∈ [−1.17, −0.79] ∪ [0.81, 1.18] when 𝜅𝜆 = 1, 𝜅2𝑉 = 1; 𝜅2𝑉 ∈ [0.62, 1.41] when 𝜅𝜆 = 1, 𝜅𝑉 = 1. A scenario with 𝜅2𝑉 = 0 was excluded with a significance of 6.3 standard deviations for the first time, when other H couplings are fixed to their SM values. The combined observed (expected) 95% upper limit on the HH production cross section was found to be 9.9 (5.1) × SM. Finally, this thesis also discusses the planned MIP Timing Detector (MTD) upgrade for CMS at the HL-LHC. The MTD will be a time-of-flight (TOF) detector, designed to provide a precision timing information for charged particles using SiPMs + LYSO scintillating crystals, with a time resolution of ∼30 ps. This thesis describes several R&D tests that have been performed for characterizing the sensor properties (time resolution, light yield, etc.) and optimizing the sensor design geometry. This thesis also contains a description of mock test setups for cooling the sensors, since it is known to be an effective way of mitigating the increased dark current rates in the sensors due to radiation damage.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Point Cloud of Cloud Points (PCCP) Value-Added Product Report

In this report, we refer to a pair of cameras that capture synchronized pictures with overlapping fields of view (FOV) as a stereo pair. Each stereo pair independently performs a stereo reconstruction of cloud points. Currently, there are three U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility stereo pairs (six cameras in total) positioned around the Southern Great Plains (SGP) observatory’s Central Facility (CF; Romps and Oktem 2017). Time-synchronized pictures from the two cameras in a stereo pair can be paired together to obtain a three-dimensional (3D) reconstruction of feature points by triangulation. This document explains how we use ARM stereo cameras and stereophotogrammetric principles to generate the Point Cloud of Cloud Points (PCCP) Value-Added Product (VAP). The PCCP VAP is essentially a set of 3D positions representing the locations of cloud features in the sky. Thousands of cloud features can be reconstructed instantly in each stereo pair's FOV, which covers an area of tens of square kilometers. Cloud base and cloud top heights can be extracted from the PCCP product.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Measurement of muon pairs produced via γ γ scattering in nonultraperipheral Pb + Pb collisions at s N N = 5.02 TeV with the ATLAS detector

Results of a measurement of dimuon photoproduction in nonultraperipheral Pb + Pb collisions at √ s NN = 5.02 TeV are presented. The measurement uses ATLAS data from the 2015 and 2018 Pb + Pb data-taking periods at the LHC with an integrated luminosity of 1.94 nb –1 . The γγ → μ + μ – pairs are identified via selections on pair momentum asymmetry and acoplanarity. Differential cross sections for dimuon production are measured in different centrality, average muon momentum, and pair rapidity intervals as functions of acoplanarity and k ⊥ , the transverse momentum kick of one muon relative to the other. Measurements are also made as a function of the rapidity separation of the muons and the angle of the muon pair relative to the second-order event plane to test whether magnetic fields generated in the quark-gluon plasma affect the measured muons. A prior observation of a centrality-dependent broadening of the acoplanarity distribution is confirmed. Furthermore, the improved precision of the measurement reveals a depletion in the number of pairs having small acoplanarity or k ⊥ values in more central collisions. The acoplanarity distributions in a given centrality interval are observed to vary with the mean p T of the muons in the pair, but the k ⊥ distributions do not. Comparisons with recent theoretical predictions are made. The predicted trends associated with effects of magnetic fields on the dimuons are not observed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Direct quarkonium-plus-gluon production in DIS in the color glass condensate

We compute the differential cross-section for direct quarkonium production accompanied by a gluon in high-energy deep inelastic scattering (DIS) at small- x . We employ the Non-Relativistic QCD factorization framework, focusing on the S -wave contribution to the formation of the quarkonium, and including both color singlet and octet contributions. Our short distance coefficients for the production of the heavy quark pair are obtained within the Color Glass Condensate effective field theory. Our results pave the way towards the next-to-leading order computation of direct quarkonium in DIS, as well as the study of azimuthal correlations of direct quarkonium and jet.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Probing the flavour structure of dimension-6 EFT operators in multilepton final states in proton-proton collisions at $\sqrt{s}=13$ TeV

An analysis of the flavour structure of dimension-6 effective field theory (EFT) operators in multilepton final states is presented, focusing on the interactions of quarks with Z bosons. For the first time, the flavour structure of these operators is disentangled by simultaneously probing the interactions with different quark generations. The analysis targets the associated production of a top quark pair and a Z boson, as well as diboson processes in final states with at least three leptons, which can be electrons or muons. The data were recorded by the CMS experiment in the years 2016–2018 in proton-proton collisions at a centre-of-mass energy of 13 TeV and correspond to an integrated luminosity of 138 fb −1 . Consistency with the standard model of particle physics is observed and limits are set on the selected Wilson coefficients, split into couplings to light- and heavy-quark generations.

Flavour Physics↗
DOE OSTI2020

Triplet Excitons in Pentacene Are Intrinsically Difficult to Dissociate via Charge Transfer

Singlet fission (SF) has the potential to bypass the Shockley–Queisser limit for solar cell efficiency through the production of two electron–hole pairs per photon. However, in polycrystalline pentacene this goal is hindered by slow charge transfer from triplets (=10 7 s –1 ) after SF. In this paper we demonstrate that slow charge transfer is an intrinsic property of triplet states in this material and most likely not connected with the triplet pair states that may result from singlet fission. We compare two perylene diimide/pentacene charge transfer systems that differ only by triplet generation mechanism: SF versus intersystem crossing (ISC), sensitized by using a soluble lead phthalocyanine derivative. We use time-resolved microwave conductivity (TRMC) to measure the charge yield in each system and transient absorption (TA) to follow the triplet population dynamics. These experiments are described by a single global kinetic model, with most of its parameters fixed via control experiments. While we observe modest differences in the charge-transfer rate constants between each sample, 4–10× as a function of triplet generation mechanism, all samples remain far below the predicted diffusion-limited rate constant of 10 7 –10 8 s –1 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Taking aim at the wino-Higgsino plane with the LHC

In this work we explore multiple search strategies for Higgsinos and mixed Higgsino-wino states in the minimal supersymmetric Standard Model (MSSM) and project the results onto the ( μ , M 2 ) plane. Assuming associated production of Higgsino-like pairs with a W / Z boson, we develop a search in a channel characterized by a hadronically tagged vector boson accompanied by missing energy. We use as our template an ATLAS search for dark matter produced in association with a hadronically decaying vector boson, but upgrade the search by implementing a joint-likelihood analysis, binning the missing transverse energy distribution, which greatly improves the search sensitivity. For Higgsino-like states (more than 96% admixture) we find sensitivity to masses up to 550 GeV. For well-mixed Higgsino-wino states (70–30% Higgsino) we still find sensitivities above 300 GeV. Using this newly proposed search, we draw a phenomenological map of the wino-Higgsino parameter space, recasting several complementary searches for disappearing tracks, soft leptons, trileptons, and hadronic diboson events in order to predict LHC coverage of the ( μ , M 2 ) mass plane at integrated luminosities of up to 3 ab − 1 . Altogether, the full run of the HL-LHC can exclude much of the “natural” ( μ , M 2 < 500 GeV ) wino-Higgsino parameter space. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

Top Yukawa coupling measurement at the muon collider

We have presented a detailed study about the prospects for the measurement of the top Yukawa coupling in the vector boson fusion production of a top quark pair at high energy muon colliders. By employing the effective W approximation and the high energy limit for the helicity amplitudes of the subprocess W + W − → t t ¯ , we have derived the energy scaling of the statistical signal significance in the presence of the anomalous couplings by focusing on the interference term only. The sensitivity on the top Yukawa coupling decreases as the bin energy increases. For the anomalous triple gauge boson couplings and the gauge-boson-fermion couplings with E 2 energy growing behavior, the signal significance has mild increase at the beginning and starts to decrease for s ^ t t ¯ ∼ 0.2 s μ + μ − . The 95% CL on the anomalous top Yukawa coupling is projected to be 5.6% (1.7%) at a 10 (30) TeV muon collider, which is comparable to the sensitivity of 2% at the 100 TeV collider. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

Transverse energy-energy correlators in the color-glass condensate at the electron-ion collider

We investigate the transverse energy-energy correlators (TEEC) in the small- x regime at the upcoming Electron-Ion Collider (EIC). Focusing on the back-to-back production of electron-hadron pairs in both e p and e A collisions, we establish a factorization formula given in terms of the hard function, quark distributions, soft functions, and TEEC jet functions, where the gluon saturation effect is incorporated. Numerical results for TEEC in both e p and e A collisions are presented, together with the nuclear modification factor R A . Our analysis reveals that TEEC observables in deep inelastic scattering provide a valuable approach for probing gluon saturation phenomena. Our findings underscore the significance of measuring TEEC at the EIC, emphasizing its efficacy in advancing our understanding of gluon saturation and nuclear modifications in high-energy collisions. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

Production of meson molecules in ultraperipheral heavy ion collisons

In this work we present a calculation of exotic charmonium production in ultraperipheral collisions, in which the exotic state is explicitly treated as a meson molecule. Our formalism is general, but we focus on the lightest possible exotic charmonium state: a 𝐷 + ⁢𝐷 − molecular bound state. It was proposed some time ago, and it has been an object of experimental searches. Here we study the production of the open charm pair in the process 𝛾⁢𝛾 → 𝐷 + ⁢𝐷 − . Then we use a prescription to project the free pair |𝐷 + ⁢𝐷 − ⟩ onto a bound state at the amplitude level and compute the cross section of the process 𝛾⁢𝛾 → 𝐵 (where 𝐵 is the bound state). Finally, we convolute this last cross section with the equivalent photon distributions coming from the projectile and target in an ultraperipheral collision and find the 𝐴⁢𝐴 → 𝐴⁢𝐴⁢𝐵 cross section, which, for 𝑃⁢𝑏 −𝑃⁢𝑏 collisions at $\sqrt{s_{NN}}$ =5.02 TeV, is of the order of 3 μ⁢b.

Sobrinho, F. C.↗
DOE OSTI2020

Measurement of $\mathrm{t\bar t}$ normalised multi-differential cross sections in pp collisions at $\sqrt s=13$ TeV, and simultaneous determination of the strong coupling strength, top quark pole mass, and parton distribution functions

Normalised multi-differential cross sections for top quark pair ($\mathrm{t\overline{t}}$) production are measured in proton-proton collisions at a centre-of-mass energy of 13 TeV using events containing two oppositely charged leptons. The analysed data were recorded with the CMS detector in 2016 and correspond to an integrated luminosity of 35.9 fb$^{-1}$. The double-differential $\mathrm{t\overline{t}}$ cross section is measured as a function of the kinematic properties of the top quark and of the $\mathrm{t\overline{t}}$ system at parton level in the full phase space. A triple-differential measurement is performed as a function of the invariant mass and rapidity of the $\mathrm{t\overline{t}}$ system and the multiplicity of additional jets at particle level. The data are compared to predictions of Monte Carlo event generators that complement next-to-leading-order (NLO) quantum chromodynamics (QCD) calculations with parton showers. Together with a fixed-order NLO QCD calculation, the triple-differential measurement is used to extract values of the strong coupling strength $\alpha_S$ and the top quark pole mass ($m_\mathrm{T}^\text{pole}$) using several sets of parton distribution functions (PDFs). Furthermore, a simultaneous fit of the PDFs, $\alpha_S$, and $m_\mathrm{T}^\text{pole}$ is performed at NLO, demonstrating that the new data have significant impact on the gluon PDF, and at the same time allow an accurate determination of $\alpha_S$ and $m_\mathrm{T}^\text{pole}$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Search for a light charged Higgs boson in $t \rightarrow H^{\pm } b$ decays, with $H^{\pm } \rightarrow cs$, in $pp$ collisions at $\sqrt{s}={13}\hbox { TeV}$ with the ATLAS detector

A search for a light charged Higgs boson produced in decays of the top quark, $t \rightarrow H^{\pm } b$ with $H^{\pm } \rightarrow cs$, is presented. This search targets the production of top-quark pairs $t\bar{t} \rightarrow WbH^{\pm } b$, with $W \rightarrow ℓv(ℓ = e, μ)$, resulting in a lepton-plus-jets final state characterised by an isolated electron or muon and at least four jets. The search exploits b-quark and c-quark identification techniques as well as multivariate methods to suppress the dominant $t\bar{t}$ background. The data analysed correspond to 140 fb -1 of $pp$ collisions at $\sqrt{s}$ = 13 TeV recorded with the ATLAS detector at the LHC between 2015 and 2018. Observed (expected) 95% confidence-level upper limits on the branching fraction $\mathscr{B}(t \rightarrow H^{\pm } b)$, assuming $\mathscr{B}(t \rightarrow Wb) + \mathscr{B}(t \rightarrow H^{\pm }(\rightarrow cs)b$, are set between 0.066% (0.077%) and 3.6% (2.3%) for a charged Higgs boson with a mass between 60 and 168 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

First Ever Polymer Flood Field Pilot to Enhance the Recovery of Heavy Oils on Alaska North Slope – Producer Responses and Operational Lessons Learned

The US Department of Energy and Hilcorp Alaska, LLC are jointly cosponsoring a field pilot project entitled “First Ever Field Pilot on Alaska’s North Slope to Validate the Use of Polymer Floods for Heavy Oil Enhanced Oil Recovery (EOR).” The objective of this pilot is to perform a field experiment to validate the use of an advanced polymer flooding technology to unlock the vast heavy oil resources on Alaska North Slope (ANS). Two pairs of horizontal injection and production wells have been deployed in an isolated fault block of the Schrader Bluff heavy oil reservoir at the Milne Point Field to conduct a polymer flood pilot which was designed to acquire field performance data to optimize polymer flood design in the Schrader Bluff heavy oil reservoirs on ANS. Hydrolyzed polyacrylamide (HPAM) polymer injection started on August 28, 2018 using a custom made polymer mixing and pumping unit. Polymer solution properties such as concentration, viscosity, and filter ratio, have been closely monitored and adjusted as necessary. Operational procedures have been improved to ensure adequate injectivity and polymer propagation through the formation. Oil and water production is tested frequently to monitor water cut performance, and produced water is sampled and analyzed for polymer content. Tracers were pumped pre and post polymer injection startup to compare polymer flood breakthrough timing and sweep efficiency. Polymer injectivity of the horizontal wells drilled in the Schrader Bluff NB sand is found to be sufficient to replace the reservoir production voidage although there were some declines as high viscosity polymer swept the near wellbore region. Production data show significant reduction in water cut and the oil production rate has stabilized. No polymer production has been confirmed from the two horizontal producers after 22 months of polymer injection into the two supporting horizontal injectors. Tracer data show very low sweep efficiencies with waterflood alone, whereas significant improvement has been achieved with polymer flood. Many operational lessons have been learned and improvements have been made regarding polymer mixing, pumping, and onsite quality control, particularly in a challenging Arctic environment. Adequate polymer injection rate can be achieved with diligent monitoring and quality assurance of the properties of the injected polymer solution.

Ning, Samson↗
DOE OSTI2021

Simulating 50 keV X-ray Photon Detection in Silicon with a Down-Conversion Layer

Simulation results are presented that explore an innovative, new design for X-ray detection in the 20–50 keV range that is an alternative to traditional direct and indirect detection methods. Typical indirect detection using a scintillator must trade-off between absorption efficiency and spatial resolution. With a high-Z layer that down-converts incident photons on top of a silicon detector, this design has increased absorption efficiency without sacrificing spatial resolution. Simulation results elucidate the relationship between the thickness of each layer and the number of photoelectrons generated. Further, the physics behind the production of electron-hole pairs in the silicon layer is studied via a second model to shed more light on the detector’s functionality. Together, the two models provide a greater understanding of this detector and reveal the potential of this novel form of X-ray detection.

47 OTHER INSTRUMENTATION↗