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DOE OSTI2020

Crossing symmetry, transcendentality and the Regge behaviour of 1d CFTs

We develop the technology for Polyakov-Mellin (PM) bootstrap in one- dimensional conformal field theories (CFT 1 ). By adding appropriate contact terms, we bootstrap various effective field theories in AdS 2 and analytically compute the CFT data to one loop. The computation can be extended to higher orders in perturbation theory, if we ignore mixing, for any external dimension. We develop PM bootstrap for O(N) theories and derive the necessary contact terms for such theories (which also involves a new higher gradient contact term absent for N = 1). We perform cross-checks which include considering the diagonal limit of the 2d Ising model in terms of the 1d PM blocks. As an independent check of the validity of the results obtained with PM bootstrap, we propose a suitable basis of transcendental functions, which allows to fix the four-point correlators of identical scalar primaries completely, up to a finite number of ambiguities related to the number of contact terms in the PM basis. We perform this analysis both at tree level (with and without exchanges) and at one loop. We also derive expressions for the corresponding CFT data in terms of harmonic sums. Finally, we consider the Regge limit of one-dimensional correlators and derive a precise connection between the latter and the large-twist limit of CFT data. Exploiting this result, we study the crossing equation in the three OPE limits and derive some universal constraints for the large-twist limit of CFT data in Regge-bounded theories with a finite number of exchanges.

1/N expansion↗
DOE OSTI2022

Measurement of e + e – → $\mathrm{K^+K^–π^0}$ cross section and observation of a resonant structure

Based on collision data collected by the BESIII detector at the BEPCII collider at center-of-mass energies from 2.000 to 3.080 GeV, a partial-wave analysis is performed for the process $e^+e^–$→ $K^+K^–π^0$. The Born cross section of the process $e^+e^–$→ $K^+K^–π^0$ and its subprocesses $e^+e^–$ → $\phi π^0, K^{*+}$(892)$K^–$ and $K^{*+}_{2}$(1430)$K^–$ are measured. The results for $e^+e^–$→ $K^+K^–π^0$ and $\phi π^0$ are consistent with the BaBar measurements and with improved precision. By analyzing the cross sections of the subprocesses $e^+e^–$ → $K^{*+}$(892)$K^–$ and $K^{*+}_{2}$(1430)$K^–$ a structure with mass $M_R$ = (2190 ± 19 ± 37) MeV/c 2 and width $Γ_R$ = (191 ± 28 ± 60) MeV is observed with a combined statistical significance of 7.1σ. The measured resonance parameters suggest it can be identified as the $\phi$(2170), thus the results provide valuable input to understand the internal nature of this state.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Search for CP violation in ${D}_{(s)}^{+}$ → K - K + K + decays

A search for direct CP violation in the Cabibbo-suppressed decay \( {D}_s^{+} \) → K - K + K + and in the doubly Cabibbo-suppressed decay D + → K - K + K + is reported. The analysis is performed with data collected by the LHCb experiment in proton-proton collisions at a centre-of-mass energy of 13 TeV corresponding to an integrated luminosity of 5.6 fb - 1 . The search is conducted by comparing the \( {D}_{(s)}^{+} \) and \( {D}_{(s)}^{-} \) Dalitz-plot distributions through a model-independent binned technique, based on fits to the K - K + K + invariant-mass distributions, with a total of 0.97 (1.27) million \( {D}_s^{+} \) ( D + ) signal candidates. The results are given as p -values for the hypothesis of CP conservation and are found to be 13.3% for the \( {D}_s^{+} \) → K - K + K + decay and 31.6% for the D + → K - K + K + decay. No evidence for CP violation is observed in these decays.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Measurement of the Higgs boson inclusive and differential fiducial production cross sections in the diphoton decay channel with pp collisions at $\sqrt{s}$ = 13 TeV

The measurements of the inclusive and differential fiducial cross sections of the Higgs boson decaying to a pair of photons are presented. The analysis is performed using proton-proton collisions data recorded with the CMS detector at the LHC at a centre-of-mass energy of 13 TeV and corresponding to an integrated luminosity of 137 fb -1 . The inclusive fiducial cross section is measured to be σ fid = 73.4$^{+5.4}_{-5.3}$ (stat)$a^{+2.4}_{-2.2 }$(syst) fb, in agreement with the standard model expectation of 75.4 ± 4.1 fb. The measurements are also performed in fiducial regions targeting different production modes and as function of several observables describing the diphoton system, the number of additional jets present in the event, and other kinematic observables. Two double differential measurements are performed. No significant deviations from the standard model expectations are observed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Universal relations for holographic interfaces

We study the entanglement entropy in 1+1 dimensional conformal field theories in the presence of interfaces from a holographic perspective. Compared with the well-known case of boundary conformal field theories, interfaces allow for several interesting new observables. Depending on how the interface is located within the entangling region, the entanglement entropies differ and exhibit surprising new patterns and universal relations. While our analysis is performed within the framework of holography, we expect our results to hold more generally.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Search for a W' boson decaying to a vector-like quark and a top or bottom quark in the all-jets final state at $\sqrt{\mathrm{s}}$ = 13 TeV

A search is presented for a heavy W' boson resonance decaying to a B or T vector-like quark and a t or a b quark, respectively. The analysis is performed using proton-proton collisions collected with the CMS detector at the LHC. The data correspond to an integrated luminosity of 138 fb -1 at a center-of-mass energy of 13 TeV. Both decay channels result in a signature with a t quark, a Higgs or Z boson, and a b quark, each produced with a significant Lorentz boost. The all-hadronic decays of the Higgs or Z boson and of the t quark are selected using jet substructure techniques to reduce standard model backgrounds, resulting in a distinct three-jet W' boson decay signature. No significant deviation in data with respect to the standard model background prediction is observed. Upper limits are set at 95% confidence level on the product of the W' boson cross section and the final state branching fraction. A W' boson with a mass below 3.1 TeV is excluded, given the benchmark model assumption of democratic branching fractions. In addition, limits are set based on generalizations of these assumptions. These are the most sensitive limits to date for this final state.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Unpolarized transverse momentum distributions from a global fit of Drell-Yan and semi-inclusive deep-inelastic scattering data

We present an extraction of unpolarized transverse-momentum-dependent parton distribution and fragmentation functions based on more than two thousand data points from several experiments for two different processes: semi-inclusive deep-inelastic scattering and Drell-Yan production. The baseline analysis is performed using the Monte Carlo replica method and resumming large logarithms at N 3 LL accuracy. The resulting description of the data is very good (χ 2 /N dat = 1.06). For semi-inclusive deep-inelastic scattering, predictions for multiplicities are normalized by factors that cure the discrepancy with data introduced by higher-order perturbative corrections.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
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 OSTI2021

Search for a heavy resonance decaying to a top quark and a W boson at $\sqrt{s}$ = 13 TeV in the fully hadronic final state

A search for a heavy resonance decaying to a top quark and a W boson in the fully hadronic final state is presented. The analysis is performed using data from proton-proton collisions at a center-of-mass energy of 13 TeV, corresponding to an integrated luminosity of 137 fb -1 recorded by the CMS experiment at the LHC. The search is focused on heavy resonances, where the decay products of each top quark or W boson are expected to be reconstructed as a single, large-radius jet with a distinct substructure. The production of an excited bottom quark, b*, is used as a benchmark when setting limits on the cross section for a heavy resonance decaying to a top quark and a W boson. The hypotheses of b* quarks with left-handed, right-handed, and vector-like chiralities are excluded at 95% confidence level for masses below 2.6, 2.8, and 3.1 TeV, respectively. These are the most stringent limits on the b* quark mass to date, extending the previous best limits by almost a factor of two.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Quantum Spectral Methods for Differential Equations

Recently developed quantum algorithms address computational challenges in numerical analysis by performing linear algebra in Hilbert space. Such algorithms can produce a quantum state proportional to the solution of a d-dimensional system of linear equations or linear differential equations with complexity poly(logd). While several of these algorithms approximate the solution to within ϵ with complexity poly(log(1/ϵ)), no such algorithm was previously known for differential equations with time-dependent coefficients. In this work, we develop a quantum algorithm for linear ordinary differential equations based on so-called spectral methods, an alternative to finite difference methods that approximates the solution globally. Using this approach, we give a quantum algorithm for time-dependent initial and boundary value problems with complexity poly(logd, log(1/ϵ)).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Ag-doped As–S–Se chalcogenide glasses: a correlative study of structural and dielectrical properties

This work is focused on investigating the effect of Ag doping on the dielectric and structural properties of the As–S–Se glass system and their suitability for potential applications in optoelectronics, such as electronic and switching components. A series of glasses from the system Agx(As40S30Se30)100-x (x = 5 at.% Ag) were prepared with melt-quenching technique. Morphological and compositional analysis was performed by scanning electron microscopy and energy-dispersive X-ray spectroscopy. Raman spectroscopy measurements have shown structural modifications of the glass network upon Ag doping, with creation of new Ag–(S,Se)–As structures, resulting in increased number of defect states. Variations in dielectric permittivity (e') and dielectric loss (e") were investigated in a wide frequency and temperature range, and explained by dominant dipolar and electronic polarization, as well as correlated with the observed structural changes. Improvement in dielectric properties is observed upon doping with Ag. Furthermore, the low dielectric tangent loss at high frequencies for all glassy samples points to a beneficial ability of the material to absorb energy of the external electric field. Good thermal stability of these glasses is confirmed by the calculated temperature coefficient of the dielectric permittivity. Density of localized states in all glasses was determined from AC conductivity and the dielectric tangent loss using a correlated barrier hopping model, and found to increase with Ag concentration. The overall results suggest that Ag doping enhances the electrical and optical quality of this type of glasses, making them suitable as nonlinear optical materials and their applications in devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

SCALE modeling of foil irradiations at WSU’s TRIGA with sensitivity/uncertainty analysis

We report the Washington State University TRIGA reactor was modeled in the SCALE system’s KENO neutron transport code. The model includes 119 fuel rods, a central boral control rod, 4 control blades, 5 irradiation ports, and 20 graphite reflector blocks within a rectangular aluminum grid box. The model accurately simulated the irradiation of depleted uranium and highly enriched uranium foils and predicted reaction rate ratios for 238 U(n,2n) 237 U / 238 U(n,γ) 239 U and 99 Mo / fission, which compared favorably to empirical values previously measured at Los Alamos. Finally, a sensitivity/uncertainty analysis was performed using the continuous-energy TSUNAMI-3D module of SCALE.

237Np↗
DOE OSTI2022

Stochastic Model for High Temperature Oxidation of Cr–Ni Austenitic Steels Assisted by Spallation

Abstract Cr–Ni austenitic steels offer significant high temperature corrosion protection by forming a surface oxide layer. However, above critical service conditions (temperature, atmosphere, thermal cycling), oxidized surface can experience intensive degradation because of scale spallation, which could be detrimental to the in-service life. To predict the effect of scale spallation on oxidation kinetics, a simulation was implemented using a stochastic model. The model considers topological parameters and intensity of spallation which can occur, while delivering a true oxidation constant. The experimental procedure identified the amount of formed spalled scale and topology of spallation based on the use of element mapping of the surface. This information was used to determine a true kinetic constant for a corresponding spallation intensity in oxidized Cr–Ni austenitic steel. To illustrate the capability of the stochastic model, a parametric analysis was performed. The model verified how the spallation parameters could change the oxidation processes from parabolic growth of an adhered oxide layer without spallation to a mixed linear-parabolic, or with a constant thickness of residual scale at high spallation intensity. The spallation model will be used in a separate article to characterize high temperature surface degradation of several Cr–Ni austenitic steels during harsh oxidation environments.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Computational Design of Interlayers for Thermally Stable Compositionally Graded Coatings on Nickel Alloys

To extend the service life of Ni-based superalloys, refractory metal coatings are often used. However, direct bonding between metals with dissimilar crystal structure promotes brittle intermetallic phase formation. This work presents a computational thermodynamic framework for high throughput design of functionally graded interlayers to suppress deleterious phases that may form at the interlayer. The Thermo-Calc software package was used to screen candidate metallic interlayer elements based on stability of solid-solution phases. Vanadium was identified as a promising interlayer due to its consistent suppression of intermetallic phases. Temperature-dependent phase diagram mapping between 600 and 1000 °C guided selection of a compositional pathway that significantly reduced intermetallic formation compared to directly joining the Ni-based and Nb refractory alloys. Time–temperature–transformation analysis was performed to assess whether equilibrium-predicted phases are kinetically accessible along regions of the graded path where non-solid-solution phases are not fully suppressed. The methodology was further applied to additional Ni-based alloy and coating systems, illustrating its transferability as an approach for rapid computational design of graded interlayers in dissimilar high-temperature materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Magneto-structural and induction heating properties of MFe2O4 (M?=?Co, Mn, Zn) MNPs for magnetic particle hyperthermia application

The thermal decomposition approach was used for the synthesis of MFe2O4 magnetic nanoparticles (MNPs) by substituting M as Co, Mn, and Zn. The obtained MNPs were characterized for magneto-structural properties using X-Ray diffraction patterns, FTIR, Raman and Mossbauer spectroscopy techniques which confirm the formation of phase pure cubic spinel ferrite with space group Fd3m and five Raman active modes. The size, morphology, and compositional analysis was performed using HRTEM and EDX where the size of MNPs was found to be less than 10 nm that attains superparamagnetism. The magnetic hyperthermia performance of obtained MNPs was evaluated by induction heating experiments at magnetic field range 13.3 to 26.7 kAm-1. The specific absorption rate (SAR) and intrinsic loss power (ILP) values were determined at different magnetic fields within the human tolerable range and correlated with magneto-structural properties to evaluate its potential for possible magnetic particle hyperthermia therapy.

Magnetic nanoparticles, complex-decomposition, mag↗
DOE OSTI2022

Strain energy-based fatigue failure analyses of LB-PBF Inconel 718: Effect of build orientation

Additively manufactured Inconel 718 parts fabricated in three build orientations (horizontal, vertical, and angled at 45 degrees) are tested in fully-reversed bending fatigue mode. Damping measurements via the Impulse Excitation technique are used to assess the defects content in the microstructure and fractography analysis is performed to detect the root cause of failure. Two micro- and macro-scale methodologies of fatigue damage estimation based on the dissipated heat per cycle and the statistical estimation of micro-plastic strain energies are used to assess fatigue damage. It is shown that at a given stress level, the vertically built specimens endure the most fatigue damage before failure while the diagonally built ones sustain the least. As a result, the fatigue life is estimated for arbitrary load amplitudes via a microstructure-sensitive algorithm with acceptable accuracy as compared to the experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Techno-economic analysis of bioplastic and biofuel production from a high-ash microalgae biofilm cultivated in effluent from a municipal anaerobic digester

Rotating Algae Biofilm Reactors (RABRs) are a promising technology for efficient treatment of wastewater and production of algae-based bioproducts. However, RABR-grown algae can contain a high content of ash (30–60 wt%, dry basis), which influences the technical and economic feasibility of bioproduct conversion processes. In this report, experimental studies and economic analysis were conducted to compare different processes for bioproduct conversion of a high-ash microalgae biofilm grown using a RABR treating 0.6 million gallons per day of anaerobic digestion centrate at the Central Valley Water Reclamation Facility in Salt Lake City, UT. Process and economic models were developed and compared for three conversion processes: 1) the production of bioplastics, 2) the production of bioplastics with a lipid-extraction pretreatment, and 3) the production of biocrude via hydrothermal liquefaction. Techno-economic analysis was performed for each conversion process, including three cases for algae productivity: 231, 391, and 577 metric tons per year (dry basis). The calculated value for the minimum plastic selling price (MPSP) of bioplastics produced from algae ranges from $\$4050$ to $\$3520$ per metric ton based on the baseline and final productivity cases of the RABR, respectively. The extraction of lipids in addition to bioplastic production results in an MPSP of $\$4570$ to $\$4000$ per metric ton for the same productivity cases. The relatively small production scale and complex processing for hydrothermal liquefaction results in a minimum fuel selling price of the biocrude of $\$5.32$ per gallon of gasoline equivalent. In conclusion, the conversion process for bioplastic production from whole algae has the highest income:expense ratio and the most cost-competitive pricing of the three modeled processes.

09 BIOMASS FUELS↗
DOE OSTI2022

Automated processing of environmental transmission electron microscopy images for quantification of thin film dewetting and carbon nanotube nucleation dynamics

We report scalable production of carbon nanotubes (CNTs) requires catalysts and reaction conditions that provide high nucleation efficiency. In situ characterization methods such as environmental transmission electron microscopy (ETEM) can reveal fundamental mechanisms of synthesis, but to date have primarily provided qualitative observations on small sample sizes. Here, quantitative analysis is performed using high-resolution, high-rate video capture of ETEM experimentation coupled with automated image processing, involving computer vision algorithms and convolutional neural networks. By this approach, we detect distinct nanoparticle formation from an alumina-supported iron thin film and subsequent CNT nucleation from the nanoparticles. The statistical summary of particles in each video shows that, compared to a H 2 -only atmosphere, pretreatment of the catalyst with carbon added to the H 2 atmosphere results in a smaller average particle diameter, a 2-fold increase in particle density (to 5300 particles/μm 2 ), a 3-fold increase in CNT nucleation efficiency (to 92%), and more than a 5-fold increase in CNT density (to 4800/μm 2 ). Addition of carbon during exposure to H 2 is also more effective than NH 3 at dewetting the catalyst film and increasing the CNT nucleation efficiency, in spite of NH 3 being a stronger reducing agent for iron. Insights from this study are applicable to improving CNT yield and productivity in both batch-style and continuous processes.

25 ENERGY STORAGE↗