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All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Multilayer Composite Pressure Vessels

A method has been devised to enable the fabrication of lightweight pressure vessels from multilayer composite materials. This method is related to, but not the same as, the method described in gMaking a Metal- Lined Composite-Overwrapped Pressure Vessel h (MFS-31814), NASA Tech Briefs, Vol. 29, No. 3 (March 2005), page 59. The method is flexible in that it poses no major impediment to changes in tank design and is applicable to a wide range of tank sizes. The figure depicts a finished tank fabricated by this method, showing layers added at various stages of the fabrication process. In the first step of the process, a mandrel that defines the size and shape of the interior of the tank is machined from a polyurethane foam or other suitable lightweight tooling material. The mandrel is outfitted with metallic end fittings on a shaft. Each end fitting includes an outer flange that has a small step to accommodate a thin layer of graphite/epoxy or other suitable composite material. The outer surface of the mandrel (but not the fittings) is covered with a suitable release material. The composite material is filament- wound so as to cover the entire surface of the mandrel from the step on one end fitting to the step on the other end fitting. The composite material is then cured in place. The entire workpiece is cut in half in a plane perpendicular to the axis of symmetry at its mid-length point, yielding two composite-material half shells, each containing half of the foam mandrel. The halves of the mandrel are removed from within the composite shells, then the shells are reassembled and bonded together with a belly band of cured composite material. The resulting composite shell becomes a mandrel for the subsequent steps of the fabrication process and remains inside the final tank. The outer surface of the composite shell is covered with a layer of material designed to be impermeable by the pressurized fluid to be contained in the tank. A second step on the outer flange of each end fitting accommodates this layer. Depending on the application, this layer could be, for example, a layer of rubber, a polymer film, or an electrodeposited layer of metal. If the fluid to be contained in the tank is a gas, then the best permeation barrier is electrodeposited metal (typically copper or nickel), which can be effective at a thickness of as little as 0.005 in (.0.13 mm). The electrodeposited metal becomes molecularly bonded to the second step on each metallic end fitting. The permeation-barrier layer is covered with many layers of filament-wound composite material, which could be the same as, or different from, the composite material of the inner shell. Finally, the filament-wound composite material is cured in an ov

DeLay, Tom↗
NASA NTRS2012

Modeling Phase-Aligned Gamma-Ray and Radio Millisecond Pulsar Light Curves

Since the discovery of the first eight gamma-ray millisecond pulsars (MSPs) by the Fermi Large Area Telescope, this population has been steadily expanding. Four of the more recent detections, PSR J00340534, PSR J1939+2134 (B1937+21; the first MSP ever discovered), PSR J1959+2048 (B1957+20; the first discovery of a black widow system), and PSR J2214+3000, exhibit a phenomenon not present in the original discoveries: nearly phase-aligned radio and gamma-ray light curves (LCs). To account for the phase alignment, we explore models where both the radio and gamma-ray emission originate either in the outer magnetosphere near the light cylinder or near the polar caps. Using a Markov Chain Monte Carlo technique to search for best-fit model parameters, we obtain reasonable LC fits for the first three of these MSPs in the context of altitude-limited outer gap (alOG) and two-pole caustic (alTPC) geometries (for both gamma-ray and radio emission). These models differ from the standard outer gap (OG)/two-pole caustic (TPC) models in two respects: the radio emission originates in caustics at relatively high altitudes compared to the usual conal radio beams, and we allow both the minimum and maximum altitudes of the gamma-ray and radio emission regions to vary within a limited range (excluding the minimum gamma-ray altitude of the alTPC model, which is kept constant at the stellar radius, and that of the alOG model, which is set to the position-dependent null charge surface altitude). Alternatively, phase-aligned solutions also exist for emission originating near the stellar surface in a slot gap scenario (low-altitude slot gap (laSG) models). We find that the alTPC models provide slightly better LC fits than the alOG models, and both of these give better fits than the laSG models (for the limited range of parameters considered in the case of the laSG models). Thus, our fits imply that the phase-aligned LCs are likely of caustic origin, produced in the outer magnetosphere, and that the radio emission for these pulsars may come from close to the light cylinder. In addition, we were able to constrain the minimum and maximum emission altitudes with typical uncertainties of 30% of the light cylinder radius. Our results therefore describe a third gamma-ray MSP subclass, in addition to the two previously found by Venter et al.: those with LCs fit by standard OG/TPC models and those with LCs fit by pair-starved polar cap models.

Venter, C.↗
NASA NTRS2016

Foreground Bias from Parametric Models of Far-IR Dust Emission

We use simple toy models of far-IR dust emission to estimate the accuracy to which the polarization of the cosmic microwave background can be recovered using multi-frequency fits, if the parametric form chosen for the fitted dust model differs from the actual dust emission. Commonly used approximations to the far-IR dust spectrum yield CMB residuals comparable to or larger than the sensitivities expected for the next generation of CMB missions, despite fitting the combined CMB plus foreground emission to precision 0.1 percent or better. The Rayleigh-Jeans approximation to the dust spectrum biases the fitted dust spectral index by (Delta)(Beta)(sub d) = 0.2 and the inflationary B-mode amplitude by (Delta)(r) = 0.03. Fitting the dust to a modified blackbody at a single temperature biases the best-fit CMB by (Delta)(r) greater than 0.003 if the true dust spectrum contains multiple temperature components. A 13-parameter model fitting two temperature components reduces this bias by an order of magnitude if the true dust spectrum is in fact a simple superposition of emission at different temperatures, but fails at the level (Delta)(r) = 0.006 for dust whose spectral index varies with frequency. Restricting the observing frequencies to a narrow region near the foreground minimum reduces these biases for some dust spectra but can increase the bias for others. Data at THz frequencies surrounding the peak of the dust emission can mitigate these biases while providing a direct determination of the dust temperature profile.

cosmic microwave background↗
NASA NTRS2017

Exploring Connectivity in Sequence Space of Functional RNA

Emergence of replicable genetic molecules was one of the marking points in the origin of life, evolution of which can be conceptualized as a walk through the space of all possible sequences. A theoretical concept of fitness landscape helps to understand evolutionary processes through assigning a value of fitness to each genotype. Then, evolution of a phenotype is viewed as a series of consecutive, single-point mutations. Natural selection biases evolution toward peaks of high fitness and away from valleys of low fitness. whereas neutral drift occurs in the sequence space without direction as mutations are introduced at random. Large networks of neutral or near-neutral mutations on a fitness landscape, especially for sufficiently long genomes, are possible or even inevitable. Their detection in experiments, however, has been elusive. Although a few near-neutral evolutionary pathways have been found, recent experimental evidence indicates landscapes consist of largely isolated islands. The generality of these results, however, is not clear, as the genome length or the fraction of functional molecules in the genotypic space might have been insufficient for the emergence of large, neutral networks. Thorough investigation on the structure of the fitness landscape is essential to understand the mechanisms of evolution of early genomes. RNA molecules are commonly assumed to play the pivotal role in the origin of genetic systems. They are widely believed to be early, if not the earliest, genetic and catalytic molecules, with abundant biochemical activities as aptamers and ribozymes, i.e. RNA molecules capable, respectively, to bind small molecules or catalyze chemical reactions. Here, we present results of our recent studies on the structure of the sequence space of RNA ligase ribozymes selected through in vitro evolution. Several hundred thousands of sequences active to a different degree were obtained by way of deep sequencing. Analysis of these sequences revealed several large clusters defined such that every sequence in a cluster can be reached from any other sequence in the same cluster through a series of single point mutations. Sequences in a single cluster appear to adopt more than one secondary structure. The mechanism of refolding within a single cluster was examined. To shed light on possible evolutionary paths in the space of ribozymes, the connectivity between clusters was investigated. The effect of length of RNA molecules on the structure of the fitness landscape and possible evolutionary paths was examined by way of comparing functional sequences of 20 and 80 nucleobases in length. It was found that sequences of different lengths shared secondary structure motifs that were presumed responsible for catalytic activity, with increasing complexity and global structural rearrangements emerging in longer molecules.

Wei, Chenyu↗
DOE OSTI2023

Measurement of neutrino oscillations using neutrino and antineutrino beams in the NOvA experiment

NOvA is a long-baseline accelerator neutrino oscillation experiment using the NuMIneutrino beam from Fermilab. Its main physics goals are to probe the 3-flavour oscillationparameters: neutrino mass hierarchy, CP-violating phase dcp and octant of .23 mixingangle by observing electron neutrino appearance and muon neutrino disappearance. Twofunctionally identical detectors are placed off-axis from the centre of the NuMI beam.The near detector at Fermilab is 100 m underground, and the far detector is locatedon the surface at Ash River, 810 km away from the beam source. The initial neutrinobeam spectra are measured using the near detector data and the oscillation parametersare extracted by fitting the observed data to the predicted neutrino spectrum in the fardetector.This thesis is centered around how to improve the sensitivity of |.m232| and .23 measurementsin the muon neutrino disappearance analysis. NOvA will take data for about12 years. The operation of the NOvA experiment for each year costs tens of millions ofdollars, thus it is valuable to maximise the sensitivity of the analysis. Three samples ofmuon neutrino events are studied in this thesis to improve the analysis sensitivities. First,higher energy muon neutrinos are investigated by extending the energy range in NOvA’scurrent standard analysis. Second, for the sample of events used in NOvA’s existing analysis,a new energy estimator which has been developed to improve the neutrino energy resolution is considered. Furthermore, in addition to binning the events as function ofenergy and hadronic energy fraction, three particle identifiers are introduced to separateneutrino events by signal purity to reduce the effects from backgrounds. Third, an additionallower purity sample of muon neutrino charged current (CC) events that look similarto neutral current events and have not been included in NOvA’s existing analyses havebeen studied.This thesis reanalyses NOvA’s data used in the 2020 analysis, corresponding to anexposure of 13.60×1020 protons on target (POT) in the neutrino beam mode recordedfrom February 6, 2014 to March 20, 2020, and 12.50×1020 protons on target in theantineutrino beam mode recorded between June 29, 2016 to February 26, 2019. Thisthesis has implemented a fit to Asimov fake data, generated where sin2 .23 = 0.59 and.m232 = 2.5 × 10-3 eV2. These sensitivity studies show that the uncertainty range of|.m232| at 1 s in the new analysis is reduced by 5.5% and the significance of maximaldisappearance rejection improves by 7.7%, compared to the standard analysis. This isequivalent to adding 11-16% more data. The best fit values of the oscillation parametersfrom fitting to the far detector (FD) data with the new analysis are found to besin2 .23 = 0.568+0.025-0.043 (sin2 .23 = 0.454+0.046-0.026) and .m232 = 2.399+0.055-0.070 × 10-3 eV2 (.m232= -2.427+0.055-0.067 × 10-3 eV2) for the normal (inverted) hierarchy. The difference in thebest fit for sin2 .23 (.m232) between the new analysis and NOvA’s 2020 analysis is around2% (1.4%). The uncertainty range at 1 s for .m232 decrease by 8% (4%) for the normalhierarchy (inverted hierarchy) compared to the standard analysis. The uncertainty rangefor sin2 .23 is close to the standard analysis. This thesis also implements the fit from combiningelectron neutrino appearance and muon neutrino disappearance. The combinedanalysis shows that the best fit values are very close to the standard analysis. However,the uncertainty range of .m232 at 1 s is reduced by 3.7% using the new analysis. The maximaldisappearance significance is not improved in the new analysis, but the new analysisslightly improves the rejection of the disfavoured octant.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Optimal Stopping Ages for Colorectal Cancer Screening

Importance Prior studies have shown that the benefits, harms, and costs of colorectal cancer (CRC) screening at older ages are associated with a patient’s sex, health, and screening history. However, these studies were hypothetical exercises and not directly informed by data on CRC risk. Objective To identify the optimal stopping ages for CRC screening by sex, comorbidity, and screening history from a cost-effectiveness perspective. Design, Setting, and Participants This economic evaluation first validated the MISCAN-Colon (Microsimulation Screening Analysis–Colon) model against community-based CRC incidence and mortality rates for 2 subcohorts of the PRECISE (Optimizing Colorectal Cancer Screening Precision and Outcomes in Community-Based Populations) cohort. Subsequently, different CRC screening scenarios were simulated in older individuals. Cohorts of US adults aged 76 to 90 years varied by sex and comorbidity status (none, low, moderate, or severe). Statistical and sensitivity analyses were performed from March 2023 to May 2024. Exposures CRC screening histories including fecal immunochemical test (FIT) or colonoscopy, such as a negative colonoscopy result from 10, 15, 20, 25, or 30 years before the index age; 1 to 5 negative FIT results within 5 years of the index age, with different patterns of recency; or a combination of negative colonoscopy and negative FIT results. Main Outcomes and Measures The main outcomes included estimated lifetime clinical outcomes, incremental costs, and quality-adjusted life-years gained (QALYG) associated with 1 additional FIT or colonoscopy. Optimal stopping age for screening, defined as the oldest age for which the incremental cost-effectiveness ratio was still below the willingness-to-pay threshold of $\$$100 000 per QALYG, was evaluated. Results The first of the 2 PRECISE subcohorts used in validating the simulation model included 25 974 adults (15 060 females [58.0%]; 54.7% aged 76 to 80 years) with a negative colonoscopy result 10 years before the index date. The second subcohort consisted of 118 269 adults (67 058 females [56.7%]; 90.5% aged 76 to 80 years) with a negative FIT result 1 year before the index date. Older age, male sex, higher comorbidity levels, and recent CRC screenings were associated with reduced incremental benefit and cost-effectiveness of additional screening. For the reference cohort of 76-year-old females without comorbidities and a negative colonoscopy result 10 years before the index age, 1 additional colonoscopy cost $\$$38 226 per QALYG. For cohorts with otherwise equivalent characteristics, associated costs increased to $\$$1 689 945 per QALYG for females at age 90 years without comorbidities and a negative colonoscopy results 10 years before the index age, $\$$51 604 per QALYG for males at age 76 years without comorbidities and a negative colonoscopy result 10 years before the index age, and $\$$108 480 per QALYG for females at age 76 years with severe comorbidities and a negative colonoscopy result 10 years before the index age and decreased to $\$$16 870 per QALYG for females without comorbidities and a negative colonoscopy result 30 years before the index age. The optimal stopping ages across different cohorts ranged from younger than 76 to 86 years for colonoscopy and younger than 76 to 88 years for FIT. Conclusions and Relevance In this economic evaluation, age, sex, screening history, comorbidity, and future screening modality were associated with the clinical outcomes, cost-effectiveness, and optimal stopping age for CRC screening. These results can inform guideline development and patient-directed informed decision-making.

Harlass, Matthias [Erasmus Erasmus University Medi↗
DOE OSTI2023

Interactions of πK, ππK and KKπ systems at maximal isospin from lattice QCD

We study the interactions of systems of two and three nondegenerate mesons composed of pions and kaons at maximal isospin using lattice QCD, specifically $π^+K^+, π^+π^+K^+$ and $K^+K^+π^+$. Utilizing the stochastic LapH method, we determine the spectrum of these systems on two CLS $N_f$ = 2 + 1 ensembles with pion masses of 200 MeV and 340 MeV, and include many levels in different momentum frames. We constrain the K matrices describing two- and three-particle interactions by fitting the spectrum to the results predicted by the finite-volume formalism, including up to p waves. This requires also results for the $π^+π^+$ and $K^+K^+$ spectrum, which have been obtained previously on the same configurations. We explore different fitting strategies, comparing fits to energy shifts with fits to energies boosted to the rest frame, and also comparing simultaneous global fits to all relevant two- and three-particle channels to those where we first fit twoparticle channels and then add in the three-particle information. We provide the first determination of the three-particle K matrix in $π^+π^+K^+$ and $K^+K^+π^+$ systems, finding statistically significant nonzero results in most cases. We include s and $\textit{p}$ waves in the K matrix for $π^+K^+$ scattering, finding evidence for an attractive p-wave scattering length. We compare our results to Chiral Perturbation Theory, including an investigation of the impact of discretization errors, for which we provide the leading order predictions obtained using Wilson Chiral Perturbation Theory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Estimating the color lifetime of energetic quarks

Using a simple geometric framework with a realistic nuclear density distribution, we fit published HERMES data to determine fundamental properties of hadronization using the nuclear medium as a spatial analyzer. Our approach uses a fit to the transverse momentum broadening observable and the hadronic multiplicity ratio; the simultaneous fit to two different observables strongly constrains the outcome. Using the known sizes of the target nuclei, we extract the color lifetime, finding a z h -dependent range of values from 2 to 8 fm/c for these data. We also extract estimates for the qˆ transport coefficient characterizing the strength of the interaction between the quark and the cold nuclear medium, finding an average value of 0.035±0.011 GeV 2 /fm. With a three-parameter model we obtain satisfactory fits to the data with a goodness-of-fit parameter χ 2 /dof of 1.1 or less. In a secondary fit of the results from that model we independently find a value for the Lund String Model string tension of 1.00±0.05 GeV/fm. We evaluated the sensitivity for extracting quark energy loss and effective in-medium hadronic cross sections using four-parameter variants of the model, finding large uncertainties in both cases. Our results suggest that hadronic interaction of forming hadrons in the nuclear medium is the primary dynamical cause of meson attenuation in the HERMES data, with quark energy loss playing a more minor role.

Electron-ion collider↗
DOE OSTI2020

Interpreting the Operando XANES of Surface-Supported Subnanometer Clusters: When Fluxionality, Oxidation State, and Size Effect Fight.

X-ray absorption near edge structure (XANES) spectroscopy is widely used for operando catalyst characterization. We show that, for highly fluxional supported nanoclusters, the customary extraction of the oxidation state of the metal from the XANES data by fitting to the bulk standards is highly questionable. The XANES signatures as well as the apparent oxidation state for such clusters arise from a complex combination of many factors, and not only from the chemical composition in reaction conditions (e.g., oxygen content in oxidizing atmosphere). The thermally accessible isomerization and population of several structurally distinct cluster forms, cluster-support interaction, and intrinsic size effects all impact the metal oxidation state and XANES signal. We demonstrate this on copper oxide clusters with different compositions, Cu4Ox(x = 2-5) and Cu5Oy (y = 3, 5), deposited on amorphous alumina and ultrananocrystalline diamond, for which we computed the XANES spectra and compare the results to the experiment. We show in addition that fitting the experimental spectrum to calculated spectra of supported clusters can, in contrast, provide good agreement and insight into the spectrum-composition-structure relation. Experimental XANES interpreted using the proposed fitting scheme shows the partial reduction of Cu oxide clusters at rising temperatures, and pinpoints the specific stoichiometries that dominate in the ensemble of cluster states as the temperature changes.

Zandkarimi, Borna↗
DOE OSTI2022

WUS256: An Adjoint Waveform Tomography Model of the Crust and Upper Mantle of the Western United States for Improved Waveform Simulations

Abstract We report a new model (WUS256) of radially anisotropic seismic wavespeeds of the crust and upper mantle of the western United States (WUS) obtained from adjoint waveform tomography for the purpose of improving synthetic waveform fits to observed data. WUS256 is based on inversion of over 94,000 waveforms from 72 earthquakes recorded by nearly 3,400 stations. We started with the SPiRaL global model (Simmons et al., 2021, https://doi.org/10.1093/gji/ggab277 ) and waveforms in the period band of 50–120 s. We followed a conservative multiscale inversion approach with eight stages and 256 total inversion iterations which enabled monotonic misfit reduction to 20‐s minimum‐period waves. WUS256 relied on time‐frequency (TF) phase misfits and a trust region limited memory Broyden–Fletcher–Goldfarb–Shanno (L‐BFGS) optimization. Hessian‐vector products were used to qualitatively assess model resolution. Results indicate that WUS256 has good coverage of the continental regions to depths of about 150 km and is able to resolve features on lateral scales of about 200 km. We quantify waveform fits by the reduction in TF and normalized amplitude difference misfits between WUS256 and the SPiRaL starting model. WUS256 significantly improves waveform fits with misfit reduction 64% for both inversion and validation data sets compared to the SPiRaL starting model and shows even better fits compared to other models. Waveform fits illustrate that WUS256 reproduces body‐waves, fundamental mode surface waves as well as late arriving dispersed and/or scattered short period surface waves. The improvement in waveform fit indicates that WUS256 can be used to reproduce path effects on regional complete waveforms and moment tensor inversions.

58 GEOSCIENCES↗
DOE OSTI2026

Low energy neutron light output characterization of EJ301D and deuterated stilbene with a comparison of light output characterization methods

The neutron-induced light yield of a 2.54 cm diameter by 2.54 cm long right circular cylinder of EJ301D and a (5.08 cm)3 custom made cube of deuterated trans-stilbene-d12 (d-stilbene) were measured over incident neutron energies from 300 keV to 2.2 MeV and 200 keV to 2.4 MeV, respectively. The measurements were performed using a time-of-flight experiment with a Cf-252 source and an approximately 1.5 m flight path. We compare three light output spectrum full energy deposition edge estimation methods: (1) simulating the neutron energy spectrum edge and fitting it to the light output spectrum, (2) using the inflection point of the light output spectrum edge (derivative method, a.k.a. Kornilov’s method), and (3) using an empirical model fit to the edge of the light output spectrum. Both the derivative and equation fit methods do not account for physical processes such as multiple neutron scattering in the detectors. They instead rely on assumptions about the linear shape continuum shape of the light output spectrum and the direct correlation between the location of the spectrum’s inflection point and maximum energy deposition. These assumptions were found to introduce bias into those methods when tested against simulated spectra with known edge locations. When tested against measured spectra the derivative method was found to differ from the simulation fit by greater than 30% at low energies with large discontinuities for adjacent data points above 800 keV incident neutron energy. The empirical equation fitting method was found to also exhibit bias of a similar magnitude, but with significantly more continuous behavior, especially with the lower count data of the smaller volumed EJ301D scintillator. Experimental light output yield for this neutron energy range is reported using the simulated spectrum fitting method because it includes physics neglected by the other methods, and did not exhibit the bias observed in the other methods

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Enabling complete multichannel nonadiabatic dynamics: A global representation of the two-channel coupled, 1,2 1 A and 1 3 A states of NH 3 using neural networks

Global coupled three-state two-channel potential energy and property/interaction (dipole and spin–orbit coupling) surfaces for the dissociation of NH 3 (Ã) into NH + H 2 and NH 2 + H are reported. The permutational invariant polynomial-neural network approach is used to simultaneously fit and diabatize the electronic Hamiltonian by fitting the energies, energy gradients, and derivative couplings of the two coupled lowest-lying singlet states as well as fitting the energy and energy gradients of the lowest-lying triplet state. The key issue in fitting property matrix elements in the diabatic basis is that the diabatic surfaces must be smooth, that is, the diabatization must remove spikes in the original adiabatic property surfaces attributable to the switch of electronic wavefunctions at the conical intersection seam. Here, we employ the fit potential energy matrix to transform properties in the adiabatic representation to a quasi-diabatic representation and remove the discontinuity near the conical intersection seam. The property matrix elements can then be fit with smooth neural network functions. The coupled potential energy surfaces along with the dipole and spin–orbit coupling surfaces will enable more accurate and complete treatment of optical transitions, as well as nonadiabatic internal conversion and intersystem crossing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Potential energy surfaces for high-energy N + O 2 collisions

Potential energy surfaces for high-energy collisions between an oxygen molecule and a nitrogen atom are useful for modeling chemical dynamics in shock waves. In the present work, we present doublet, quartet, and sextet potential energy surfaces that are suitable for studying collisions of O 2 ( 3 Σ$^{–}_{g}$) with N( 4 S) in the electronically adiabatic approximation. Two sets of surfaces are developed, one using neural networks (NNs) with permutationally invariant polynomials (PIPs) and one with the least-squares many-body (MB) method, where a two-body part is an accurate diatomic potential and the three-body part is expressed with connected PIPs in mixed-exponential-Gaussian bond order variables (MEGs). We find, using the same dataset for both fits, that the fitting performance of the PIP-NN method is significantly better than that of the MB-PIP-MEG method, even though the MB-PIP-MEG fit uses a higher-order PIP than those used in previous MB-PIP-MEG fits of related systems (such as N 4 and N 2 O 2 ). However, the evaluation of the PIP-NN fit in trajectory calculations requires about 5 times more computer time than is required for the MB-PIP-MEG fit.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

The Atacama Cosmology Telescope: delensed power spectra and parameters

We present ΛCDM cosmological parameter constraints obtained from delensed microwave background power spectra. Lensing maps from a subset of DR4 data from the Atacama Cosmology Telescope (ACT) are used to undo the lensing effect in ACT spectra observed at 150 and 98 GHz. At 150 GHz, we remove the lensing distortion with an effective efficiency of 30% (TT), 30% (EE), 26% (TE) and 20% (BB); this results in detections of the delensing effect at 8.7σ (TT), 5.1σ (EE), 2.6σ (TE), and 2.4σ (BB) significance. The combination of 150 and 98 GHz TT, EE, and TE delensed spectra is well fit by a standard ΛCDM model. We also measure the shift in best-fit parameters when fitting delensed versus lensed spectra; while this shift does not inform our ability to measure cosmological parameters, it does provide a three-way consistency check among the lensing inferred from the best-fit parameters, the lensing in the CMB power spectrum, and the reconstructed lensing map. This shift is predicted to be zero when fitting with the correct model since both lensed and delensed spectra originate from the same region of sky. Furthermore, fitting with a ΛCDM model and marginalizing over foregrounds, we find that the shift in cosmological parameters is consistent with zero. Our results show that gravitational lensing of the microwave background is internally consistent within the framework of the standard cosmological model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Inverse modeling of circular lattices via orbit response measurements in the presence of degeneracy

The number and location of beam position monitors (BPMs) and steerers with respect to the quadrupoles in a circular lattice can lead to degeneracy in the context of fitting linear optics and extracting lattice information from measured closed orbits. Furthermore, the measurement uncertainties due to the imperfection of BPMs and steerers can be propagated by the fitting process in ways that prohibit the successful extraction of discrepancies between lattice elements in the real machine and their description in the corresponding model. We systematically studied the influence of the placement of BPMs and steerers on the reconstruction of linear optics and corresponding lattice information. The derivative of orbit response coefficients with respect to the quadrupole strengths, the Jacobian, is derived as an analytical formula. This analytical version of the Jacobian is used to further derive the theoretical limitations of fitting linear optics from closed orbits in terms of the placement of BPMs and steerers. It is further demonstrated that when evaluating the Jacobian during the fitting procedure, the analytical version can be used in place of the conventional finite-difference computation. This allows for greatly improved efficiency when computing the Jacobian during each iteration of the fitting procedure. The approach is tested with large-scale simulations and the findings are verified by measurement data taken on SIS18 synchrotron at GSI Helmholtz Centre for Heavy Ion Research. The presented methods are of general nature and can be applied to other accelerator lattices as well. The fitting procedure by using the analytical Jacobian is tested in conjunction with various methods for mitigating quasidegeneracy and the results agree with those obtained by using the conventional Jacobian via finite-difference approximation.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Hidden conformal symmetry from the lattice

We analyze newly expanded and refined data from lattice studies of an SU(3) gauge theory with eight Dirac fermions in the fundamental representation. We focus on the light composite states emerging from these studies, consisting of a set of pseudoscalars and a single light scalar. We first consider the view that this theory is just outside the conformal window. In this case, the pseudoscalars arise from spontaneous breaking of chiral symmetry. Identifying the scalar in this case as an approximate dilaton, we fit the lattice data to a dilaton effective field theory, finding that it yields a good fit even at lowest order. For comparison, we then consider the possibility that the theory is inside the conformal window. The fermion mass provides a deformation, triggering confinement. We employ simple scaling laws to fit the lattice data, and find that it is of lesser quality.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Symmetry-mode analysis for local structure investigations using pair distribution function data

Symmetry-adapted distortion modes provide a natural way of describing distorted structures derived from higher-symmetry parent phases. Structural refinements using symmetry-mode amplitudes as fit variables have been used for at least ten years in Rietveld refinements of the average crystal structure from diffraction data; more recently, this approach has also been used for investigations of the local structure using real-space pair distribution function (PDF) data. Here, the value of performing symmetry-mode fits to PDF data is further demonstrated through the successful application of this method to two topical materials: TiSe2, where a subtle but long-range structural distortion driven by the formation of a charge-density wave is detected, and MnTe, where a large but highly localized structural distortion is characterized in terms of symmetry-lowering displacements of the Te atoms. Here, the analysis is performed using fully open-source code within the DiffPy framework via two packages developed for this work: isopydistort, which provides a scriptable interface to the ISODISTORT web application for group theoretical calculations, and isopytools, which converts the ISODISTORT output into a DiffPy-compatible format for subsequent fitting and analysis. These developments expand the potential impact of symmetry-adapted PDF analysis by enabling high-throughput analysis and removing the need for any commercial software.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Advanced EXAFS analysis techniques applied to the L -edges of the lanthanide oxides

The unique properties of the lanthanide (Ln) elements make them critical components of modern technologies, such as lasers, anti-corrosive films and catalysts. Thus, there is significant interest in establishing structure–property relationships for Ln-containing materials to advance these technologies. Extended X-ray absorption fine structure (EXAFS) is an excellent technique for this task considering its ability to determine the average local structure around the Ln atoms for both crystalline and amorphous materials. However, the limited availability of EXAFS reference spectra of the Ln oxides and challenges in the EXAFS analysis have hindered the application of this technique to these elements. The challenges include the limited k-range available for the analysis due to the superposition of L-edges on the EXAFS, multielectron excitations (MEEs) creating erroneous peaks in the EXAFS and the presence of inequivalent absorption sites. Herein, we removed MEEs to model the local atomic environment more accurately for light Ln oxides. Further, we investigated the use of cubic and non-cubic lattice expansion to minimize the fitting parameters needed and connect the fitting parameters to physically meaningful crystal parameters. The cubic expansion reduced the number of fitting parameters but resulted in a statistically worse fit. The non-cubic expansion resulted in a similar quality fit and showed non-isotropic expansion in the crystal lattice of Nd 2 O 3 . In total, the EXAFS spectra and the fits for the entire set of Ln oxides (excluding promethium) are included. The knowledge developed here can assist in the structural determination of a wide variety of Ln compounds and can further studies on their structure–property relationships.

36 MATERIALS SCIENCE↗