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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Latest Constraints on Three-Flavor Neutrino Oscillation Parameters from the NOvA Experiment.

NOvA, is a two-detector, long-baseline neutrino oscillation experiment located at Fermilab, Batavia, IL, USA. The NOvA experiment was designed primarily to constrain neutrino oscillation parameters by analyzing $\nu_\mu (\bar{\nu}_\mu)$ disappearance and $\nu_e (\bar{\nu}_e)$ appearance data observed at the far detector. The Neutrinos at Main Injector (NuMI) beamline at Fermilab provides a high purity beam of neutrinos and anti-neutrinos to the experiment. The NOvA experiment consists of two functionally identical, finely granulated liquid tracking calorimeters, both situated 14.6 mrad off-axis to the beam direction. The NOvA near detector, situated 100 meters underground and 1 kilometer from the beam source, detects the non-oscillated $\nu_\mu (\bar{\nu}_\mu)$ and beam $\nu_e (\bar{\nu}_e)$ events. The far detector, located in Ash River, MN, USA, 810 kilometers from the beam source, records the non-oscillated $\nu_\mu (\bar{\nu}_\mu)$ and the oscillated $\nu_\mu (\bar{\nu}_\mu) \to \nu_e (\bar{\nu}_e)$ events. The most recent measurements of three flavor neutrino oscillation parameters based on an analysis of the data collected from neutrino-beam exposure of $26.60 \times 10^{20}$ POT and anti-neutrino beam exposure of $12.50\times 10^{20}$ POT including an additional low energy $\nu_e$ sample, will be presented in this talk.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Pharmacokinetics and relative bioavailability study of two cefquinome sulfate intramammary infusions in cow milk

In this study, two intramammary infusions of cefquinome sulfate were investigated for pharmacokinetics and bioavailability. Twelve lactating cows for each group were administered an effective dose of 75 mg/gland for cefquinome, with milk samples collected at various time intervals. The concentrations of cefquinome in milk at different times were determined by the UPLC-MS/MS method. Analyses of noncompartmental pharmacokinetics were conducted on the concentration of cefquinome in milk. Mean pharmacokinetic parameters of group A and group B following intramammary administration were as follows: AUC last 300558.57 ± 25052.78 ng/mL and 266551.3 ± 50654.85 ng/mL, C max 51786.35 ± 11948.4 ng/mL and 59763.7 ± 8403.2 ng/mL, T 1/2 5.69 ± 0.62 h and 5.25 ± 1.62 h, MRT 7.43 ± 0.79 h and 4.8 ± 0.78 h, respectively. Pharmacokinetic experiments showed that the relative bioavailability of group B was 88.69% that of group A. From our findings, group B (3 g: 75 mg) shows a quicker drug elimination process than group A (8 g: 75 mg), which suggests that the withdrawal period for the new formulation may be shorter.

Li, Shuang↗
DOE OSTI2024

Perspectives and Challenges in Bolide Infrasound Processing and Interpretation: A Focused Review with Case Studies

Infrasound sensing plays a critical role in the detection and analysis of bolides, offering passive, cost-effective global monitoring capabilities. Key objectives include determining the timing, location, and yield of these events. Achieving these goals requires a robust approach to detect, analyze, and interpret rapidly moving elevated sources such as bolides (also re-entry). In light of advancements in infrasonic methodologies, there is a need for a comprehensive overview of the characteristics that distinguish bolides from other infrasound sources and methodologies for bolide infrasound analysis. This paper provides a focused review of key considerations and presents a unified framework to enhance infrasound processing approaches specifically tailored for bolides. Three representative case studies are presented to demonstrate the practical application of infrasound processing methodologies and deriving source parameters while exploring challenges associated with bolide-generated infrasound. These case studies underscore the effectiveness of infrasound in determining source parameters and highlight interpretative challenges, such as variations in signal period measurements across different studies. Future research should place emphasis on improving geolocation and yield accuracy. This can be achieved through rigorous and systematic analyses of large, statistically significant samples of such events, aiming to resolve interpretative inconsistencies and explore the causes for variability in signal periods and back azimuths. The topic described here is also relevant to space exploration involving planetary bodies with atmospheres, such as Venus, Mars, and Titan.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Dependence of Solar Wind Proton Temperature on the Polarization Properties of Alfvénic Fluctuations at Ion-kinetic Scales

In this work, we use fluctuating magnetic helicity to investigate the polarization properties of Alfvénic fluctuations at ion-kinetic scales in the solar wind as a function of β p , the ratio of proton thermal pressure to magnetic pressure, and θ vB , the angle between the proton flow and local mean magnetic field, B 0 . Using almost 15 yr of Wind observations, we separate the contributions to helicity from fluctuations with wavevectors, k, quasi-parallel and oblique to B 0 , finding that the helicity of Alfvénic fluctuations is consistent with predictions from linear Vlasov theory. This result suggests that the nonlinear turbulent fluctuations at these scales share at least some polarization properties with Alfvén waves. Furthermore, we also investigate the dependence of proton temperature in the β p –θ vB plane to probe for possible signatures of turbulent dissipation, finding that it correlates with θ vB . The proton temperature parallel to B 0 is higher in the parameter space where we measure the helicity of right-handed Alfvénic fluctuations, and the temperature perpendicular to B 0 is higher where we measure left-handed fluctuations. This finding is inconsistent with the general assumption that by sampling different θ vB in the solar wind we can analyze the dependence of the turbulence distribution on θ kB , the angle between k and B 0 . After ruling out both instrumental and expansion effects, we conclude that our results provide new evidence for the importance of local kinetic processes that depend on θ vB in determining proton temperature in the solar wind.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Empirical Bounding Analysis and User Recommendations for a Neutron Multiplicity Detector

Neutron multiplicity detectors are useful for a variety of applications including nuclear emergency response, nuclear nonproliferation, safeguards, and criticality safety. When measuring black-box problems (i.e., when the system being measured is completely unknown) with systems that have relatively low detection efficiency, expert analysis is frequently required to determine appropriate bounds for system parameters such as neutron multiplication and neutron leakage. This is because the detection efficiency can vary wildly, which also means that the resulting system parameters can have large variations. This work applies an empirical approach to provide bounds on system parameters (such as system multiplication, neutron leakage, and detector efficiency). The results of this bounding analysis are then used as inputs to provide recommendations to users regarding criticality safety. In addition to describing the method used, this work provides sample results from a measurement campaign performed at the National Criticality Experiments Research Center (NCERC).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Latest Constraints on Three-Flavor Neutrino Oscillation Parameters from the NOvA Experiment

NOvA, is a two-detector, long-baseline neutrino oscillation experiment located at Fermilab, Batavia, IL, USA. The NOvA experiment was designed primarily to constrain neutrino oscillation parameters by analyzing $\nu_\mu (\bar{\nu}_\mu)$ disappearance and $\nu_e (\bar{\nu}_e)$ appearance data observed at the far detector using a high purity beam of neutrinos and anti-neutrinos from Fermilab's NuMI beamline. The NOvA experiment consists of two functionally identical, finely granulated liquid tracking calorimeters, both situated 14.6 mrad off-axis to the beam direction. The NOvA near detector, situated 100 meters underground and 1 kilometer from the beam source, detects the non-oscillated $\nu_\mu (\bar{\nu}_\mu)$ and beam $\nu_e (\bar{\nu}_e)$ events. The far detector, located in Ash River, MN, USA, 810 kilometers from the beam source, records the non-oscillated $\nu_\mu (\bar{\nu}_\mu)$ and the oscillated $\nu_\mu (\bar{\nu}_\mu) \to \nu_e (\bar{\nu}_e)$ events. The most recent measurements of three flavor neutrino oscillation parameters based on an analysis of the data collected from neutrino-beam exposure of $26.60 \times 10^{20}$ POT and anti-neutrino beam exposure of $12.50\times 10^{20}$ POT including an additional low energy $\nu_e$ sample, will be discussed here.

Choudhary, Brajesh [Delhi U.] (ORCID:0000000150291↗
DOE OSTI2022

The Microbial Community and Functional Potential in the Midland Basin Reveal a Community Dominated by Both Thiosulfate and Sulfate-Reducing Microorganisms

The Permian Basin is the highest producing oil and gas reservoir in the United States. Hydrocarbon resources in this region are often accessed by unconventional extraction methods, including horizontal drilling and hydraulic fracturing. Despite the importance of the Permian Basin, there is no publicly available microbiological data from this region. We completed an analysis of Permian produced water samples to understand the dynamics present in hydraulically fractured wells in this region. We analyzed produced water samples taken from 10 wells in the Permian region of the Midland Basin using geochemical measurements, 16S rRNA gene sequencing, and metagenomic sequencing. Compared to other regions, we found that Permian Basin produced water was characterized by higher sulfate and lower total dissolved solids (TDS) concentrations, with a median of 1,110 mg/L and 107,000 mg/L. Additionally, geochemical measurements revealed the presence of frac hits, or interwell communication events where an established well is affected by the pumping of fracturing fluid into a new well. The occurrence of frac hits was supported by correlations between the microbiome and the geochemical parameters. Our 16S rRNA gene sequencing identified a produced water microbiome characterized by anaerobic, halophilic, and sulfur reducing taxa. Interestingly, sulfate and thiosulfate reducing taxa including Halanaerobium, Orenia, Marinobacter, and Desulfohalobium were the most prevalent microbiota in most wells. We further investigated the metabolic potential of microorganisms in the Permian Basin with metagenomic sequencing. We recovered 15 metagenome assembled genomes (MAGs) from seven different samples representing 6 unique well sites. These MAGs corroborated the high presence of sulfate and thiosulfate reducing genes across all wells, especially from key taxa including Halanaerobium and Orenia. The observed microbiome composition and metabolic capabilities in conjunction with the high sulfate concentrations demonstrate a high potential for hydrogen sulfide production in the Permian Basin. Additionally, evidence of frac hits suggests the possibility for the exchange of microbial cells and/or genetic information between wells. This exchange would increase the likelihood of hydrogen sulfide production and has implications for the oil and gas industry.

16S RNA↗
DOE OSTI2023

Measurement of lepton universality parameters in B + → K + ℓ + ℓ – and B 0 → K* 0 ℓ + ℓ – decays

A simultaneous analysis of the B + → K + ℓ + ℓ – and B 0 → K* 0 ℓ + ℓ – decays is performed to test muon-electron universality in two ranges of the square of the dilepton invariant mass, q 2 . The measurement uses a sample of beauty meson decays produced in proton-proton collisions collected with the LHCb detector between 2011 and 2018, corresponding to an integrated luminosity of 9 fb –1 . A sequence of multivariate selections and strict particle identification requirements produce a higher signal purity and a better statistical sensitivity per unit luminosity than previous LHCb lepton universality tests using the same decay modes. Residual backgrounds due to misidentified hadronic decays are studied using data and included in the fit model. Each of the four lepton universality measurements reported is either the first in the given q 2 interval or supersedes previous LHCb measurements. The results are compatible with the predictions of the Standard Model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Method to Determine the Distribution of Substituted or Intercalated Ions in Transition-Metal Dichalcogenides: Fe x VSe 2 and Fe 1– x V x Se 2

Multiple techniques are combined to determine the amount of intercalation and/or substitution in transition-metal dichalcogenides. Kiessig fringes in the X-ray reflectivity pattern are used to calculate thickness. Laue oscillations in the specular diffraction pattern of the crystallographically aligned samples determine the number of unit cells in the coherently diffracting domains. The amount of impurity phase(s) is estimated by the difference between the thickness of the films and the size of the domains. If the difference is small relative to the total film thickness, the composition of the crystalline phase can be determined from X-ray fluorescence measurements. The number of unit cells possible can be calculated from the amount of each element determined by X-ray fluorescence measurements using in-plane lattice parameters, and the amount of the anion should agree with the number of unit cells determined from the Laue oscillations. The total amount of the metal relative to that required for the number of unit cells from the Laue oscillations provides a direct determination of the relative amount of intercalation and/or substitution in the crystalline dichalcogenide. So the utility of this approach is illustrated in Fe x V 1–y Se 2 samples. The relative amount of intercalation versus substitution was determined independently using electron microscopy and Rietveld refinement of diffraction patterns and is consistent with this new approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Adhesion Capabilities of Permanent Foaming Fixatives

DOE-EM have identified an operational requirement for a fixative that can immobilize and/or encapsulate residual contamination in 3D void volumes (pipes, gloveboxes, waste containers, etc.) during D and D activities. Failure to safely and effectively immobilize residual contamination can: Put workers at risk; Contaminate the public and environment; Drive up costs. Commercial-off-the-shelf (COTS) polyurethane (PU) foams is one possible solution and is currently being investigated by Savannah River National Lab (SRNL). Adhesion testing will dictate how well PU foams will adhere and immobilize residual contamination onto a substrate. Results can provide a performance criteria for Section 5 of ASTM E3191: Standard Specification for Permanent Foaming Fixatives Used to Mitigate Spread of Radioactive Contamination. Initial mechanical testing showed intumescent rigid PU foams were best in class (tensile, compression, TGA/DSC) Application of intumescent rigid PU foam in pipe scenario with 'contamination' showed excellent adhesion capabilities as long as foam had contact with pipe. The foam, however, was not able to penetrate 'contamination' but created pockets where the contamination interacted with the substrate. Pretreatment options of pipe were considered to produce better immobilization capabilities. Pretreatment options included COTS products like baking spray, rubber cement, and soap. Foam was still able to immobilize on a global sense, but not a local sense. Essentially acted as a mechanical plug. A tensile tester (MTS Criterion Series 43) was utilized to evaluate the tensile adhesion strength of 6 COTS PU foams. ASTM D1623: Tensile and Tensile Adhesion Properties of Rigid Cellular Plastics. Procedures: PU foams were cured between two smooth 2'' x 2'' 304 stainless steel coupons with hinges glued on plates for gripping support. Parameters Used: Pull rate of 0.1 in/min. Calculations: Tensile adhesion strength, elongation, and ImageJ analysis of how PU foam is left on substrate. Outcome: The PU foam with the best adhesion capabilities would be downselected for further evaluation to be used as a permanent foaming fixative. The rigid PU foams had the best adhesion capabilities with the R1 foam having a max load of 236 N. One of the I-R2 samples reached almost 450 N and another sample reached 2500 N before slipping. The other intumescent foam, I-F4, had the most coverage on the stainless steel coupon's surface from the ImageJ results (61.43% surface coverage). The intumescent foam, I-R2, will be the foam of choice for future testing due its fire retardant and adhesion capabilities. Future directions: Conduct the following experiment in a pipe scenario with the down-selected PU foam. Procedures: PU foam will be cured between in a 304 stainless steel pipe (ID: 4'', OD: 4.5'', Height: 4''). Parameters Used: Compression testing results will be referenced to determine if foam's adhesion strength would be greater its compression strength as its being compressed. Calculations: Compression strength, shear stress, total time elapsed. Conduct further adhesion testing with the down-selected PU foam (I-R2) to be treated as a permanent foaming fixative (PFF). Determine the minimum contact the PFF should have with the substrate for adequate results. Evaluate if PFF's adhesion capabilities is time dependent (3.1.5 of ASTM E3911). Subject PFF to seismic stressors addressed in Safety Basis of Interim Operation documents (SBIO) to further evaluate adhesion capabilities.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Adiabatic quantum decoherence in many non-interacting subsystems induced by the coupling with a common boson bath

Highlights: • System–environment quantum correlation: a main solid state NMR decoherence channel. • Non-separable system–environment model yields realistic spin decoherence rates. • New open quantum system approach explains irreversible decay of refocused NMR echoes. • Adiabatic quantum decoherence is inherently irreversible and eigen-selective. This work addresses adiabatic quantum decoherence of many-body spin systems coupled with a boson field in the framework of open quantum systems theory. We generalize the traditional spin-boson model by considering a system–environment interaction Hamiltonian that represents a partition of non-interacting subsystems and highlights the collective correlation that appears exclusively due to the coupling with a common environment. Remarkably, this simple, exactly solvable model encompasses relevant aspects of a many-body open quantum system and features the subtle quantum effects that arise when the size scales up to a macroscopic level. We derive an analytical expression for the time dependence of the density matrix elements (in the preferred basis) without assuming coarse-graining. The resulting decoherence function is eigen-selective and is a complex exponential whose exponent has a real part that introduces a decay similar to that in the spin-boson model. On the contrary, the imaginary part depends on the quantum numbers and geometry of the whole partition and does not reflect the system temperature. Motivated by decoherence in solid-state NMR, and in search of realistic numerical estimations, we apply the theoretical results to a partition of dipole-coupled spin pairs in contact with a common phonon bath, using typical parameters of hydrated salts. The proposal allows estimating the decoherence time scale in terms of the system physical constants: sound velocity and eigenvalue distribution width. As a significant novelty, the decoherence function phase depends on the eigenvalue distribution throughout the sample. It plays the leading role, overshadowing the mechanism associated with the bath thermal state. Finally, we apply the formalism to describe decoherence in the “magic echo” NMR reversal experiment. We find that the system–environment correlation explains the origin of irreversibility, and both the decoherence rate value and its dependence on the dipolar frequency, are remarkably similar to the experiment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Subnanometer Thick Native sp 2 Carbon on Oxidized Diamond Surfaces

Oxygen-terminated diamond has a wide breadth of applications, which include stabilizing near-surface color centers, semiconductor devices, and biological sensors. Despite the vast literature on characterizing functionalization groups on diamond, the chemical composition of the shallowest portion of the surface (<1 nm) is challenging to probe with conventional techniques like XPS and FTIR. In this work, we demonstrate the use of angleresolved XPS to probe the first ten nanometers of both oxygen and hydrogen terminated (100) single-crystalline diamond grown via chemical vapor deposition (CVD). With the use of consistent peakfitting methods, the peak identities and relative peak binding energies were identified for sp 2 carbon, ether, hydroxyl, carbonyl, and C−H groups for both of these diamond surface terminations. For the oxygen-terminated sample, we also quantified the thickness of the sp 2 carbon layer situated on top of the bulk sp 3 diamond bonded carbon to be 0.3 ± 0.1 nm, based on the analysis of the Auger electron spectra and D-parameter calculations. These results indicate that the majority of the oxygen is bonded to the sp 2 carbon layer on the diamond, and not directly to the sp 3 diamond bonded carbon.

Carbon↗
DOE OSTI2023

Effect of Co/SiO 2 Single-Site Heterogeneity on Small Alkane Dehydrogenation Kinetics

Atomically dispersed, high-spin Co(II) atoms in distorted tetrahedral coordination to an amorphous silica (am-SiO 2 ) support, and more recently in zeolite frameworks, are active and selective for light alkane dehydrogenation. This paper investigates how variations in the geometry of the active sites affect the ethane dehydrogenation activity of atomically dispersed Co(II) on an am-SiO 2 support. We generate a distribution of sites and determine the geometric parameters that exhibit the strongest correlation with the coordination geometry and activity of the metal atom by means of linear dimensionality reduction techniques. We perform electronic structure calculations and microkinetic modeling and deduce the mechanism and kinetics for a representative sample of sites. Irrespective of the active site geometry, the rate of ethane dehydrogenation is governed by the β-hydride elimination, which involves quartet-doublet spin-crossing and proceeds adiabatically due to strong spin-orbit coupling. Informed by the complete microkinetic analysis of the sites, we derive the reduced rate expression as a function of three site-dependent quantities. We show that these site-dependent quantities correlate with the energy of formation of the ethyl intermediate that forms via C-H bond activation. This correlation allows us to derive the site-averaged rate for the entire distribution of sites. Among various sites, the tri-coordinate and planar tetra-coordinate Co sites exhibit higher Lewis acidity than the tetrahedral sites, and consequently, higher initial rates. Finally, we discuss the implications for more active catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Machine learning the microscopic form of nematic order in twisted double-bilayer graphene

Modern scanning probe techniques, such as scanning tunneling microscopy, provide access to a large amount of data encoding the underlying physics of quantum matter. In this work, we show how convolutional neural networks can be used to learn effective theoretical models from scanning tunneling microscopy data on correlated moiré superlattices. Moiré systems are particularly well suited for this task as their increased lattice constant provides access to intra-unit-cell physics, while their tunability allows for the collection of high-dimensional data sets from a single sample. Using electronic nematic order in twisted double-bilayer graphene as an example, we show that incorporating correlations between the local density of states at different energies allows convolutional neural networks not only to learn the microscopic nematic order parameter, but also to distinguish it from heterostrain. These results demonstrate that neural networks are a powerful method for investigating the microscopic details of correlated phenomena in moiré systems and beyond.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Evidence for superionic H 2 O and diffusive He–H 2 O at high temperature and high pressure

In this work, we present the evidence of superionic phase formed in H 2 O and, for the first time, diffusive H 2 O–He phase, based on time-resolved x-ray diffraction experiments performed on ramp-laser-heated samples in diamond anvil cells. The diffraction results signify a similar bcc-like structure of superionic H 2 O and diffusive He–H 2 O, while following different transition dynamics. Based on time and temperature evolution of the lattice parameter, the superionic H 2 O phase forms gradually in pure H 2 O over the temperature range of 1350–1400 K at 23 GPa, but the diffusive He–H 2 O phase forms abruptly at 1300 K at 26 GPa. We suggest that the faster dynamics and lower transition temperature in He–H 2 O are due to a larger diffusion coefficient of interstitial-filled He than that of more strongly bound H atoms. This conjecture is then consistent with He disordered diffusive phase predicted at lower temperatures, rather than H-disordered superionic phase in He–H 2 O.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Dark Energy Survey Year 3 results: Cosmological constraints from galaxy clustering and galaxy-galaxy lensing using the MagLim lens sample

The cosmological information extracted from photometric surveys is most robust when multiple probes of the large scale structure of the Universe are used. Two of the most sensitive probes are the clustering of galaxies and the tangential shear of background galaxy shapes produced by those foreground galaxies, so-called galaxy-galaxy lensing. Combining the measurements of these two two-point functions leads to cosmological constraints that are independent of the way galaxies trace matter (the galaxy bias factor). The optimal choice of foreground, or lens, galaxies is governed by the joint, but conflicting requirements to obtain accurate redshift information and large statistics. We present cosmological results from the full 5000 deg 2 of the Dark Energy Survey’s first three years of observations (Y3) combining those two-point functions, using for the first time a magnitude-limited lens sample (MagLim) of 11 million galaxies, especially selected to optimize such combination, and 100 million background shapes. We consider two flat cosmological models, the Standard Model with dark energy and cold dark matter ( Λ CDM ) a variation with a free parameter for the dark energy equation of state ( w CDM ). Both models are marginalized over 25 astrophysical and systematic nuisance parameters. In Λ CDM we obtain for the matter density Ω m = 0.320 - 0.034 + 0.041 and for the clustering amplitude S 8 ≡ σ 8 ( Ω m / 0.3 ) 0.5 = 0.778 - 0.031 + 0.037 , at 68% C.L. The latter is only 1 σ smaller than the prediction in this model informed by measurements of the cosmic microwave background by the Planck satellite. In w CDM we find Ω m = 0.32 - 0.046 + 0.044 , S 8 = 0.777 - 0.051 + 0.049 and dark energy equation of state w = - 1.031 - 0.379 + 0.218 . We find that including smaller scales, while marginalizing over nonlinear galaxy bias, improves the constraining power in the Ω m - S 8 plane by 31% and in the Ω m - w plane by 41% while yielding consistent cosmological parameters from those in the linear bias case. These results are combined with those from cosmic shear in a companion paper to present full DES-Y3 constraints from the three two-point functions ( 3 × 2 pt ).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Identification of Non-Fermi Liquid Physics in a Quantum Critical Metal via Quantum Loop Topography

Non-Fermi liquid physics is ubiquitous in strongly correlated metals, manifesting itself in anomalous transport properties, such as a $\textit{T}$-linear resistivity in experiments. However, its theoretical understanding in terms of microscopic models is lacking, despite decades of conceptual work and attempted numerical simulations. In this work, we demonstrate that a combination of sign-problem-free quantum Monte Carlo sampling and quantum loop topography, a physics-inspired machine-learning approach, can map out the emergence of non-Fermi liquid physics in the vicinity of a quantum critical point (QCP) with little prior knowledge. Using only three parameter points for training the underlying neural network, we are able to robustly identify a stable non-Fermi liquid regime tracing the fans of metallic QCPs at the onset of both spin-density wave and nematic order. In particular, we establish for the first time that a spin-density wave QCP commands a wide fan of non-Fermi liquid region that funnels into the quantum critical point. Our study thereby provides an important proof-of-principle example that new physics can be detected via unbiased machine-learning approaches.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Influence of Nb alloying on Nb recrystallization and the upper critical field of Nb 3 ⁢Sn

Nb 3 Sn conductors are important candidates for high-field magnets for particle accelerators, and they continue to be widely used for many laboratory and NMR magnets. However, the critical current density, J c , of present Nb 3 Sn conductors declines swiftly above 12-15 T. State-of-the-art Ta- and Ti-doped strands exhibit upper critical field, H c2 , values of ~ 24-26.5 T (4.2 K) and do not reach the FCC target J c , which serves as the present stretch target for Nb 3 Sn development. As recently demonstrated, to meet this goal requires enhanced vortex pinning but an independent and supplementary approach is to significantly enhance H c2 . In this study, we have arc-melted multiple Nb alloys with added Hf, Zr, Ta and Ti and drawn them successfully into monofilament wires to investigate the possibilities of H c2 enhancement through alloying. H c2 (T) was measured for all samples in fields up to 16 T and some up to 31 T. We have found that all alloys show good agreement with the standard Werthamer, Helfand, and Hohenberg (WHH) fitting procedure without the need to adjust the paramagnetic limitation parameter (α) and spin-orbit scattering parameter (λ so ). The evaluation of dH c2 /dT near T c , which is proportional to the electronic specific heat coefficient γ and the normal state resistivity ρn, allows a better understanding of the induced disorder introduced by alloying in the A15 phase. So far, we have observed that Hf alloying of pure Nb can enhance H c2 (0) by 3-4 T to ~28 T, while adding just 1 at. %Hf or Zr into a Nb4Ta base alloy can raise H c2 (0) to ~31 T. Very importantly we find that Hf and Zr raise the alloy recrystallization temperature above the usual A15 reaction temperature range of 650°C – 750°C, thus ensuring denser A15 phase nucleation in the Nb alloy grain boundaries, possibly leading to a more homogeneous A15 phase Sn content and refined A15 grain size. Furthermore, the potential for further advancements in Nb 3 Sn properties is explored in relation to the recrystallization of the Nb alloy and the factors controlling the upper critical field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗