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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A framework for inferring and analyzing pharmacotherapy treatment patterns

Background: To discover pharmacotherapy prescription patterns and their statistical associations with outcomes through a clinical pathway inference framework applied to real-world data. Methods: We apply machine learning steps in our framework using a 2006 to 2020 cohort of veterans with major depressive disorder (MDD). Outpatient antidepressant pharmacy fills, dispensed inpatient antidepressant medications, emergency department visits, self-harm, and all-cause mortality data were extracted from the Department of Veterans Affairs Corporate Data Warehouse. Results: Our MDD cohort consisted of 252,179 individuals. During the study period there were 98,417 emergency department visits, 1,016 cases of self-harm, and 1,507 deaths from all causes. The top ten prescription patterns accounted for 69.3% of the data for individuals starting antidepressants at the fluoxetine equivalent of 20-39 mg. Additionally, we found associations between outcomes and dosage change. Conclusions: For 252,179 Veterans who served in Iraq and Afghanistan with subsequent MDD noted in their electronic medical records, we documented and described the major pharmacotherapy prescription patterns implemented by Veterans Health Administration providers. Ten patterns accounted for almost 70% of the data. Associations between antidepressant usage and outcomes in observational data may be confounded. The low numbers of adverse events, especially those associated with all-cause mortality, make our calculations imprecise. Furthermore, our outcomes are also indications for both disease and treatment. Despite these limitations, we demonstrate the usefulness of our framework in providing operational insight into clinical practice, and our results underscore the need for increased monitoring during critical points of treatment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Nanoscale inhomogeneity and the evolution of correlation strength in FeSe$$_{1-x}$$S$$_x$$

Abstract We report a comprehensive study of the nanoscale inhomogeneity and disorder on the thermoelectric properties of FeSe $$_{1-x}$$ 1 - x S $$_x$$ x ( $$0 \le x \le 1$$ 0 ≤ x ≤ 1 ) single crystals and the evolution of correlation strength with S substitution. A hump-like feature in temperature-dependent thermpower is enhanced for x = 0.12 and 0.14 in the nematic region with increasing in orbital-selective electronic correlations, which is strongly suppressed across the nematic critical point and for higher S content. Nanoscale Se/S atom disorder in the tetrahedral surroundings of Fe atoms is confirmed by scanning transmission electron microscopy measurements, providing an insight into the nanostructural details and the evolution of correlation strength in FeSe $$_{1-x}$$ 1 - x S $$_x$$ x .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Quantum phase transition in CeCoIn 5 : Experimental facts and theory

Abstract The condensed-matter community is involved in a hot debate on the nature of quantum critical points (QCP) governing the low-temperature properties of heavy fermion metals. The smeared jump-like behavior revealed both in the residual resistivity and the Hall resistivity R H , along with the violation of the time invariance symmetry and the charge invariance , include the violation of quasiparticle-hole symmetry, and provide vital clues on the origin of both the non-Fermi-liquid behavior and QCP. For the first time, based on a number of important experimental data, we show that these experimental observations point out unambiguously that QCP of is accompanied by the symmetry violation, and QCP itself is represented by the topological fermion-condensation quantum phase transition (FCQPT) connecting two Fermi surfaces of different topological charges.

Physics↗
DOE OSTI2023

Disproportionate impacts of COVID-19 in a large US city

COVID-19 has disproportionately impacted individuals depending on where they live and work, and based on their race, ethnicity, and socioeconomic status. Studies have documented catastrophic disparities at critical points throughout the pandemic, but have not yet systematically tracked their severity through time. Using anonymized hospitalization data from March 11, 2020 to June 1, 2021 and fine-grain infection hospitalization rates, we estimate the time-varying burden of COVID-19 by age group and ZIP code in Austin, Texas. During this 15-month period, we estimate an overall 23.7% (95% CrI: 22.5–24.8%) infection rate and 29.4% (95% CrI: 28.0–31.0%) case reporting rate. Individuals over 65 were less likely to be infected than younger age groups (11.2% [95% CrI: 10.3–12.0%] vs 25.1% [95% CrI: 23.7–26.4%]), but more likely to be hospitalized (1,965 per 100,000 vs 376 per 100,000) and have their infections reported (53% [95% CrI: 49–57%] vs 28% [95% CrI: 27–30%]). We used a mixed effect poisson regression model to estimate disparities in infection and reporting rates as a function of social vulnerability. We compared ZIP codes ranking in the 75th percentile of vulnerability to those in the 25th percentile, and found that the more vulnerable communities had 2.5 (95% CrI: 2.0–3.0) times the infection rate and only 70% (95% CrI: 60%-82%) the reporting rate compared to the less vulnerable communities. Inequality persisted but declined significantly over the 15-month study period. Our results suggest that further public health efforts are needed to mitigate local COVID-19 disparities and that the CDC’s social vulnerability index may serve as a reliable predictor of risk on a local scale when surveillance data are limited.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

AUTOIGNITION DELAY TIMES FOR REFORMATE GAS MIXTURES FROM METHANE GAS ENGINES

Methane slip is a prominent issue in natural gas reciprocating engines that are used in transportation and marine applications. The incomplete combustion that results in methane slip can be resolved with the introduction of hydrogen within the combustion mixture to improve methane oxidation and further enable combustion within the engine crevices where methane has previously remained unreacted. Steam methane reforming (SMR) is a common method used to produce hydrogen and can be used to design an onboard device to reduce methane slip from reciprocating engines. The development of this reformer device requires the validation of high-fidelity chemical kinetic models at the low temperatures of the crevice volumes of these engines. In this work, auto-ignition data is obtained using a shock tube at lean (φ—0.714 or λ—1.4) and stoichiometric (φ, λ = 1) equivalence ratios spanning a temperature range of 1042–1234 K at the 80-bar operating pressure of the test engine. Blends of methane, hydrogen, and reformate products from the SMR reaction are shock-heated in synthetic air, with the ignition delay time measured using an OH* chemiluminescence detector at 310 nm and a CH* detector at 430 nm. The experimental results are compared to several state-of-the-art chemical kinetic mechanisms from the literature. In general, most of the mechanisms show very good agreement with experiments at higher temperatures, with simulation results showing little deviation from experiments at lower temperatures. A sensitivity analysis was conducted, and the results reveal that the reaction H2 + CH3O2 = H + CH3O2H has a very significant role in determining low-temperature ignition delay times (IDTs) of SMR mixtures. These findings provide valuable insights into the chemical kinetics governing methane reformate combustion and contribute to the optimization of onboard reformer designs aimed at mitigating methane slip in natural gas-fueled engines.

Fraze, Matthew↗
DOE OSTI2023

A path integral ground state Monte Carlo algorithm for entanglement of lattice bosons

A ground state path integral quantum Monte Carlo algorithm is introduced that allows for the study of entanglement in lattice bosons at zero temperature. The Rényi entanglement entropy between spatial subregions is explored across the phase diagram of the one dimensional Bose-Hubbard model for systems consisting of up to L=256 L = 256 sites at unit-filling without any restrictions on site occupancy, far beyond the reach of exact diagonalization. The favorable scaling of the algorithm is demonstrated through a further measurement of the Rényi entanglement entropy at the two dimensional superfluid-insulator critical point for large system sizes, confirming the existence of the expected entanglement boundary law in the ground state. The Rényi estimator is extended to measure the symmetry resolved entanglement that is operationally accessible as a resource for experimentally relevant lattice gases with fixed total particle number.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Majorana chain and Ising model - (non-invertible) translations, anomalies, and emanant symmetries

We study the symmetries of closed Majorana chains in 1+1d, including the translation, fermion parity, spatial parity, and time-reversal symmetries. The algebra of the symmetry operators is realized projectively on the Hilbert space, signaling anomalies on the lattice, and constraining the long-distance behavior. In the special case of the free Hamiltonian (and small deformations thereof), the continuum limit is the 1+1d free Majorana CFT. Its continuum chiral fermion parity (-1)^{F_L} ( − 1 ) F L emanates from the lattice translation symmetry. We find a lattice precursor of its mod 8 ’t Hooft anomaly. Using a Jordan-Wigner transformation, we sum over the spin structures of the lattice model (a procedure known as the GSO projection), while carefully tracking the global symmetries. In the resulting bosonic model of Ising spins, the Majorana translation operator leads to a non-invertible lattice translation symmetry at the critical point. The non-invertible Kramers-Wannier duality operator of the continuum Ising CFT emanates from this non-invertible lattice translation of the transverse-field Ising model.

Physics↗
DOE OSTI2025

Two lectures on Yang-Lee edge singularity and analytic structure of QCD equation of state

These lecture notes, prepared for the 2024 XQCD PhD, provide an introduction to the analytic structure of an equation of state near a second-order phase transition and its most prominent landmark: the Yang-Lee edge singularity. In addition to discussing general properties, the notes review recent theoretical progress in locating the QCD critical point by tracking the trajectory of the Yang-Lee edge singularity.

Skokov, Vladimir (ORCID:0000000176191796)↗
DOE OSTI2023

GATE Center of Excellence in Innovative Drivetrains in Electric Automotive Technology Education (IDEATE) (Final Report)

The IDEATE project recognized that this is a critical point in history where advanced engineering solutions are required to propel the U.S. automotive industry irrevocably to the next level: the electrified drivetrain. The existing workforce is not sufficient to this task. It is imperative that automotive engineers with traditional backgrounds focused on internal-combustion and mechanical-drivetrain technologies be retrained with the most current advanced solutions in battery controls and vehicle power electronics. For the long-term success of the U.S. automakers, it is even more important that a future workforce be developed that has both broad and deep comprehension of the issues involved and the most advanced solutions known to these problems. Two campuses of the University of Colorado system joined forces to establish the GATE Center of Excellence in Innovative Drivetrains in Electric Automotive Technology Education (IDEATE). The University of Colorado Boulder (CU-Boulder) is widely regarded as having one of the top graduate programs in power electronics in the country; the University of Colorado Colorado Springs (UCCS) has unrivaled expertise in algorithms for automotive battery control. By collaborating, IDEATE built on our team’s proven strengths to develop innovative curricula and to initiate courses and programs that have provided (and continue to provide) students with a unique opportunity for holistic and specialty education in electric drivetrain technology (part-way through the project, we invited Utah State University to join the project, adding to our strength in power electronics for battery application).

42 ENGINEERING↗
DOE OSTI2020

(α,n) nuclear data scoping study

Neutrons from the (α,n) reaction are an important component of nondestructive assay techniques to determine enriched uranium and other actinide inventories in a variety of critical points in the nuclear fuel cycle. However, uncertainties in the cross section, total neutron yield and neutron spectrum, and gamma emissions from these reactions, such as 19 F(α,n) and 17,18 O(α,n), introduce large uncertainties in the determination of mass of actinides of interest and can represent several significant quantities in unaccounted material in certain facility processes. Calculations and measurements depend on accurate nuclear data; however, much of the relevant data in use today was measured in the 1980s and earlier and has not been updated. Thus, the current uncertainties in the cross sections and neutron emission spectra are unacceptably large. This report documents the results of a scoping study of (α,n) reaction data that considered the current state of the data and recommends areas of improvement. It also addresses the codes use to calculate the (α,n) neutron and gamma source terms and recommends code improvements to support required analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Characterizing Heat Transfer in sCO 2 Cycle Coolers Utilizing the Wilson Plot Technique

Effective design of coolers can decrease the capital expense of supercritical carbon dioxide (sCO 2 ) power plants. Improved datasets reporting heat transfer from the CO 2 in the cycle cooler allow design engineers to calculate the required length of heat exchanger streams more accurately, thus reducing cooler material and heat exchanger cost. This study considered a shell-and-tube heat exchanger with non-condensing CO 2 on the tube side and water flow on the shell side. The average Nusselt number on the tube side was measured employing the Wilson plot technique for a flow at a Reynolds number, Re, equal to 1×10 5 and for a heat flux to mass flux ratio, Q"/G, ranging from 50 to 350 J/kg. The results indicate that the Nusselt number, Nu, increases as the CO 2 pressure decreases towards the critical point. The results also indicate that Nu increases to maximum at Q"/G = 215 J/kg and then decreases with further increases in Q"/G. The difference in Nu measured between the horizontal and vertical heat exchanger with downward flowing CO 2 is less than the experimental error.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2021

Review and Analysis of Heat Transfer Correlations For Horizontal Pseudocritical CO 2 Heat Exchanger Applications

There is significant interest in the development of supercritical carbon dioxide (sCO 2 ) power cycles because of the potential for smaller and more energy efficient systems than a steam Rankine cycle. Heat exchanger designs typically use empirical correlations, but the applicability of these correlations near the CO 2 critical point is a potential issue. Though numerous correlations have been proposed in the literature, there are some disagreements when it comes to the accuracy. The current work recognizes the role of thermophysical properties, and its impacts on the heat transfer correlations and cycle efficiency. Heat transfer correlations proposed for horizontal flow inside circular pipes were analyzed with the help of numerical simulations. Steady state RANS simulations were performed using SST k-w turbulence model to evaluate the Nusselt number empirical correlations. It was found that the most of correlations (except Yoon) produced a Nusselt number that differed significantly with the one predicted numerically. Some of the correlations were developed for pure forced convection regime and as mentioned in Lin et al. do not account for mixed convection or free convection effects. Based on the limited observation, it appears that Yoon et al. predictions match well with the numerically predicted Nusselt Numbers. However, further analysis is required understand the applicability of various correlations and is contingent on accurate measurements or predictions of wall temperature profiles in the axial and the circumferential directions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Helions below |Gγ| = 10.5 in AGS

Polarized helion collisions are part of the Electron Ion Collider physics program. The required intensity at collision is 1.2×10 11 at 70% polarization. The EBIS source is expected to provide 2×10 11 helions/bunch at 80% polarization. To reach the EIC requirements, the AGS at extraction will need 1.5×10 11 helions/bunch and negligible polarization loss. A critical point for polarization loss in the injectors is the AGS injection energy, which can occur at either |Gγ| = 7.5 or |Gγ| = 10.5. Injection at |Gγ| = 7.5 will result in 80% beam loss and 2.5% polarization up to |Gγ| = 10.5.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Probing Supercritical Phase Transition using Ultrafast X-ray Diagnostics (Final Technical Report)

Over recent years, several hypotheses have been put forward to elucidate supercritical transition states. Despite significant progress on the fundamental understanding of fluids at these supercritical conditions, important questions concerning the microstructure and dynamical processes remain. A particular research issue is hereby the fundamental understanding of the morphology of the molecular microstructure and its effect on the macroscopic behaviour and thermodynamic response functions. It is widely believed that the supercritical state is homogeneous without structural and dynamic observables to distinguish between a liquid and a vapor. However, recent investigations have identified regions of distinct liquid-like or vapor-like properties even under supercritical conditions. Specifically, it was shown that the transition between liquid-like and vapor-like states occurs across an extension to the coexistence line, marked by almost discontinuous changes in fluid properties. This transition was first identified experimentally by Nishikawa and Tanaka and stands in contrast to the classical presentation of the supercritical state space as a featureless, homogeneous domain. Structurally, the most important properties of supercritical fluids are the dynamic heterogeneities and local density fluctuations that are present within the fluid state at the microscopic level. These inhomogeneities are associated with the formation of molecular clusters of various sizes with liquid-like properties separated by voids of unbound gas-phase molecules which continuously restructure itself at picosecond timescales. By utilizing ultrafast X-ray Photon Correlation Spectroscopy (XPCS) at the Linac Coherent Light Source (LCLS) and X-ray synchrotron measurements as an experimental probe of these structural changes at the molecular level we seek to elucidate the higher-order phase transition from a liquid-like to a vapor-like state in the region extending the critical point. Open questions we seek to address particularly with XPCS are: (i) the underlying mechanisms responsible for the density fluctuations at supercritical conditions and how these dynamical processes at the molecular level affect the thermodynamic response functions and (ii) on what timescales do dynamical processes evolve that are associated with thermalization, molecular diffusion, and intermolecular cluster transfer.

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

Magnetotransport of Sm 2 Ir 2 O 7 across the pressure-induced quantum-critical phase boundary

Rare-earth pyrochlore iridates host two interlocking magnetic sublattices of corner-sharing tetrahedra and can harbour a unique combination of frustrated moments, exotic excitations and highly correlated electrons. They are also the first systems predicted to display both topological Weyl semimetal and axion insulator phases. We have measured the transport and magnetotransport properties of single-crystal Sm 2 Ir 2 O 7 up to and beyond the pressure-induced quantum critical point for all-in-all-out (AIAO) Ir order at $p_c$ = 63 kbar previously identified by resonant X-ray scattering and close to which Weyl semimetallic behavior has been previously predicted. Our findings overturn the accepted expectation that the suppression of AIAO order should lead to metallic conduction persisting down to zero temperature. Instead, the resistivity-minimum temperature, which tracks the decrease in the AIAO ordering temperature for pressures up to 30 kbar, begins to increase under further application of pressure, pointing to the presence of a second as-yet unidentified mechanism leading to non-metallic behavior. The magnetotransport does track the suppression of Ir magnetism, however, with a strong hysteresis observed only within the AIAO phase boundary, similar to that found for Ho 2 Ir 2 O 7 and attributed to plastic deformation of Ir domains. Around $p_c$ we find the emergence of a new type of electronic phase, characterized by a negative magnetoresistance with small hysteresis at the lowest temperatures, and hysteresis-free positive magnetoresistance above approximately 5 K. The temperature dependence of our low-temperature transport data are found to be best described by a model consistent with a Weyl semimetal across the entire pressure range.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Search for 3D topological superconductors using laser-based spectroscopy (Final Technical Report)

The three-dimensional topological superconductor (3D TSC) is a novel quantum phase of matter that is predicted to exhibit exotic thermal and electrical properties, which may serve applications ranging from precision thermal management and sensing technologies to fault-tolerant quantum information processing. Over the past decade, there has been an intensive effort to realize 1D and 2D TSCs by artificially engineering them from combinations of already existing materials. For example, coupling conventional superconductors to spin-orbit coupled 1D nanowires or to 2D topological insulator surfaces by the proximity effect provides a route to realizing 1D and 2D TSCs respectively. However no artificial engineering strategy is available for a 3D TSC. Therefore, current searches are limited to intrinsically superconducting compounds whose topological properties are difficult to predict. The overarching goal of this project was to realize and to identify 3D TSCs in bulk single crystals using novel laser-based spectroscopic techniques. One major thrust was to develop ultralow temperature and ultra-high-resolution angle-resolved photoemission spectroscopy (ARPES) to directly measure the dispersion of Majorana excitations that are predicted to exist on the surfaces of 3D TSCs. Another major thrust was to develop a rational route to realize 3D TSCs by identifying their precursor phases. It is theoretically proposed that the critical fluctuations of certain ordered electronic phases can mediate Cooper pairing in odd-parity channels and lead to topological superconductivity. Therefore, 3D TSCs may potentially emerge upon suppressing these inversion symmetry broken precursor phases to a critical point with external perturbations such as pressure, strain or even light. To test this hypothesis, we studied candidate materials using a suite of symmetry-sensitive optical probes including rotational anisotropy optical second harmonic generation (RA-SHG) and time-resolved coherent phonon spectroscopy, all operable under high-pressure and low temperature environments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Improved Manufacturability and Throughput of Ultra- Transparent, Super-Insulating Aerogels

AeroShield Materials produces a novel silica aerogel material with exemplary thermal performance and unprecedented optical clarity, offering the potential for super-insulating fenestration and insulated glass to reduce thermal losses in the built environment by billions of dollars every year. One of the most significant challenges facing AeroShield today is the total amount of time that is required to produce large monolithic aerogel samples. This overall process can require as much as 144 hours total, which can significantly hinder scale-up to an economically viable product. The purpose of this Phase 1 research was to continue development of our novel aerogel manufacturing process to reduce material processing time by up to 10x, greatly improving product throughput and reducing cost. AeroShield’s manufacturing process can be divided into 4 major stages, each with their own distinct set of parameters and time requirements. Under this Phase 1 award, AeroShield was able to identify and optimize a number of these parameters, including molding materials, solvent rinse conditions, critical point drying time, and annealing conditions. AeroShield also performed thorough analyses on how these optimized parameters affected important final characteristics of the gels, including optical clarity, thermal conductivity, and dimensional stability. This campaign culminated in the production of laboratory scale aerogel samples using significantly lower process times of both 36 and 18 total hours, which represent Phase 1 Target and Stretch goals. In order to achieve widespread market adoption, monolithic sheets of the aerogel material must be made to industry-standard sizes (8’ x 12’) at a cost that provides 5-7 year or less breakeven energy savings for consumers (<$2 sq/ft). The work performed under this Phase 1 award shows that time and materials required to make aerogel samples, which make up a significant portion of their overall cost, can be greatly reduced without sacrificing quality. AeroShield plans to use these optimized processes to produce larger, product-relevant sized aerogels in order to achieve target final material costs.

Wilke, Kyle↗