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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

TIA: A forward model and analyzer for Talbot interferometry experiments of dense plasmas

Interferometry is one of the most sensitive and successful diagnostic methods for plasmas. However, owing to the design of most common interferometric systems, the wavelengths of operation and, therefore, the range of densities and temperatures that can be probed are severely limited. Talbot–Lau interferometry offers the possibility of extending interferometry measurements to x-ray wavelengths by means of the Talbot effect. While there have been several proof-of-concept experiments showing the efficacy of this method, it is only recently that experiments to probe High Energy Density (HED) plasmas using Talbot–Lau interferometry are starting to take place. To improve these experimental designs, we present here the Talbot-Interferometry Analyzer (TIA) tool, a forward model for generating and postprocessing synthetic x-ray interferometry images from a Talbot–Lau interferometer. Although TIA can work with any two-dimensional hydrodynamic code to study plasma conditions as close to reality as possible, this software has been designed to work by default with output files from the hydrodynamic code FLASH, making the tool user-friendly and accessible to the general plasma physics community. Here, the model has been built into a standalone app, which can be installed by anyone with access to the MATLAB runtime installer and is available upon request to the authors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Annihilation-limited long-range exciton transport in high-mobility conjugated copolymer films

A combination of ultrafast, long-range, and low-loss excitation energy transfer from the photoreceptor location to a functionally active site is essential for cost-effective polymeric semiconductors. Delocalized electronic wavefunctions along π-conjugated polymer (CP) backbone can enable efficient intrachain transport, while interchain transport is generally thought slow and lossy due to weak chain–chain interactions. In contrast to the conventional strategy of mitigating structural disorder, amorphous layers of rigid CPs, exemplified by highly planar poly(indacenodithiophene-co-benzothiadiazole) (IDT-BT) donor-accepter copolymer, exhibit trap-free transistor performance and charge-carrier mobilities similar to amorphous silicon. Here, we report long-range exciton transport in HJ -aggregated IDTBT thin-film, in which the competing exciton transport and exciton–exciton annihilation (EEA) dynamics are spectroscopically separated using a phase-cycling-based scheme and shown to depart from the classical diffusion-limited and strong-coupling regime. In the thin film, we find an annihilation-limited mechanism with ≪100% per-encounter annihilation probability, facilitating the minimization of EEA-induced excitation losses. In contrast, excitons on isolated IDTBT chains diffuse over 350 nm with 0.56 cm 2 s −1 diffusivity, before eventually annihilating with unit probability on first contact. We complement the pump–probe studies with temperature-dependent photocurrent and EEA measurements from 295 K to 77 K and find a remarkable correspondence of annihilation rate and photocurrent activation energies in the 140 K to 295 K temperature range.

Shi, Yuping (ORCID:0000000318289415)↗
DOE OSTI2024

Repulsive Tomonaga-Luttinger liquid in the quasi-one-dimensional alternating spin-$\frac{1}{2}$ antiferromagnet NaVOPO 4

Here, we probe the magnetic field-induced Tomonaga-Luttinger liquid (TLL) state in the bond-alternating spin1/2 antiferromagnetic (AFM) chain compound NaVOPO 4 using thermodynamic as well as local μSR and 31 P NMR probes down to mK temperatures in magnetic fields up to 14 T. The μSR and NMR relaxation rates in the gapless TLL regime decay slowly following characteristic power-law behavior, enabling us to directly determine the interaction parameter K as a function of the magnetic field. These estimates are crosschecked using magnetization and specific heat data. The field-dependent K lies in the range of 0.4 < K < 1 and indicates the repulsive nature of interactions between the spinless fermions, in line with the theoretical predictions. This renders NaVOPO 4 the first experimental realization of TLL with repulsive fermionic interactions in hitherto studied S = 1/2 bond-alternating AFM-AFM chain compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

High-Order Fractal Quantum Oscillations in Graphene/BN Superlattices in the Extreme Doping Limit

Recent studies of van der Waals (vdW) heterostructures and superlattices have shown intriguing quantum phenomena, but these have been largely explored only in the moderate carrier density regime. Here, we report the probe of high-temperature fractal Brown-Zak (BZ) quantum oscillations through magnetotransport in the extreme doping regimes by applying a newly developed electron beam doping technique. Further, this technique gives access to both ultrahigh electron and hole densities beyond the dielectric breakdown limit in graphene/BN superlattices, enabling the observation of nonmonotonic carrier-density dependence of fractal BZ states and up to fourth-order fractal BZ features despite strong electron-hole asymmetry. Theoretical tight-binding simulations qualitatively reproduce all observed fractal BZ features and attribute the nonmonotonic dependence to the weakening of superlattice effects at high carrier densities.

36 MATERIALS SCIENCE↗
DOE OSTI2023

In situ chamber for studying battery failure using high-speed synchrotron radiography

The investigation of lithium-ion battery failures is a major challenge for personnel and equipment due to the associated hazards (thermal reaction, toxic gases and explosions). To perform such experiments safely, a battery abuse-test chamber has been developed and installed at the microtomography beamline ID19 of the European Synchrotron Radiation Facility (ESRF). The chamber provides the capability to robustly perform in situ abuse tests through the heat-resistant and gas-tight design for flexible battery geometries and configurations, including single-cell and multi-cell assemblies. High-speed X-ray imaging can be complemented by supplementary equipment, including additional probes (voltage, pressure and temperature) and thermal imaging. Together with the test chamber, a synchronization graphical user interface was developed, which allows an initial interpretation by time-synchronous visualization of the acquired data. Enabled by this setup, new meaningful insights can be gained into the internal processes of a thermal runaway of current and future energy-storage devices such as lithium-ion cells.

25 ENERGY STORAGE↗
DOE OSTI2025

Measuring Local Turbulence Along the Optical Path: Multi-Beam Optical Seeing Sensor

Deflection of light along the optical path is a major source of image degradation for ground-based telescopes. Methods have been developed to measure upper atmospheric seeing based on models of the turbulence in the atmosphere, but due to boundary conditions, transmission within telescope enclosures is more complex. The Multi-beam Optical Seeing Sensor (MOSS) directly measures the component of the image quality degradation from inhomogeneity of the index of refraction within the telescope dome. MOSS outputs four near-parallel beams of light that travel along the optical path and are imaged by the telescope’s detector, landing like starlight on the telescope’s focal plane. By using a strobed light source, we can ‘freeze’ the instantaneous index variations transverse to the optical path. This system captures both ‘dome’ and ‘mirror’ seeing. Through plotting the standard deviation of differential motion between pairs of beams, MOSS enables characterization of the length scale of turbulence within the dome. The temporal coherence of temperature gradients can be probed with different pulse lengths, and the spatial coherence by comparing pairs at different separations across the aperture of the telescope. Optical path turbulence measurements, alongside other telemetry metrics, will guide thermal and airflow management to optimize image quality. A MOSS prototype was installed in the 1.2[Formula: see text]m Auxiliary Telescope (AuxTel) at the Vera C. Rubin Observatory in Chile, and preliminary data constrain the optical path turbulence with a lower bound of 1.4 arcsec. The optical path turbulence varied throughout the night of observing.

Astronomical seeing↗
DOE OSTI2020

Simulation of DWPF Chemical Process Cell Using a Reaction Calorimeter

The Defense Waste Processing Facility (DWPF) converts liquid radioactive waste into glass using a Sludge Receipt Adjustment Tank (SRAT) and Slurry Mix Evaporator (SME) in addition to other processes. The SRAT and SME processes can be simulated on a small-scale using the Mettler-Toledo Reaction Calorimeter (RC1). This equipment is able to automate the execution and monitoring of experiments involving nonradioactive chemical simulants. During the chemical processing of sludge in the SRAT process, foam begins to form and can foam over the reaction vessel. The current antifoam used at DWPF creates a risk of increased flammability and has a limited pH range. Usually, mercury is circulated back into the reaction vessel during the SRAT process, making it difficult to remove. To combat foam over, novel antifoams will be tested during the boil-up process using the RC1. To improve mercury extraction, 3D-printed coalescer columns will be tested within the Mercury Water Wash Tank (MWWT) of the RC1. Testing of Simulant Sludge Batch 6 (SB6) was performed to ensure: the sludge would form a stable foam at boiling during full SRAT/SME runs; the antifoam would reduce the amount of foam within the vessel The sludge and a Precipitate Reactor Feed Tank (PRFT) simulant with monosodium titanate (MST) were mixed separately, combined, and then heated to boiling. As shown below, the antifoam used was able to eliminate the foam within the vessel, as expected. The FormLabs Form2 3D Printer can be used to create roughly 3-inch tall and 1-inch diameter columns from clear and ceramic resins. The columns will utilize chemical and physical forces to draw the mercury out of a condensed offgas stream leaving the RC1 reaction vessel. These columns will be tested during full SRAT/SME runs on the basis of how well they are able to collect elemental mercury. In preparation for full-scale runs, the RC1 equipment was assembled onto a custom table and tested with water runs. The software used to control automation, iControl, has a user-friendly interface that allows the experiment to be altered as needed. An example of the data recorded during an experimental run is represented in Figure 1 below. Water runs were utilized as a way to prove if the RC1 system was functioning in the following areas: Boil-up rates, Chemical additions using pumps, Temperature readings, Balance readings, Probe readings, Offgas system, Agitation. Future Plans: Five novel antifoams will be tested during full SRAT/SME runs. The most effective antifoam will be utilized in DWPF's Chemical Process Cell. The design of the Mercury Extraction Coalescer can be further manipulated to increase the extraction of not only elemental mercury, but other heavy metals in environmental remediation processes as well.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Understanding grain boundary segregation under irradiation: A mesoscale modeling study

Grain boundaries (GBs) are an important component in the design of irradiation resistant materials as they play a crucial role as point defect sinks for non-equilibrium vacancies and self-interstitials. However, in the presence of sustained point defect fluxes, the coupled transport of atomic components with inherently different diffusivities often leads to radiation-induced segregation (RIS), with undesired effects on properties such as intergranular corrosion and stress-assisted cracking. In this talk, we investigate the fundamental mechanisms leading to GB segregation in BCC FeCr-based alloys using multiscale modeling and experiments. A phase-field model is employed to account for both thermodynamic and kinetic segregation mechanisms. The full Onsager transport matrix is derived using kinetic Monte Carlo, molecular dynamics, and kinetic cluster expansion (KineCluE) calculations. The thermodynamics of GB segregation is described via an atomic density-based modification to the CALPHAD free energy. The modeling predictions are then compared against segregation data from atom probe characterization for various temperatures, compositions, and neutron irradiation conditions. We will conclude by discussing the utility of the multiscale modeling approach to shed light on the fundamental mechanisms leading to solute-GB interaction.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Probe measurements of electric field and electron density fluctuations at megahertz frequencies using in-shaft miniature circuits

In this work, a four-tip electrostatic probe is constructed to measure high-frequency (0.1–10 MHz) fluctuations in both the electric field (one component) and electron density in a laboratory plasma. This probe also provides data for the local electron temperature and density. Circuits for high-frequency measurements are fabricated on two miniature boards, which are embedded in the probe shaft, near the tips to minimize the pickup of common-mode signals. The amplitude and phase response of two circuits to sinusoidal test signals are measured and compared with results from modeling. For both circuits, the phase shift between input and output signals is relatively small (<30°). The performance of the probe is verified in a high-density (~10 13 cm –3 ) and low-temperature (≲10 eV) plasma. The probe successfully measures high-frequency (~2 MHz) fluctuations in the electric field and density, which are associated with lower hybrid drift waves. This probe can provide information on the wave-associated anomalous drag, which can be compared with the classical resistivity.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

A high-temperature sample changer for parallelized in situ X-ray studies to efficiently explore reaction space

A sample environment for high-throughput X-ray scattering studies in transmission geometry to probe the mechanism and kinetics of moderate-temperature reactions in solution, molten fluxes and solids is described. This high-temperature sample changer enables efficient studies of reactions that are slow relative to the timescale of the X-ray scattering measurements by allowing up to 18 samples to be probed at the same temperature in parallel. This significantly enhances the throughput ofin situX-ray scattering studies as the sample changer effectively facilitates systematic studies that compare different reaction parameters (e.g.concentration, precursor, composition, additives), reference samples (e.g.background, pure precursors) and replicates (to demonstrate reproducibility) with enhanced consistency afforded by the quasi-simultaneous nature of the measurements. The large sample volumes, compared with those typically used for X-ray scattering measurements, are on a similar scale to those in the laboratory, making the results more directly comparable.

Chemistry↗
DOE OSTI2025

Mechanistic insights into N 2 O formation as a side product in NH 3 -SCR over small pore Cu-zeolites

Here, the present contribution provides clarity to N 2 O formation mechanisms and key influencing factors during low temperature NH 3 -SCR, with the goal of enabling the rational design of advanced SCR catalysts with low greenhouse gas impact. By studying more than 50 small pore Cu-exchanged zeolite SCR catalyst samples, including model catalysts synthesized in our laboratories and state-of-the-art industrial catalysts, we explored a wide range of factors affecting N 2 O formation. These factors included Cu loading, support Si/Al ratio, support topology, catalyst aging, reaction temperature and reactant feed composition effects. We probed N 2 O formation under both steady-state SCR, and during NH 4 NO 3 decomposition via temperature programmed desorption (TPD). Finally, we used DFT to probe energetics of possible N 2 O formation pathways. Based on these studies, we confirm that low temperature N 2 O formation occurs via multiple reaction pathways that all involve NH 4 NO 3 and are supported by Cu moieties that facilitate in-situ NO oxidation to NO 2 .

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

Cryogenic “Iodide-Tagging” Photoelectron Spectroscopy: A Sensitive Probe for Specific Binding Sites of Amino Acids

This work showcases cryogenic and temperature-dependent “iodide-tagging” photoelectron spectroscopy to probe specific binding sites of amino acids using the glycine-iodide complex (Gly?I-) as a case study. Multiple Gly?I- isomers were generated from ambient electrospray ionization and kinetically isolated in a cryogenic ion trap. These structures were characterized with temperature-dependent “iodide-tagging” negative ion photoelectron spectroscopy (NIPES) where iodide was used as the “messenger” to interpret electronic energetics and structural information of various Gly?I- isomers. Accompanied by theoretical computations and Franck-Condon simulations, a total of five cluster structures have been identified along with their various binding motifs. This work demonstrates that “iodide-tagging” NIPES is a powerful general means for probing specific binding interactions in biological molecules of interest.

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

The role of electron-scale turbulence in the JET tokamak: experiments and modelling

Dedicated electron heat transport experiments have been carried out in L- and H-mode Deuterium plasmas of the JET-ILW tokamak to identify the amount of electron heat carried by electron-scale electron temperature gradient (ETG) modes. Ion cyclotron resonance heating at different positions has been used to probe the response of the electron temperature inverse gradient length R/L Te to changes in electron heat flux qe, while different amounts of neutral beam heating allowed to scan the ratio of ion to electron temperature T e /T i , which is a key parameter for the onset of ETGs. Results indicate a steepening of the normalized qe vs R/L Te curve above R/LT e ~ 8 for T e /T i ≤ 1, suggestive of the ETG onset. Ion-scale gyro-kinetic (GK) simulations match the ion heat flux and the low-R/L Te part of the qe curve, but do not reproduce such steepening at high R/L Te . Multi-scale GK simulations covering both ion and electron scales and including one impurity bundling light and heavy species indicate an ETG contribution only for R/L Te values larger than the experimental ones. Sensitivity studies of such result are difficult to achieve due to limitation in numerical resources. The quasi-linear TGLF model has been used for sensitivity studies. With the same bundled impurity as the GK multi-scale, TGLF shows the qe steepening at much larger R/L Te values than in experiment, but when using the real mix of light impurities neglecting the heavy impurities, TGLF gets closer to the experimental results. Profile simulations with TGLF including both light and heavy impurities show over-prediction of T e profiles and in some cases also of density, but good T i predictions, confirming issues with the model electron stiffness for these plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

In situ temperature profile measurements with high-energy X-rays as a probe of optical floating zone crystal growth environment

The ability of optical floating zone (OFZ) furnaces to rapidly produce large single crystals of complex emerging materials has had a transformative effect on many scientific fields that require samples of this type. However, the crystal growth process within the OFZ furnace is not well understood owing to the challenges involved in monitoring the high-temperature crystal growth process. Novel beamline-compatible optical furnaces that approximate the inhomogeneous growth environment within an OFZ furnace have been fabricated and tested in high-energy synchrotron beamlines. In this paper, it is demonstrated that temperature profiles can be effectively extracted from powder diffraction data collected on polycrystalline ceramic rods heated at their tip. Furthermore, these measured temperature profiles can be accurately reproduced using a heat-transfer model that accounts for solid-state thermal conduction, partial sample lamp power absorption, convective air cooling and radiative cooling, allowing key thermal parameters such as thermal conductivity to be extracted from experimental data.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Modification at the C2'-O-Position with 2-Methylbenzothiophene Induces Unique Structural Changes and Thermal Transitions on Duplexes of RNA and DNA

Oligonucleotides can be chemically modified for a variety of applications that include their use as biomaterials, in therapeutics, or as tools to understand biochemical processes, among others. This work focuses on the functionalization of oligonucleotides of RNA and DNA (12- or 14-nucleotides long) with methylbenzothiophene (BT), at the C2'-O-position, which led to unique structural features. Circular dichroism (CD) analyses showed that positioning the BT units on one strand led to significant thermal destabilization, while duplexes where each strand contained 4-BT rings formed a distinct arrangement with cooperativity/interactions among the modifications (evidenced from the appearance of a band with positive ellipticity at 235 nm). Interestingly, the structural arrays displayed increased duplex stabilization (>10 °C higher than the canonical analogue) as a function of [Na + ] with an unexpected structural rearrangement at temperatures above 50 °C. Density functional theory–polarizable continuum model (DFT-PCM) calculations were carried out, and the analyses were in agreement with induced structural changes as a function of salt content. A model was proposed where the hydrophobic surface allows for an internal nucleobase rearrangement into a more thermodynamically stable structure, before undergoing full denaturation, with increased heat. While this behavior is not common, B- to Z-form duplex transitions can occur and are dependent on parameters that were probed in this work, i.e., temperature, nature of modification, or ionic content. To take advantage of this phenomenon, we probed the ability of the modified duplexes to be recognized by Zα (an RNA binding protein that targets Z-form RNA) via electrophoretic analysis and CD. Interestingly, the protein did not bind to canonical duplexes of DNA or RNA; however, it recognized the modified duplexes, in a [monovalent/divalent salt] dependent manner. Overall, the findings describe methodology to attain unique structural motifs of modified duplexes of DNA or RNA, and control their behavior as a function of salt concentration. While their affinity to RNA binding proteins, and the corresponding mechanism of action, requires further exploration, the tunable properties can be of potential use to study this, and other, types of modifications. The novel arrays that formed, under the conditions described herein, provide a useful way to explore the structure and behavior of modified oligonucleotides, in general.

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

Fluid level and conductivity sensor for high temperature applications

A fluid level and conductivity sensor having a sensing probe with four electrodes disposed therein particularly suited for high temperature applications. A distal end of the second and third electrodes are positioned a distance from the sensing end that is greater than distal ends of the first and fourth electrodes. The sensor includes an electronics system having a signal relay system for receiving signals from each of the electrodes and switching between different measurement modes by determining a resistance between selected pairs of electrodes based on instructions from the microcontroller. The measurement modes include a conductivity measurement mode in which a resistance between the first and fourth electrodes is determined, and a fluid level measurement mode in which a resistance between the first and third electrodes is determined and compared to a resistance between the second and third electrodes.

Holland, Justin M.↗
DOE OSTI2023

Constraints on a split superconducting transition under uniaxial strain in Sr 2 RuO 4 from scanning SQUID microscopy

More than two decades after the discovery of superconductivity in Sr 2 RuO 4 , it is still unclear whether the order parameter has a single component or two degenerate components. For any two-component scenario, application of uniaxial strain is expected to lift the degeneracy, generating two distinct phase transitions. The presence of a second (lower-temperature) transition may be observable by probes that are sensitive to changes in the London penetration depth, λ, as a function of temperature, T. Furthermore, we use scanning SQUID microscopy combined with a uniaxial strain device to test for a second transition under strain. We only observe a single transition. Within the temperature range where a second transition has been suggested by μSR measurements, we further place a tight upper bound of less than 1% on the change in the zero temperature superfluid density n s ∝ λ –2 (0) due to a second transition, suggesting that such a transition does not occur. These results constrain theories of the order parameter in Sr 2 RuO 4 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Probing the neutron-proton asymmetry dependence of the nuclear source temperature with light charged particles

The dependence of the nuclear temperature on the source neutron-proton (N/Z) asymmetry was experimentally investigated with the light charged particles (LCPs) generated from thirteen reaction systems with different N/Z asymmetries, 64 Zn on 112 Sn and 70 Zn, 64 Ni on 112,124 Sn, 58,64 Ni, 197 Au, 232 Th at 40 MeV/u. A rather weak N/Z asymmetry dependence of the source temperature was qualitatively inferred from the extracted N/Z asymmetry dependence of the apparent temperature and that of the relative temperature change by the sequential decay effects with the help of the theoretical simulations. Comparing the present result with those from our previous work and other available experimental results, a weak N/Z asymmetry dependence of nuclear temperature is commonly observed in different independent experiments and with different thermometers, except for the result reported by McIntosh et al. [Phys. Lett. B 719, 337 (2013)]. Here, the origin of the difference between the conclusion of the former group and that of McIntosh et al. was addressed, using statistical multifragmentation model (SMM) simulations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗