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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Reward based optimization of resonance-enhanced piezoresponse spectroscopy

Dynamic spectroscopies in scanning probe microscopy (SPM) are critical for probing material properties, such as force interactions, mechanical properties, polarization switching, electrochemical reactions, and ionic dynamics. However, the practical implementation of these measurements is constrained by the need to balance imaging time and data quality. Signal to noise requirements favor long acquisition times and high frequencies to improve signal fidelity. However, these are limited on the low end by contact resonant frequency and photodiode sensitivity and on the high end by the time needed to acquire high-resolution spectra or the propensity for sample degradation under high field excitation over long times. The interdependence of key parameters such as instrument settings, acquisition times, and sampling rates makes manual tuning labor-intensive and highly dependent on user expertise, often yielding operator-dependent results. These limitations are prominent in techniques like dual amplitude resonance tracking in piezoresponse force microscopy that utilize multiple concurrent feedback loops for topography and resonance frequency tracking. Here, a reward-driven workflow is proposed that automates the tuning process, adapting experimental conditions in real time to optimize data quality. Furthermore, this approach significantly reduces the complexity and time required for manual adjustments and can be extended to other SPM spectroscopic methods, enhancing overall efficiency and reproducibility.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Direct reactions for astrophysical p-capture rates with ORRUBA and GODDESS

Understanding the nucleosynthesis and energy generation in quiescent and explosive stellar burning requires a detailed understanding of reaction rates on many unstable nuclides. Such reaction rates are often governed by the properties of low-lying, isolated proton resonances. Though direct measurements of resonance strengths are ultimately desired, and are a focus of rare isotope beam facilities worldwide, such tour-de-force experiments must be guided by indirect techniques, in order to know resonance energies, J π assignments, and estimated widths, to inform targeted measurements. Furthermore, some important low-lying resonances may be too weak for direct measurements with radioactive beams, and indirect techniques provide the only practical constraints. Additionally, there has been growing interest in the astrophysical role of isomeric states, which can influence the reaction flow in nucleosynthetic reaction networks, and hence impact the quantitative interpretation of astronomical observables, such as γ-ray signatures, and elemental and isotopic ratios. Properties of single-proton resonances can be obtained by exploiting the selectivity of direct reactions, such as single-nucleon transfer and charge-exchange reactions. Constraining proton-capture rates via direct reactions has been a focus of the astrophysics program at ORNL for over two decades, spurring the development of the ORRUBA and GODDESS detector systems. Herein, a review of recent developments in instrumentation and radioactive beam delivery (including isomeric beam experiments) is presented, along with some specific examples of astrophysically interesting sd-shell nuclides, which have been a target of recent ORRUBA and GODDESS experiments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Resonant ultrasound spectroscopy measurement and modeling of additively manufactured octet truss lattice cubes

In this work, the elastic characteristics of additively manufactured Ti-5553 octet truss lattice cubes were examined using resonant ultrasound spectroscopy (RUS) techniques and correlated to X-ray computed tomography measurements of strut continuity. RUS models and measurements identified an outlier lattice possessing lower effective modulus despite larger effective density. Here, experimental measurements of density and effective Young's modulus were treated as input parameters in a homogenous anisotropic continuum model. The continuum model exhibited good agreement with experimental RUS measurements, thus confirming the potential for a simplified approximation of the octet truss lattice.

42 ENGINEERING↗
DOE OSTI2020

Direct Envelope Modeling of Load-Resonant Inverter for Wireless Power Transfer Applications

This paper presents the application of direct envelope modeling technique to primary side LCC tuned resonant wireless power transfer system. The method adapted here decomposes the HF resonant inverter output to a fundamental component and two dominant sidebands. The small-signal dutycycle-to-primary-coil-current-envelope transfer function of a primary side LCC tuned WPT system is then derived as the summation of the responses to the fundamental and the sideband components. The theoretical and simulation results are in good agreement indicating the validity of the approach to be applied to WPT systems.

Galigekere, Veda Prakash↗
DOE OSTI2021

Large spin-to-charge conversion in ultrathin gold-silicon multilayers

Investigation of the spin Hall effect in gold has triggered increasing interest over the past decade, since gold combines the properties of a large bulk spin-diffusion length and strong interfacial spin-orbit coupling. However, discrepancies between the values of the spin Hall angle of gold reported in the literature have brought into question the microscopic origin of the spin Hall effect in Au. Here, we investigate the thickness dependence of the effective spin-charge conversion efficiency in single Au films and ultrathin Au/Si multilayers by nonlocal transport and spin-torque ferromagnetic resonance measurements. We show that the inferred effective spin-charge conversion efficiency is strongly enhanced in ultrathin Au/Si multilayers, reaching exceedingly large values of 0.99 ± 0.34 when the thickness of the individual Au layers is scaled down to 2 nm. These findings reveal the coexistence of a strong interfacial spin-to-charge conversion effect, which becomes dominant in ultrathin Au, and bulk spin Hall effect with a relatively low bulk spin Hall angle of 0.012 ± 0.005. Furthermore, our experimental results suggest the key role of the intrinsic spin Hall effect enhancement along with a strong interfacial spin-orbit coupling-related effect in the large spin-to-charge conversion in ultrathin Au.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Phase-Imaging Ion-Cyclotron-Resonance mass spectrometry with the Canadian Penning Trap at CARIBU

The Canadian Penning Trap mass spectrometer (CPT) has conducted precision mass measurements of neutron-rich nuclides from the CAlifornium Rare Isotope Breeder Upgrade (CARIBU) of the Argonne Tandem Linac Accelerator System (ATLAS) facility at Argonne National Laboratory using the Phase-Imaging Ion-Cyclotron-Resonance (PI-ICR) technique for over half a decade. Here, in this study, we discuss the CPT system, and methods to improve accuracy and precision in mass measurement using PI-ICR including some optimization techniques and recently studied systematic effects.

Penning trap mass spectrometry↗
DOE OSTI2022

Gaussian mixture model clustering algorithms for the analysis of high-precision mass measurements

The development of the phase-imaging ion-cyclotron resonance (PI-ICR) technique for use in Penning trap mass spectrometry (PTMS) increased the speed and precision with which PTMS experiments can be carried out. In PI-ICR, data sets of the locations of individual ion hits on a detector are created showing how ions cluster together into spots according to their cyclotron frequency. Ideal data sets would consist of a single, 2D-spherical spot with no other noise, but in practice data sets typically contain multiple spots, non-spherical spots, or significant noise, all of which can make determining the locations of spot centers non-trivial. A method for assigning groups of ions to their respective spots and determining the spot centers is therefore essential for further improving precision and confidence in PI-ICR experiments. Here, we present the class of Gaussian mixture model (GMM) clustering algorithms as an optimal solution. We show that on simulated PI-ICR data, several types of GMM clustering algorithms perform better than other clustering algorithms over a variety of typical scenarios encountered in PI-ICR. The mass spectra of 163Gd, 163 mGd, 162 Tb, and 162 mTb measured using PI-ICR at the Canadian Penning trap mass spectrometer were checked using GMMs, producing results that were in close agreement with the previously published values.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Nanoparticle Tracking to Probe Transport in Porous Media

From the granular and fractured subsurface environment to highly engineered polymer membranes used in pharmaceutical purification, porous materials are ubiquitous in nature and industrial applications. In particular, porous media are used extensively in processes including water treatment, pharmaceutical sterilization, food/beverage processing and heterogeneous catalysis, where hindered mass transport is either essential to the process or a necessary, but undesirable limitation. Unfortunately, there are currently no universal models capable of predicting mass transport based on a description of the porous material because real porous materials are complex, and because many coupled dynamic mechanisms (e.g. adsorption, steric effects, hydrodynamic effects, electrostatic interactions, etc.) give rise to the observed macroscopic transport phenomena. While classical techniques, like nuclear magnetic resonance and dynamic light scattering, provide useful information about mass transport in porous media at the ensemble level, they provide limited insight into the microscopic mechanisms that give rise to complex phenomena such as anomalous diffusion, hindered pore-space accessibility, and unexpected retention under flow, among many others. To address this issue, we have developed refractive index matching imaging systems, combined with single-particle tracking methods, allowing the direct visualization of single particle motion within a variety of porous materials. Here, we summarize our recent efforts to advance the understanding of nanoparticle transport in porous media using single-particle tracking methods in both fundamental and applied scenarios. First, we describe the basic principles for two-dimensional and three-dimensional single-particle tracking in porous materials. Then, we describe concrete examples of nanoparticle transport in porous materials from two perspectives: (1) understanding fundamental elementary particle transport processes in porous media, including pore accessibility and cavity escape, which limit transport in porous media; (2) facilitating applications in industrial processes, e.g. by understanding the mechanisms of particle fouling and remobilization in filtration membranes. Finally, we provide an outlook of opportunities associated with investigating other types of mass transport in confined environments using single-particle tracking methods, including electrophoretic and self-propelled motion.

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

Adaptative Survival of Aspergillus fumigatus to Echinocandins Arises from Cell Wall Remodeling Beyond β-1,3-glucan Synthesis Inhibition

Antifungal echinocandins inhibit the biosynthesis of β-1,3-glucan, a major and essential polysaccharide component of the fungal cell wall. However, the efficacy of echinocandins against the pathogen Aspergillus fumigatus is limited. Here, we use solid-state nuclear magnetic resonance (ssNMR) and other techniques to show that echinocandins induce dynamic changes in the assembly of mobile and rigid polymers within the A. fumigatus cell wall. The reduction of β-1,3- glucan induced by echinocandins is accompanied by a concurrent increase in levels of chitin, chitosan and highly polymorphic α-1,3-glucans, whose physical association with chitin maintains cell wall integrity and modulates water permeability. The rearrangement of the macromolecular network is dynamic and controls the permeability and circulation of the drug throughout the cell wall. Thus, our results indicate that echinocandin treatment triggers compensatory rearrangements in the cell wall that may help A. fumigatus to tolerate the drugs’ antifungal effects.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Poplar lignin structural changes during extraction in γ-valerolactone (GVL)

In this paper, we describe an approach for producing both high quality and high quantity of lignin through studying the structural change of lignin during treatment of poplar wood in γ-valerolactone (GVL) for a range of temperatures (from 80 to 120 °C) and reaction time at temperature (from 1 to 24 h). Throughout the study, various techniques, including nuclear magnetic resonance (NMR) spectroscopies (solution- and gel-state 1 H –13 C 2D HSQC and 31 P) and gel-permeation chromatography (GPC) were applied to characterize the lignin structures. As the GVL-extracted lignin yield increases, the level of β-ether units decreases and the level of condensation products increases. The β-ether content, the aliphatic hydroxyl group content, and the molecular weight of the GVL-extracted lignin fractions were close to the poplar lignin from other preparation methods (e.g., enzyme lignin). A two-step hydrolytic process (120 °C, 2 × 15 min) gave a higher lignin yield (56.5% vs. 54.8%) with three times higher β-ether content (31.9% vs. 10.6%) than lignin extracted from a single-step process at 120 °C for 1 h. The results demonstrate that multiple-step cycling of cosolvent-assisted hydrolysis can help preserve more of the virgin ether-bond structures of GVL-extracted poplar lignin. Such a strategy can also be applied to a fully continuous-flow reactor system in future research to further improve both the productivity and quality of GVL-extracted lignin.

2D HSQC NMR↗
DOE OSTI2023

Correcting aberrations of a transverse-field neutron resonance spin echo instrument

Neutron resonance spin echo (NRSE) technique has the potential to increase the Fourier time and energy resolution in neutron scattering by using radio frequency (rf) neutron spin-flippers. However, aberrations arising from variations in the neutron path length between the rf flippers reduce the polarization. Here, we develop and test a transverse static-field magnet, a series of which are placed between the rf flippers, to correct for these aberrations. The prototype correction magnet was both simulated in an NRSE beamline using McStas, a Monte Carlo neutron ray-tracing software package, and measured using neutrons. The results from the prototype demonstrate that this static-field design corrects for transverse-field NRSE aberrations.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Exploring isospin symmetry breaking in exotic nuclei: High-precision mass measurement of 23 Si and shell-model calculations of 𝑇 = 5/2 nuclei

Here, we present a high-precision mass measurement of the proton-rich nucleus 23 Si, performed with the LEBIT Penning trap at the Facility for Rare Isotope Beams (FRIB) utilizing the time-of-flight ion cyclotron resonance (TOF-ICR) technique. We determined a mass excess of 23362.9(5.8) keV, which agrees with a recent storage-ring measurement from the experimental Cooler-Storage Ring (CSRe) in Lanzhou but has a factor of 20 improved precision 23 Si is hence the nucleus with the most precisely known mass among all nuclei with an isospin projection of 𝑇 𝑧 = −5/2. We performed shell-model calculations with the USDC and USDCm Hamiltonians to study binding energy differences and Thomas-Ehrmann shifts in mirror systems with an isospin up to 𝑇 = 5/2. Our experimental result and other recently reported masses of neutron-deficient sd-shell nuclei agree well with the theoretical predictions, demonstrating that isospin symmetry breaking in sd-shell nuclei—even at high isospin values—is well described by modern shell-model calculations.

20 ≤ A ≤ 38↗
DOE OSTI2022

High-Cooperativity Coupling of Rare-Earth Spins to a Planar Superconducting Resonator

The interfacing of a superconducting microwave resonator with rare-earth-doped crystals presents a promising hybrid quantum system for applications including spin-assisted transducers and memories. The coupling strength between the spins of the rare-earth ions and the microwave photons is characterized by the cooperativity. Here, we report an ultrahigh cooperativity of C~650 between rare-earth spins and a planar superconducting microwave resonator that features a highly uniform magnetic field for harnessing the strong anisotropic coupling strength of erbium-doped yttrium orthosilicate. This cooperativity rivals that from a bulk dielectric resonator and may pave a path for efficient coupling of spins with microwave photons on an integrated platform.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Optimal coupling of Ho W 10 molecular magnets to superconducting circuits near spin clock transitions

A central goal in quantum technologies is to maximize GT 2 , where G stands for the coupling of a qubit to control and readout signals and T 2 is the qubit’s coherence time. Furthermore, this is challenging, as increasing G (e.g., by coupling the qubit more strongly to external stimuli) often leads to deleterious effects on T 2 . Here, we study the coupling of pure and magnetically diluted crystals of Ho W 10 magnetic clusters to microwave superconducting coplanar waveguides. Absorption lines give a broadband picture of the magnetic energy level scheme and, in particular, confirm the existence of level anticrossings at equidistant magnetic fields determined by the combination of crystal field and hyperfine interactions. Such “spin clock transitions” are known to shield the electronic spins against magnetic field fluctuations. The analysis of the microwave transmission shows that the spin-photon coupling also becomes maximum at these transitions. The results show that engineering spin-clock states of molecular systems offers a promising strategy to combine sizable spin-photon interactions with a sufficient isolation from unwanted magnetic noise sources.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

High-volume tunable resonator for axion searches above 7 GHz

In this research, we present results from an experimental demonstration of a tunable thin-shell axion haloscope whose geometry decouples its overall volume from its resonant frequency, thereby evading the steep sensitivity degradation at high frequencies. An aluminum 2.6-l (41⁢λ 3 ) prototype, which tunes from 7.1 to 8.0 GHz, was fabricated and characterized at room temperature. An axion-sensitive, straightforwardly tunable TM 010 mode is clearly identified with a room-temperature quality factor, Q, of approximately 5000. The on-resonance E-field distribution is mapped and found to agree with numerical calculations. Anticipating future cryogenic operation, we develop an alignment protocol relying only on rf measurements of the cavity, maintaining a form factor of 0.57 across the full tuning range. These measurements demonstrate the feasibility of cavity-based haloscopes with operating volume V $\gg$ λ 3 . We discuss plans for future development and the parameters required for a thin-shell haloscope exploring the postinflationary axion parameter space (approximately 4 to 30 GHz) at Dine-Fischler-Srednicki-Zhitnitsky sensitivity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Probing the Atomic Scale Mechanisms of Time Dependent Dielectric Breakdown in Si/SiO 2 MOSFETs (June 2022)

Here we report on an atomic-scale study of trap generation in the initial/intermediate stages of time-dependent dielectric breakdown (TDDB) in high-field stressed (100) Si/SiO2 MOSFETs using two powerful analytical techniques: electrically detected magnetic resonance (EDMR) and near-zero-field magnetoresistance (NZFMR). We find the dominant EDMR-sensitive traps generated throughout the majority of the TDDB process to be silicon dangling bonds at the (100) Si/SiO2 interface (Pb0 and Pb1 centers) for both the spin-dependent recombination (SDR) and trap-assisted tunneling (SDTAT) processes. We find this generation to be linked to both changes in the calculated interface state densities as well as changes in the NZFMR spectra for recombination events at the interface, indicating a redistribution of mobile magnetic nuclei which we conclude could only be due to the redistribution of hydrogen at the interface. Additionally, we observe the generation of traps known as E’ centers in EDMR measurements at lower experimental temperatures via SDR measurements at the interface. Our work strongly suggests the involvement of a rate-limiting step in the tunneling process between the silicon dangling bonds generated at the interface and the ones generated throughout the oxide.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Polarization-separated double-imaging spectroscopy for weakly-ionized plasma diagnostics

Laser Thomson scattering, which provides thermal properties of electrons, has been extensively utilized in plasma diagnostics. However, being a non-resonant linear light scattering technique, it often encounters several challenges in weakly-ionized plasma diagnostics due to spectral overlap with different scatterings induced from other existing species, including Mie, Rayleigh, and rotational Raman scatterings. To address this challenge, we propose an imaging spectroscopy technique, polarization-separated double-imaging spectroscopy (PoDIS), which selectively separates specific scatterings based on their polarization characteristics. Using an atmospheric plasma jet as a plasma source for demonstration, we show that PoDIS can effectively separate rotational Raman and Thomson scatterings from a superimposed spectrum without prior knowledge or assumptions about the thermal properties of neutrals or electrons. This separation enables independent fitting of the rotational Raman and Thomson scattering spectra, allowing for precise determination of the thermal properties of neutral particles and electrons separately.

Bak, Junhwi [Texas A&M University, College Station↗
DOE OSTI2024

Institute for Catalysis in Energy Processes (ICEP) (Final Report)

The Institute for Catalysis in Energy Processes (ICEP) was a multi-PI program located at the Northwestern University Center for Catalysis and Surface Science from 2006-2024. Over several renewal cycles and several organizing themes, ICEP addressed fundamental questions in catalysis science. In turn, the scientific questions addressed were directly relevant to the efficient use of the nation’s resources to produce fuels and commodity chemicals, harness alternate energy sources for chemical reactions such as light or electricity, reduce emissions and waste, and minimize the impact of our use of plastics. Selective oxidation, (oxidative) dehydrogenation, deNOx, CO 2 reduction, hydrogen release, polymer decomposition / depolymerization, and many other reactions of intense interest to the US Department of Energy were studied in the center. Major ICEP strengths were in catalyst synthesis, in measurements that elucidated catalyst properties, in reaction mechanisms and kinetics, and in predictive theory and modeling. ICEP researchers were often the inventors or developers of materials and methods that were brought to bear on the Institute’s catalytic systems. Key characterization tools advanced through this project included resonance Raman and related techniques, sum frequency generation, and X-ray standing wave spectroscopy. Center members relied extensively on computational tools such as density functional theory and microkinetic modeling to fully investigate catalyst structures and catalytic mechanisms. ICEP researchers were early developers of atomic layer deposition (ALD) for catalyst synthesis and were early pioneers of metal organic frameworks for catalysis. ICEP innovations are found in areas of intense research such as single-atom catalysts, catalytic deconstruction of plastics, and catalytic MOFs, to name a few. Research areas initiated by ICEP indirectly led to DOE EFRCs, startup companies, and other achievements. Over its 18 years of existence, ICEP involved two different PIs (Stair and Notestein) and 24 senior investigators across several academic disciplines at Northwestern University. There were tight collaborations with Argonne National Laboratory, including specialized equipment and experiments permanently located there. The center supported ~400 person-years of effort by graduate students and postdocs, either directly through DOE support or indirectly by leveraging independent support provided to the trainees, e.g. through the NSF GRFP or internal fellowships. The project resulted in 328 manuscripts and numerous conference presentations.

36 MATERIALS SCIENCE↗