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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 OSTI2026

Identifying Decoherence Mechanisms in Superconducting Qubits through Advanced Materials Characterization

Although superconducting qubits have emerged as a leading technology platform for quantum computing through large improvements in device coherence times and gate fidelity in recent years, the presence of defects and impurities at the interfaces and surfaces in the constituent materials continue to limit performance and serve as a critical barrier in achieving scalable quantum systems. Understanding and eliminating these sources of quantum decoherence in superconducting qubit devices requires dedicated studies aimed at establishing robust structure-property relationships that will enable researchers to target and eliminate defects strategically. As part of the Superconducting Materials and Systems (SQMS) center, we have extensively employed state-of-the-art materials characterization techniques, including scanning/transmission electron microscopy, secondary ion mass spectrometry, atom probe tomography, x-ray diffraction, and x-ray photoelectron spectroscopy in conjunction with device measurements to elucidate such relationships. In this talk, I will discuss some of our recent findings, including linking atomic defects to microwave loss in surface oxides, linking impurities in the Josephson Junction to qubit parameters, and linking low temperature precipitates to device performance. By applying these insights, we have been able to strategically develop and implement mitigation strategies for reliable fabrication of high coherence superconducting qubits.

Murthy, A. [Fermilab] (ORCID:0000000176776866)↗
DOE OSTI2025

What is the Quark-Gluon Plasma made of?

This article surveys our present understanding of the internal structure of the fully developed quark-gluon plasma at temperatures outside the crossover region. The theoretical part of the review covers perturbative and nonperturbative approaches to quark-gluon plasma structure, in particular, hard-thermal loop effective theory, lattice QCD and the functional renormalization group. The phenomenological part of the review scrutinizes the information that has been derived from bulk observables and hard probes in relativistic heavy ion collisions in terms of how it informs our knowledge about the structure of the quark-gluon plasma. The final section lists possible avenues for future progress.

FOS: Physical sciences↗
DOE OSTI2021

Probing Microstructure-induced Swelling & Thermal Property Changes in Ion-Irradiated Oxide Fuels using Laser-generated Surface Acoustic Waves

Radiation of fuel rods with neutrons during a fission reaction in a nuclear reactor is known to affect the material microstructure of the fuel as a result of fission fragment damage, and lead to the formation of atomic-level defects such as voids, dislocation loops, and lattice swelling from fission-gas release. A consequence of the radiation-induced damage in nuclear fuels is the drastic alteration of material properties, in particular, the reduction of the thermal conductivity – a key parameter that governs the transport of thermal energy released from fissile fuel atoms to the surrounding coolant. Swelling can induce high stresses and ultimate failure of the cladding. A fundamental understanding of the role of radiation-induced damage on the thermal transport and mechanical properties of nuclear fuels is therefore critical for efficient, reliable and safe operation of a nuclear power plant. As opposed to conventional post-irradiation examination techniques that are often time-consuming and require significant sample preparation, laser-based characterization methods have emerged as promising non-contact, non-destructive tools to measure the evolution of microstructure-induced material property changes. Moreover, laser methods offer the promise of in-situ characterization while the material is being irradiated. This project aims to develop an improved understanding of the impact of radiation-induced changes to material microstructure on the thermal and elastic properties of nuclear materials. A laser ultrasonic technique, known as the transient grating (TG) spectroscopy method, is used to simultaneously measure thermal diffusivity and elastic properties in unirradiated and ion-irradiated oxide nuclear fuel samples. The results will complement on-going investigations on electron- and phonon-mediated thermal transport in nuclear materials and will provide foundational work for incorporating the influence of defects in fuel performance codes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Energy-Dispersive X-ray Spectroscopy and Atom-probe Tomography Data Quantifying Component-Ratios of Multicomponent Nano-Precipitates in Ion-Irradiated Ceria

Samples of ~1 µm films of CeO2 doped with 2 wt% Mo, 1.5 wt% Ru, 0.75 wt% Pd, 0.5 wt% Re and 0.25 wt% Rh grown with pulsed laser deposition were irradiated with I2+ ions (610°C and 730°C, 1016 and 5×1016 I2+/cm2). For selected samples post-irradiation heat treatment was conducted (900°C, 1100°C). The specimens were sectioned with focussed ion beam milling and characterized in a transmission electron microscope with energy dispesive x-ray spectroscopy, and with atom-probe tomography. Energy dispersive x-ray spectroscopy was used to obtain elemental maps showing the distribution of dopants in the specimen after exposure. Some of these maps are discussed in detail in our companion article “Formation of multicomponent alloy particles in doped ceria under I2+ ion irradiation and thermal annealing” in the Journal of Nuclear Materials [REF]. Advanced computational analysis could be used to more accurately quantify local compositions. Data is provided for additional regions of interest and one additional irradiation condition. The doped Ceria film that was heat treated at 1100 °C delaminated from the substrate in most places. Samples were extracted from the underside of a delaminated piece and analyzed with atom-probe tomography. The resulting data show Ceria and a Mo-rich particle and demonstrate that this approach is feasable in principle to study local compositions in a sample exposed to such extreme conditions.

multicomponent alloys, epsilon phase, EDS, atom pr↗
DOE OSTI2025

Nonlinear Scaling of Water–Ion Interactions and Dynamics in Alkaline Solutions

Water-ion interactions govern many solvent properties critical to solution-phase chemistry and the behavior of liquid water. The water-ion interactions in alkaline conditions were probed using two-dimensional infrared spectroscopy (2D IR), small-angle x-ray scattering (SAXS), and nuclear magnetic resonance spectroscopy (NMR). Energy transfer between the donor molecule KSeCN, used as a 2D IR probe, and the acceptor molecule NaOD was used to track the average separation distance of ions in a D 2 O solution, while SAXS measurements showed effects in the bulk D 2 O solvent. Here, we observe consistent nonlinear scaling in the SeCN - and OD - average separation distance as a function of NaOD concentration while bulk solution D 2 O-to-D 2 O average separation distance remained highly linear. Ultrafast measurements of solution dynamics via 2D IR and polarization-selective pump-probe spectroscopy show consistent scaling in correlation times as a function of concentration. These results suggests that the SeCN - and OD - anions participate in a water-ion network that significantly reduces the degrees of freedom for the distribution of ions in solution below the standard stochastic for ion distribution.

2D IR Spectroscopy↗
DOE OSTI2020

Ultrafast vibrational dynamics of a trigonal planar anionic probe in ionic liquids (ILs): A two-dimensional infrared (2DIR) spectroscopic investigation

A major impediment limiting the widespread application of ionic liquids (ILs) is their high shear viscosity. Incorporation of a tricyanomethanide (TCM - ) anion in ILs leads to low shear viscosity and improvement of several characteristics suitable for large scale applications. However, properties including interactions of TCM - with the local environment and dynamics of TCM - have not been thoroughly investigated. Herein, we have studied the ultrafast dynamics of TCM - in several imidazolium ILs using linear IR and two-dimensional infrared spectroscopy techniques. The spectral diffusion dynamics of the CN stretching modes of TCM - in all ILs exhibit a nonexponential behavior with a short time component of ~2 ps and a long time component spanning ~9 ps to 14 ps. The TCM - vibrational probe reports a significantly faster relaxation of ILs compared to those observed previously using linear vibrational probes, such as thiocyanate and selenocyanate. Our results indicate a rapid relaxation of the local ion-cage structure embedding the vibrational probe in the ILs. The faster relaxation suggests that the lifetime of the local ion-cage structure decreases in the presence of TCM - in the ILs. Linear IR spectroscopic results show that the hydrogen-bonding interaction between TCM - and imidazolium cations in ILs is much weaker. Shorter ion-cage lifetimes together with weaker hydrogen-bonding interactions account for the low shear viscosity of TCM - based ILs compared to commonly used ILs. In addition, this work demonstrates that TCM - can be used as a potential vibrational reporter to study the structure and dynamics of ILs and other molecular systems.

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

Advanced Characterization of Thin Film Solar Cells

Polycrystalline thin-film solar cells have reached a levelized cost of energy that is competitive with all other sources of electricity. The technology has significantly improved in recent years, with laboratory cell efficiencies for cadmium telluride (CdTe), perovskites, and copper indium gallium diselenide (CIGS) each exceeding 22 percent. Both CdTe and CIGS solar panels are now produced at the gigawatt scale. However, there are ongoing challenges, including the continued need to improve performance and stability while reducing cost. Advancing polycrystalline solar cell technology demands an in-depth understanding of efficiency, scaling, and degradation mechanisms, which requires sophisticated characterization methods. These methods will enable reseachers and manufacturers to improve future solar modules and systems. This work provides researchers with a concise overview of the status of thin-film solar cell technology and characterization. Chapters describe material systems and their properties and then provide an in-depth look at relevant characterization methods and the learning facilitated by each of these. Following an introductory chapter, the book provides systematic and thorough coverage of the following topics: trends to improve CdTe solar cell performance; Cu(In,Ga)Se2 and related materials; perovskite solar cells; photovoltaic device modelling; luminescence and thermal imaging of thin-film photovoltaic materials, devices, and modules; application of spatially resolved spectroscopy characterization techniques on Cu2ZnSnSe4 solar cells; time-resolved photoluminescence characterization of polycrystalline thin-film solar cells; fundamentals of electrical material and device spectroscopies applied to thin-film polycrystalline chalcogenide solar cells; nanometer-scale characterization of thin-film solar cells by atomic force microscopy-based electrical probes; scanning transmission electron microscopy characterization of solar cells; photoelectron spectroscopy methods in solar cell research; time-of-flight secondary-ion mass spectrometry and atom probe tomography; and solid-state nuclear magnetic resonance characterization for photovoltaic applications. The final chapter provides an overview and describes future prospects.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2022

Ultrafast disruptive probing: Simultaneously keeping track of tens of reaction pathways

Ultrafast science depends on different implementations of the well-known pump–probe method. Here, we provide a formal description of ultrafast disruptive probing, a method in which the probe pulse disrupts a transient species that may be a metastable ion or a transient state of matter. Disruptive probing has the advantage of allowing for simultaneous tracking of the yield of tens of different processes. Our presentation includes a numerical model and experimental data on multiple products resulting from the strong-field ionization of two different molecules, partially deuterated methanol and norbornene. The correlated enhancement and depletion signals between all the different fragmentation channels offer comprehensive information on photochemical reaction pathways. In combination with ion imaging and/or coincidence momentum imaging or as complementary to atom-specific probing or ultrafast diffraction methods, disruptive probing is a particularly powerful tool for the study of strong-field laser–matter interactions.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

First application of a digital mirror Langmuir probe for real-time plasma diagnosis

We report for the first time, a digital Mirror Langmuir Probe (MLP) has successfully sampled plasma temperature, ion saturation current, and floating potential together on a single probe tip in real time in a radio-frequency driven helicon linear plasma device. This is accomplished by feedback control of the bias sweep to ensure a good fit to I–V characteristics with a high frequency, high power digital amplifier, and field-programmable gate array controller. Measurements taken by the MLP were validated by a low speed I–V characteristic manually collected during static plasma conditions. Plasma fluctuations, induced by varying the axial magnetic field($\widetilde{f}$ = 10 Hz), were also successfully monitored with the MLP. Further refinement of the digital MLP pushes it toward a turn-key system that minimizes the time to deployment and lessens the learning curve, positioning the digital MLP as a capable diagnostic for the study of low radio-frequency plasma physics. These demonstrations bolster confidence in fielding such digital MLP diagnostics in magnetic confinement experiments with high spatial and adequate temporal resolution, such as edge plasma, scrape-off layer, and divertor probes.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

First application of a digital mirror Langmuir probe for real-time plasma diagnosis

For the first time, a digital Mirror Langmuir probe (MLP) has successfully sampled plasma temperature, ion saturation current, and floating potential together on a single probe tip in real time in a radio-frequency driven helicon linear plasma device. This is accomplished by feedback control of the bias sweep to ensure a good fit to I-V characteristics with a high frequency, high power digital amplifier and field-programmable gate array (FPGA) controller. Measurements taken by the MLP were validated by a low speed I-V characteristic manually collected during static plasma conditions. Plasma fluctuations, induced by varying the axial magnetic field (f̃ = 10 Hz), were also successfully monitored with the MLP. Further refinement of the digital MLP pushes it towards a turn-key system that minimizes the time to deployment and lessens the learning curve, positioning the digital MLP as a capable diagnostic for the study of low radio-frequency plasma physics. These demonstrations bolster confidence in fielding such digital MLP diagnostics in magnetic confinement experiments with high spatial and adequate temporal resolution such as edge plasma, scrape-off layer, and divertor probes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Mechanisms Underlying Plastocyanin-Cytochrome f Electron Transfer Investigated via Site-Specific Linear and Two-dimensional Infrared Spectroscopy

The goal of this research is to further our understanding of biological electron transfer in photosynthesis through the development and application of new methods for studying proteins with high spatial and temporal detail. Biological electron transfer occurs between metal sites imbedded in proteins where the environment and its motions can be very different from those of normal bulk liquids. Moreover, electron transfer between two proteins typically involves short-lived binding interactions within a highly mobile complex. We have directed our studies at photosynthetic electron transfer proteins plastocyanin and cytochrome f. We have labeled two key ligands to the copper ion of plastocyanin with carbon deuterium probe vibrations that enable their selective analysis by infrared spectroscopy. This analysis has shown that association of plastocyanin with cytochrome f leads to large changes in the bonding between the copper ion and ligands. In addition, the probes have been used to assess the contribution of the protein scaffold of plastocyanin in dictating the copper coordination geometry. We also have made progress to extend our experiments from equilibrium to non-equilibrium studies. The studies help to illuminate how proteins are tuned to control biological electron transfer. A better understanding of electron transfer reactions in natural photosynthesis will bolster efforts to develop artificial systems for energy production.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Examining Interactions of Uranyl(VI) Ions with Amino Acids in the Gas Phase

Gas-phase experiments, using electrospray ionization quadrupole ion trap mass spectrometry (ESI-QIT/MS), were conducted to probe basic interactions of the uranyl(VI) ion, UO 2 2+ , with selected natural amino acids, namely, L-cysteine (Cys), L-histidine (His), and L-aspartic acid (Asp), which strongly bind to metal ions. The simplest amino acid, glycine (Gly), was also studied for comparison. Cys, His, and Asp have additional potentially coordinating groups beyond the amino and carboxylic acid functional groups, specifically thiol in Cys, imidazole in His, and a second carboxylate in Asp. Gas-phase experiments comprised collision-induced dissociation (CID) of uranyl–amino acid complexes and competitive CID to assess the relative binding strength of different amino acids in the same uranyl complex. Reactivity of selected uranyl–amino acid complexes with water provided further insights into relative stabilities. In positive ion mode, CID and ensuing reactions with water suggested that uranyl–neutral AA binding strength decreased in the order His > Asp > Cys > Gly, which is similar to amino acid proton affinities. In negative ion mode, CID revealed a decreasing dissociation tendency in the order Gly >> His ≈ Cys > Asp, presumably reflecting a reverse enhanced binding to uranyl of the doubly deprotonated amino acids formed in CID.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

High precision magnetic field measurement and mapping of the LEReC 180 degree bending magnet using very low field NMR with hall combined probe (140 - 350 gauss)

The Relativistic Heavy Ion Collider (RHIC) at BNL are using the Low Energy RHIC Electron Cooling (LEReC) to conduct experiments that search for the quantum chromodynamic (QCD) critical point. The first ever electron cooling based on the RF acceleration of electron beams was experimentally demonstrated on April 5, 2019 at LEReC at BNL. The first critical step in obtaining successful 3D non-magnetized cooling of the Au ion bunches in the RHIC cooling section was matching the electron beam energy with a relative error less than 5*10 -4 to the ion beam energy. Part of the LEReC beamline is a dipole magnet that bends the electron beam 180 degree. One of the most outstanding measurement challenges is that the dipole field is so low (≈200 G). Most of the existing NMR probes can only measure fields >400 G. Lower signal-to-noise ratio at low fields is requires the use of larger sample volumes. Working with CAYLAR, a NMR probe has been redesigned and optimized for these low field measurements with high resolution. We report the methods, challenges, and results for extensive magnetic field mappings of the 180 dipole magnet. A combination of NMR and Hall sensors has been successfully implemented to measure uniform field regimes inside the magnet center area and non-uniform field regimes at the magnet ends. Detailed measurement and mapping have been performed at five radii and five heights along the beam trajectory. Meanwhile a finite element magnetic modeling simulation of the magnet using Opera software has been performed. The calculated and measured data are compared, and the calculated data is good reference for measured data over long length mapping from magnet edge to center. The measured magnetic measurement data is directly useful for beam instrumentation, diagnostics and operation.

Magnetic Field Measurement↗
DOE OSTI2021

Probing the Reactivity of the Active Material of a Li-Ion Silicon Anode with Common Battery Solvents

Calculations and modeling have shown that replacing the traditional graphite anode with silicon can greatly improve the energy density of lithium-ion batteries. However, the large volume change of silicon particles and high reactivity of lithiated silicon when in contact with the electrolyte lead to rapid capacity fading during charging/discharging processes. In this report, we use specific lithium silicides (LS) as model compounds to systematically study the reaction between lithiated Si and different electrolyte solvents, which provides a powerful platform to deconvolute and evaluate the degradation of various organic solvents in contact with the active lithiated Si-electrode surface after lithiation. Nuclear Magnetic Resonance (NMR) characterization results show that a cyclic carbonate such as ethylene carbonate is chemically less stable than a linear carbonate such as ethylmethyl carbonate, fluoroethylene carbonate, and triglyme as they are found to be more stable when mixed with LS model compounds. Furthermore, guided by the experimental results, two ethylene carbonate (EC)-free electrolytes are studied, and the electrochemical results show improvements with graphite-free Si electrodes relative to the traditional ethylene-carbonate-based electrolytes. More importantly, the study contributes to our understanding of the significant fundamental chemical and electrochemical stability differences between silicon and traditional graphite lithium-ion battery (LIB) anodes and suggests a focused development of electrolytes with specific chemical stability vs lithiated silicon which can passivate the surface more effectively.

25 ENERGY STORAGE↗
DOE OSTI2022

Probing triaxial deformation of atomic nuclei in high-energy heavy ion collisions

Most atomic nuclei are deformed with a quadrupole shape described by its overall strength β 2 and triaxiality γ. The deformation can be accessed in high-energy heavy ion collisions by measuring the collective flow response of the produced quark-gluon plasma to the eccentricity ε 2 and the density gradient d ⊥ in the initial state. Using an analytical estimate and a Glauber model, I show that the variances $\langleε^{2}_{2}\rangle$ or $\langle$(δd ⊥ /d ⊥ ) 2 $\rangle$ and skewnesses $\langleε^{2}_{2}δd_{⊥}/d_{⊥}\rangle$ or $\langle(δd_{⊥}/d_{⊥})^{3}\rangle$ have a simple analytical form of a'+b'β$^{2}_{2}$ and a'+[b'+c' cos(3γ)]β$^{3}_{2}$, respectively. From these, I constructed several normalized skewnesses to isolate the γ dependence from that of β 2 and show that the correlations between a normalized skewness and a variance can constrain simultaneously β 2 and γ. Assuming a linear relation with elliptic flow v 2 and mean-transverse momentum [p T ] of final-state particles, v 2 ∝ ε 2 and δ [p T ] / [p T ] ∝ δd ⊥ /d ⊥ , similar conclusions are also expected for the variances and skewnesses of v 2 and [p T ], i.e., a + bβ$^{2}_{2}$ for $\langle v^{2}_{2}\rangle$ and $\langle(δ[p_{T}] / [p_{T}])^{2}\rangle$ and a + [b + c cos (3γ)] β$^{3}_{2}$ for $\langle v^{2}_{2}δ [p_{T}] / [p_{T}]\rangle$ or $\langle(δ[p_{T}] / [p_{T}])^{3}\rangle$. My findings motivate a dedicated system scan of high-energy heavy ion collisions at RHIC and LHC to measure triaxiality of atomic nuclei: one first determines the coefficients b and c by collisions of isobaric near prolate nuclei, cos (3γ) ≈ 1, and near oblate nuclei, cos (3γ) ≈ –1 , with known β 2 values, followed by collisions of other species of interest with similar mass number. The (β 2 , γ) values for this species can be inferred directly from the measured variance and skewness observables from these collisions. Finally, the results demonstrate the unique opportunities offered by high-energy collisions as a tool to perform interdisciplinary nuclear physics studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Probing quantum entanglement with generalized parton distributions at the Electron-Ion Collider

Within the collinear factorization framework based on generalized parton distributions, we calculate the spin density matrix of exclusively produced quark and antiquark pairs $𝑢\bar{𝑢}$, $𝑑⁢\bar{d}$, $𝑠⁢\bar{𝑠}$, $𝑐\bar{⁢𝑐}$, $𝑏\bar{𝑏}$ in electron-proton scattering. The presence of both real and imaginary parts in the scattering amplitudes leads to a rich pattern of entanglement between the quark and the antiquark. We map out kinematical regions where the pairs exhibit entanglement, Bell nonlocality, and nonstabilizerness. We also predict that massive quarks and antiquarks are transversely polarized, similar to the well-known transverse hyperon polarization in unpolarized collisions. In strangeness, charm, and bottom productions, the polarization can reach 50%–80% in certain kinematic regions in the low-energy runs of the Electron-Ion Collider.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗