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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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61 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A review of the application of 2D isotropic-anisotropic correlation NMR spectroscopy in structural studies of chalcogenide glasses

The application of solid-state high-resolution NMR spectroscopy in the structural investigation of chalcogenide glasses in Ge/As/P/Si-X (X = S, Se,Te) systems has remained challenging even for the spin-1/2 nuclides ( 29 Si, 31 P, 77 Se, 125 Te), owing to their low natural abundance (except for 31 P), slow spin-lattice relaxation rate and large CSA and chemical shift distribution induced line broadening effects. However, most of these deleterious effects can be successfully overcome in two-dimensional (2D) isotropic-anisotropic correlation NMR experiments, especially when performed at high magnetic field and in conjunction with the Car-Purcell-Meiboom-Gill (CPMG) echo train acquisition. Here, we present a short introduction to the basic principles of such experiments and review their applications over the last decade in deciphering various short- and intermediate- range structural characteristics of chalcogenide glasses in S-Se, Se-Te, Ge-Se, As-Se and Si-Se systems as well as in investigating the molecular dynamics in a P-Se supercooled liquid. We anticipate possible future applications of these 2D isotropic-anisotropic correlation NMR experiments, particularly in conjunction with density functional theory-based calculations of NMR chemical shift tensor parameters and additional signal enhancement schemes, in addressing complex structural correlations and distributions in chalcogenide glasses.

2D NMR↗
DOE OSTI2024

High-Q cavity interface for color centers in thin film diamond

Quantum information technology offers the potential to realize unprecedented computational resources via secure channels distributing entanglement between quantum computers. Diamond, as a host to optically-accessible spin qubits, is a leading platform to realize quantum memory nodes needed to extend such quantum links. Photonic crystal (PhC) cavities enhance light-matter interaction and are essential for an efficient interface between spins and photons that are used to store and communicate quantum information respectively. Here, we demonstrate one- and two-dimensional PhC cavities fabricated in thin-film diamonds, featuring quality factors (Q) of 1.8 × 10 5 and 1.6 × 10 5 , respectively, the highest Qs for visible PhC cavities realized in any material. Importantly, our fabrication process is simple and high-yield, based on conventional planar fabrication techniques, in contrast to the previous with complex undercut processes. We also demonstrate fiber-coupled 1D PhC cavities with high photon extraction efficiency, and optical coupling between a single SiV center and such a cavity at 4 K achieving a Purcell factor of 18. The demonstrated photonic platform may fundamentally improve the performance and scalability of quantum nodes and expedite the development of related technologies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Quantification of Dissolved O 2 in Bulk Aqueous Solutions and Porous Media Using NMR Relaxometry

Effects of dissolved paramagnetic oxygen (O 2 ) in water on 1 H nuclear magnetic resonance (NMR) Carr-Purcell-Meiboom-Gill (CPMG) experiments is evaluated at a 1 H Larmor frequency of 2 MHz. Dissolution of O 2 into water significantly reduces the 1 H transverse relaxation coefficient (T 2 ). For deoxygenated water, T 2 is 3388 ms, water at ambient atmospheric conditions (7.4 mg/L O2) exhibits a T2 of 2465 ms, and dissolution of 2710 mg/L O 2 further reduces T 2 to 36 ms. The results were fit with an empirical model to facilitate prediction of T 2 times for bulk water as a function of paramagnetic oxygen concentrations in solution. Dissolved O 2 also greatly influences 1 H NMR CPMG experiments of confined water in a model system composed of Berea sandstone. For this system, 90 mg/L O 2 in H 2 O enhances T 2 relaxation of bulk water such that the relaxation time is comparable to physically confined water in the sandstone pores. Given the sensitivity of NMR T 2 coefficients to paramagnetic oxygen, low-field NMR-based characterization of fluid and porous media structure requires control of dissolved oxygen, as geospatial variation in the partial pressure of O 2 alone is expected to perturb fluid and pore relaxation times by up to 60 and 36%, respectively.

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

Distribution of Bound and Free Water in Anatomical Fractions of Pine Residues and Corn Stover as a Function of Biological Degradation

Biomass quality is influenced by water’s abundance, distribution, and status in relation to other chemical species within the polymer matrix. Water interacts with polymers that make up the cell walls, and these interactions govern the physical and chemical changes that occur during the storage and preprocessing of biomass feedstocks. Time-domain nuclear magnetic resonance (TD-NMR) was employed to explore variations in the physical constraints of water within the lignocellulosic microstructure in distinct anatomical fractions of biomass and as a function of biological degradation. The Carr–Purcell–Meiboom–Gill sequence, when combined with knowledge of the chemical composition and physical structure of pine residues and corn stover anatomical fractions, gives an accurate measurement of the bound and free water. In this work, the impacts of storage and biological degradation were investigated to elucidate changes in the status and distribution of water within distinct plant tissues. We also investigate how degradation during storage affects water interactions in different pine residues (e.g., bark, branch, and needle) and corn stover (e.g., cob, leaf, and stalk) anatomical fractions using transverse relaxation times (T2). As demonstrated herein, TD-NMR provides quantitative data on lignocellulosic biomass–water interactions within anatomical fractions, which can further aid in the investigation of preprocessing effects on feedstock quality. Our findings suggest that biological heating enhances biomass–water interactions at the cellular and macromolecular scale. In addition, analysis of three-dimensional scanning electron microscopy reconstructions indicates that surface roughness wavelengths align with microscale roughness, suggesting that pine forestry residue and corn stover particles have primarily hydrophobic exterior surfaces. Furthermore, this study offers multiscale insights into understanding the microstructure, wettability, and chemical environment that dictate diffusion, enzyme access, and recalcitrance of lignocellulosic biomass.

09 BIOMASS FUELS↗
NASA NTRS2008

Improving the Optical Quality Factor of the WGM Resonator

Resonators usually are characterized with two partially dependent values: finesse (F) and quality factor (Q). The finesse of an empty Fabry-Perot (FP) resonator is defined solely by the quality of its mirrors and is calculated as F=piR(exp 1/2)/(1-R). The maximum up-to-date value of reflectivity R approximately equal to 1 - 1.6 x 10(exp -6) is achieved with dielectric mirrors. An FP resonator made with the mirrors has finesse F=1.9 x 10(exp 6). Further practical increase of the finesse of FP resonators is problematic because of the absorption and the scattering of light in the mirror material through fundamental limit on the reflection losses given by the internal material losses and by thermodynamic density fluctuations on the order of parts in 109. The quality factor of a resonator depends on both its finesse and its geometrical size. A one-dimensional FP resonator has Q=2 F L/lambda, where L is the distance between the mirrors and lambda is the wavelength. It is easy to see that the quality factor of the resonator is unlimited because L is unlimited. F and Q are equally important. In some cases, finesse is technically more valuable than the quality factor. For instance, buildup of the optical power inside the resonator, as well as the Purcell factor, is proportional to finesse. Sometimes, however, the quality factor is more valuable. For example, inverse threshold power of intracavity hyperparametric oscillation is proportional to Q(exp 2) and efficiency of parametric frequency mixing is proportional to Q(exp 3). Therefore, it is important to know both the maximally achievable finesse and quality factor values of a resonator. Whispering gallery mode (WGM) resonators are capable of achieving larger finesse compared to FP resonators. For instance, fused silica resonators with finesse 2.3 x 10(exp 6) and 2.8 x 10(exp 6) have been demonstrated. Crystalline WGM resonators reveal even larger finesse values, F=6.3 x 10(exp 6), because of low attenuation of light in the transparent optical crystals. The larger values of F and Q result in the enhancement of various nonlinear processes. Low-threshold Raman lasing, optomechanical oscillations, frequency doubling, and hyperparametric oscillations based on these resonators have been recently demonstrated. Theory predicts a possibility of nearly 10(exp 14) room-temperature optical Q-factors of optical crystalline WGM resonators, which correspond to finesse levels higher than 10(exp 9). Experiments have shown numbers a thousand times lower than that. The difference occurs due to media imperfections. To substantially reduce the optical losses caused by the imperfections, a specific, multi-step, asymptotic processing of the resonator is implemented. The technique has been initially developed to reduce microwave absorption in dielectric resonators. One step of the process consists of mechanical polishing performed after high temperature annealing. Several steps repeat one after another to lead to significant reduction in optical attenuation and, as a result, to the increase of Q-factor as well as finesse of the resonator which demonstrates a CaF2 WGM resonator with F greater than 10(exp 7) and Q greater than 10(exp 11).

Savchenkov, Anatoliy↗
NASA NTRS1987

On the role of convective motion during dendrite growth: Experiments under variable gravity, revised

Experiments show the effect of self induced convection on individual dendrite growth in uniformly supercooled samples and solidification of the resulting mush under conditions of high and low g. Convection is visualized by a Schlieren optical system or a Mach Zender interferometer. For ice crystals growing from the vapor in air, a slight reduction in linear growth rate occur under low g. For ice crystals growing from NaCl solution, dendrite tip velocities are unchanged, but subsequent mush solidification is enhanced through drainage channels under higher g. By contrast, sodium sulfate decahydrate dendrites growing from solution produce convective plumes which lead to higher tip growth rate only as the crystal growth direction approaches that of gravity. Convective plumes are laminar for small crystals under conditions of these experiments; the rise velocity of such plumes is greater than individual vortex rings under identical conditions. Convection effects are only present in solution under a critical supercooling less than about 5 C for sodium sulfate and 2 C for ice in NaCl since at higher supercooling the crystallization velocity, proportional to the square of the supercooling, exceeds the convective velocity, proportional to the square root of the supercooling. The role of convective velocity in bulk solidification is to give a large scale flow which under extreme cases may lead to extensive secondary crystal production, which alters the resulting crystal texture of the completely solidified melt.

Hallett, J.↗
NASA NTRS2024

Evaluating Differences Among Crop Models in Simulating Soybean in-Season Growth

Crop models are useful tools for simulating agricultural systems that require continued model development and testing to increase their robustness and improve how they describe our current understanding of processes. Coordinated and “blind” evaluation of multiple models using same protocols and experimental datasets provides unique opportunities to further improve models and enhance their reliability. For soybean [Glycine max (L.) Merr.], there has been limited coordinated multi-model evaluations for the simulation of in-season plant growth dynamics. We evaluated ten dynamic soybean crop models for their simulation of in-season plant growth using data from five experiments conducted in Argentina, Brazil, France, and USA. We evaluated models after a Blind (using only phenology data) and a Full calibration (with in-season and end-of-season variables). Calibration reduced model uncertainty by reducing standard bias for the simulation of in-season variables (biomass, leaf, pod, and stem weights, and leaf area index, LAI). However, we found that most models had difficulty in reproducing leaf growth dynamics, with normalized root mean squared error (nRMSE) of 56% for leaf weight and 43% for LAI (across locations and models after Full calibration). Models with different levels of complexity and experience were capable of simulating final seed yield at maturity with reasonable accuracy (nRMSE of 8–31% after Full calibration). However, the nRMSE for pod weight (of 17–64% after Full calibration) was two-fold larger than that of seed yield. Moreover, the models differed in how they simulated timing from sowing to beginning seed growth (47–93 days) and effective seed filling period (18–54 days), owing to model structural differences in defining the reproductive developmental stages. Overall, we identified the following processes that can benefit from further model improvement: leaf expansion and senescence, reproductive phenology, and partitioning to reproductive growth. Simulation of pod wall tissue and individual seed cohorts is another aspect that many models currently lack. Model improvement can benefit from high-temporal resolution experimental datasets that concurrently account for phenology, plant growth, and partitioning. Further, we recommend collecting reproductive phenology in the field consistent with actual dry matter allocation to organs in the models and collecting multiple observations of seed and pod weight to aid model improvement for simulation of seed growth and yield formation.

Agricultural Model Intercomparison and Improvement↗