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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 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

The impact of response measurement error on the analysis of designed experiments

This study considers the analysis of designed experiments when there is measurement error in the true response or so-called response measurement error. We consider both additive and multiplicative response measurement errors. Through a simulation study, we investigate the impact of ignoring the response measurement error in the analysis, that is, by using a standard analysis based on t-tests. In addition, we examine the role of repeat measurements in improving the quality of estimation and prediction in the presence of response measurement error. We also study a Bayesian approach that accounts for the response measurement error directly through the specification of the model, and allows including additional information about variability in the analysis. We consider the impact on power, prediction, and optimization. Copyright © 2015 John Wiley & Sons, Ltd.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Isotopic analysis of sub-nanogram neodymium loads using new ATONA™ amplifiers

The long-term gains of the ATONA™ amplifiers are shown to have less than 1 ppm variability. Repeat measurements of the JNdi-1 reference material demonstrate the ability of the ATONA™ amplification technology to make measurements of 143 Nd/ 144 Nd ratios with 23 ppm external reproducibility on 100-pg loads. The effect of increasing integration time on analytical reproducibility is also displayed as increasing integration time from 10 to 30s reduced the external measurement uncertainty from 37 to 23 ppm. These measurements represent an improvement of more than a factor of 3 in external measurement reproducibility relative to previously published 143 Nd/ 144 Nd measurements of 100-pg loads. Furthermore, this new technology will allow for the measurement of smaller samples for precise isotope ratios and open new avenues of research in the geological and nuclear forensic communities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

A statistical approach to combining multisource information in one-class classifiers

A new method is introduced in this paper for combining information from multiple sources to support one-class classification. The contributing sources may represent measurements taken by different sensors of the same physical entity, repeated measurements by a single sensor, or numerous features computed from a single measured image or signal. The approach utilizes the theory of statistical hypothesis testing, and applies Fisher's technique for combining p-values, modified to handle nonindependent sources. Classifier outputs take the form of fused p-values, which may be used to gauge the consistency of unknown entities with one or more class hypotheses. The approach enables rigorous assessment of classification uncertainties, and allows for traceability of classifier decisions back to the constituent sources, both of which are important for high-consequence decision support. Application of the technique is illustrated in two challenge problems, one for skin segmentation and the other for terrain labeling. Finally, the method is seen to be particularly effective for relatively small training samples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Dehydration Pathway Study of Ultrathin Ni (OH) 2 Probed via In Situ X-Ray Photoelectron Spectromicroscopy

In this work, the conversion of ultrathin 2D-Ni (OH) 2 to NiO is studied using in situ X-ray absorption near edge spectroscopy at the Ni L 3 and O K edges and using variable photon energy X-ray photoelectron spectroscopy at the Ni 2p 3/2 and O 1s edges. The Ni L 3 X-ray absorption spectroscopy and corresponding 2p 3/2 X-ray photoelectron spectroscopy show the oxidation state of the Ni atom to be Ni 2+ in the course of the reaction; however, the film surface and oxygen defect structure show the presence of a large metallic Ni component before the complete disappearance of the hydroxide phase indicating oxygen vacancy formation before the completion of water desorption. O 1s spectral changes during heat treatment under ultrahigh vacuum, O 2 dosing, and H 2 O dosing suggest the spectral features are due to water desorption and adsorption. Furthermore, by comparing the relative probe depths of X-ray photoelectron spectroscopy and X-ray absorption spectroscopy, it is determined that the surface, at each step in the dehydration process, consists of a combination of Ni, NiO, and Ni (OH) 2 phases, which each contain a mixture of adsorbed hydroxyl groups. Repeated dosing with H 2 O, studied with O 1s X-ray photoelectron spectroscopy, suggests that the dissociation of water facilitates the formation of oxygen vacancies.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Boosting Cell Performance of LiNi 0.8 Co 0.15 A 0.05 O 2 via Surface Structure Design

Although the high energy density and environmental benignancy of LiNi 0.8 Co 0.15 A 0.05 O 2 (NCA) holds promise for use as cathode material in Li-ion batteries, present low rate capabilities, and fast capacity fade limit its broad commercial applications. Here, it is reported that surface modification of NCA cathode (R-3m) with 5 nm-thick nanopillar layers and Fm-3m structures significantly improves electrode structure, morphology, and electrochemical performance. The formation of nanopillar layers increases cycling and working voltage stability of NCA by shielding the host material from hydrofluoric acid and improves structural stability with the electrolyte. The modified NCA cathode exhibits an enhanced 89% capacity retention at a rate of 1 C over that of pristine NCA (75.2%) after 150 cycles and effectively suppresses working voltage fade (a drop of 0.025 V after 300 cycles) during repeated charge-discharge cycles. In addition, the diffusion barrier of Li ions in NCA crystals at 0.80 V is noticeably smaller than that of Li ions in pristine NCA (0.87 eV). These findings demonstrate that this unique surface structure design considerably enhances cycle and rate performance of NCA, which has potential applications in other Ni-rich layered cathode materials.

25 ENERGY STORAGE↗
DOE OSTI2021

Electrochemistry of Thin Films with In Situ/Operando Grazing Incidence X-Ray Scattering: Bypassing Electrolyte Scattering for High Fidelity Time Resolved Studies

Electroactive polymer thin films undergo repeated reversible structural change during operation in electrochemical applications. While synchrotron X-ray scattering is powerful for the characterization of stand-alone and ex situ organic thin films, in situ/operando structural characterization has been underutilized-in large part due to complications arising from supporting electrolyte scattering. This has greatly hampered the development of application relevant structure property relationships. Therefore, a new methodology for in situ/operando X-ray characterization that separates the incident and scattered X-ray beam path from the electrolyte is developed. As a proof of concept, the operando structural characterization of weakly-scattering, organic mixed conducting thin films in an aqueous electrolyte environment is demonstrated, accessing previously unexplored changes in the $\pi-\pi$ peak and diffuse scatter, while capturing the solvent swollen thin film structure which is inaccessible in previous ex situ studies. These in situ/operando measurements improve the sensitivity to structural changes, capturing minute changes not possible ex situ, and have multimodal potential such as combined Raman measurements that also serve to validate the true in situ/operando conditions of the cell. Finally, new directions enabled by this in situ/operando cell design are examined and state of the art measurements are compared.

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

Synergetic Dual‐Additive Electrolyte Enables Highly Stable Performance in Sodium Metal Batteries

Sodium (Na)-metal batteries (SMBs) are considered one of the most promising candidates for the large-scale energy storage market owing to their high theoretical capacity (1,166 mAh g -1 ) and the abundance of Na raw material. However, the limited stability of electrolytes still hindered the application of SMBs. Herein, sulfolane (Sul) and vinylene carbonate (VC) are identified as effective dual additives that can largely stabilize propylene carbonate (PC)-based electrolytes, prevent dendrite growth, and extend the cycle life of SMBs. The cycling stability of the Na/NaNi 0.68 Mn 0.22 Co 0.1 O 2 (NaNMC) cell with this dual-additive electrolyte is remarkably enhanced, with a capacity retention of 94% and a Coulombic efficiency (CE) of 99.9% over 600 cycles at a 5 C (750 mA g -1 ) rate. The superior cycling performance of the cells can be attributed to the homogenous, dense, and thin hybrid solid electrolyte interphase consisting of F- and S-containing species on the surface of both the Na metal anode and the NaNMC cathode by adding dual additives. Such unique interphases can effectively facilitate Na-ion transport kinetics and avoid electrolyte depletion during repeated cycling at a very high rate of 5 C. This electrolyte design is believed to result in further improvements in the performance of SMBs.

25 ENERGY STORAGE↗
DOE OSTI2025

SnSe 1-x S x Alloys: Anisotropic Van der Waals Semiconductors with Tunable Bandgaps

Alloying is one of the main tools of bandgap engineering, allowing the tuning of crystal structure, lattice parameters, and electronic structure of 3D and 2D/layered semiconductors. Among the latter, it can play a key role in tailoring the properties of tin monochalcogenides, a class of van der Waals semiconductors of interest for optoelectronics, thermoelectrics, ferroelectrics, and valleytronics. Here, the study investigates the synthesis and properties of large flakes of the anion substitution alloys SnSe 1-x S x . Alloy flakes across a wide range of compositions are obtained systematically by repeated growth from the same mixed (SnS, SnSe) powder precursor. Combined experiment and theory show full miscibility for all compositions, along with tunable lattice constants, bandgaps, and vibrational modes. Atomic resolution imaging demonstrates the accumulation of S and Se in alternating layers in the SnSe 1-x S x unit cell, attributed to growth kinetics. Polarized Raman spectroscopy confirms anisotropic vibrational modes; the calculated and measured band structure shows systematic changes in the band edge energies and anisotropic electronic structure due to the anisotropic in-plane lattice of the monochalcogenides. Cathodoluminescence, finally, indicates that a unique configuration of two non-degenerate, direct valleys along orthogonal k-space directions persists all the way from SnS to SnSe, making SnSe 1-x S x alloys interesting for valleytronics.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A Donor Polymer Based on a Difluorinated Pentathiophene Unit Enabling Enhanced Performance for Nonfullerene Organic Solar Cells

Abstract For oligothiophene‐based donor polymers, changing the number of thiophene rings in each repeating unit is a simple and effective approach to tune their optical and electronic properties. While bithiophene‐, terthiophene‐, and quaterthiophene‐based polymers have been widely known and studied, pentathiophene‐based ones are rarely reported. Here, the pentathiophene‐based polymer PT5T, which yields extremely poor device performance with an efficiency of only 0.37%, is synthesized. However, after the introduction of two fluorine atoms to the center thiophene unit, the resulting polymer (PT5T‐2F) yields dramatic improvement in device performance with the fill factor and the power conversion efficiency improved to 70.8% and 9.69%, respectively. The morphological study shows that the difluorinated pentathiophene building block introduces enhanced molecular aggregation and crystallinity of PT5T‐2F, which facilitates the formation of bulk heterojunction blends with higher domain purity. Most importantly, despite its high crystallinity, PT5T‐2F can still produce reasonably small domain sizes in the polymer‐based blend. The results indicate that the difluorinated pentathiophene is a promising building block to construct donor polymers for nonfullerene organic solar cells.

Liu, Jing↗
DOE OSTI2020

NASICON Li 1.2 Mg 0.1 Zr 1.9 (PO 4 ) 3 Solid Electrolyte for an All‐Solid‐State Li‐Metal Battery

Abstract A thin solid electrolyte with a high Li + conductivity is used to separate the metallic lithium anode and the cathode in an all‐solid‐state Li‐metal battery. However, most solid Li‐ion electrolytes have a small electrochemical stability window, large interfacial resistance, and cannot block lithium‐dendrite growth when lithium is plated on charging of the cell. Mg 2+ stabilizes a rhombohedral NASICON‐structured solid electrolyte of the formula Li 1.2 Mg 0.1 Zr 1.9 (PO 4 ) 3 (LMZP). This solid electrolyte has Li‐ion conductivity two orders of magnitude higher at 25 °C than that of the triclinic LiZr 2 (PO 4 ) 3 . 7 Li and 6 Li NMR confirm the Li‐ions in two different crystallographic sites of the NASICON framework with 85% of the Li‐ions having a relatively higher mobility than the other 15%. The anode–electrolyte interface is further investigated with symmetric Li/LMZP/Li cell testing, while the cathode–electrolyte interface is explored with an all‐solid‐state Li/LMZP/LiFePO 4 cell. The enhanced performance of these cells enabled by the Li 1.2 Mg 0.1 Zr 1.9 (PO 4 ) 3 solid electrolyte is stable upon repeated charge/discharge cycling.

Zhou, Qiongyu↗
DOE OSTI2026

An Organic Carboxylate Host for Stable Sodium Metal Batteries

Sodium metal batteries (SMBs) hold great promise for the development of high-energy, sustainable energy storage solutions, but their practical deployment is hampered by unstable solid electrolyte interphases, uncontrollable sodium dendrite growth, and low Coulombic efficiency (CE) during repeated Na plating/stripping cycles. To address these challenges, we introduce an organic interlayer, containing perylenetetracarboxylic dianhydride sodium salt (Na4PT), on the surface of Cu current collector. This interlayer forms a sodiophilic organic interphase that lowers the nucleation barriers for sodium deposition and guides the formation of the interphase through polar carbonyl/carboxylate sites and a π-conjugated organic framework. A dendrite-free sodium metal anode is achieved using Na4PT coated Cu current collector. Under capacity-limited Na plating/stripping, Na||Na4PT@Cu half-cells deliver reversible capacities of 500 and 1,000 mAh g−1 at 0.1 and 1 A g−1 for 500 cycles with average CE above 99%. Post-cycling scanning electron microscopy and X-ray photoelectron spectroscopy measurements confirm that Na4PT@Cu promotes compact and uniform Na deposits and supports the formation of a stable interphase with reduced parasitic decomposition, directly correlating interfacial chemistry/morphology with high plating/stripping reversibility. These results highlight organic carboxylate coating as a practical interface engineering strategy for dendrite-free SMBs.

Chen, Chengxiang [University of Miami]↗
DOE OSTI2022

Development of a vadose zone advanced monitoring system: Tools to assess groundwater vulnerability

Performing repeat pore-fluid sampling over long time-scales can provide valuable information on unsaturated zone contaminants and their potential flux to ground water. This information can be used to manage groundwater remedies and identify contaminants that need to be sequestered in the vadose zone to minimize flux to ground water. Pore-water samples are commonly used to obtain contaminant concentrations within the vadose zone, but existing methods are limited as they only provide a single sample at one location and time. The vadose zone advanced monitoring system (VZAMS) has been designed to integrate multiple technologies into a single down-borehole system that allows for sampling of pore fluids (liquid and gas) to provide information about contamination and hydraulic conditions at multiple depths (~0.3-m intervals) within a cased borehole. Testing has been completed at the laboratory scale to verify the sampling elements of VZAMS, including geochemical testing for representative contaminants known to exist at the Hanford Site, located in southeastern Washington State. Physical tests focused on the ability of the sampler to draw fluid under unsaturated conditions. Initial geochemical testing showed that the stainless steel material used with the porous cuff may affect the sampled concentrations of redox-sensitive contaminants under very dry conditions. Additional laboratory testing demonstrated that the VZAMS components are able to collect representative samples for substances of interest under expected field conditions. In this paper, the design and functionality of a novel instrument are demonstrated in support of subsequent testing in the field.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Capturing soil moisture and salinity changes in flooded coastal forests using electrical resistivity and induced polarization

Geophysical methods provide high-resolution spatial measurements of physical quantities sensitive to changes in soil moisture and salinity and can be used to monitor soil hydrological responses to flooding. However, extracting quantitative hydrological information from geophysical data remains challenging. In this study, we extended existing petrophysical models to estimate soil moisture and salinity from electrical measurements to address this challenge. We manipulated two hydrologically isolated 2000 m 2 experimental plots by simultaneously inundating them with 265 m 3 of either freshwater or estuarine water. Repeated electrical resistivity and induced polarization measurements were used to image the water and solute infiltration along two transects that are 100 and 42 m in length. Petrophysical models derived from laboratory multi-salinity electrical measurements were used to estimate changes in soil moisture and fluid salinity from field measurements of real and imaginary conductivity during the ecosystem-scale flooding experiment. The real conductivity increased by ∼100% in the freshwater plot and ∼570% in the saltwater plot. The change in imaginary conductivity in the freshwater plot was <1 mS/m, whereas that of the estuarine water plot was ∼5 mS/m. Real conductivity shows dependence on soil moisture content with a coefficient of determination (R 2 ) > 0.7, while the imaginary conductivity shows a dependence on soil salinity with R 2 > 0.6. The results validate the use of electrical resistivity for estimating changes in soil moisture content in response to flooding. Combining electrical resistivity imaging with induced polarization measurements provides the possibility to account for changes in pore fluid conductivity.

Adebayo, Moses B. [Univ. of Toledo, OH (United Sta↗
DOE OSTI2020

Multimodel validation of single wakes in neutral and stratified atmospheric conditions

Previous research has revealed the need for a validation study that considers several wake quantities and code types so that decisions on the trade-off between accuracy and computational cost can be well informed and appropriate to the intended application. In addition to guiding code choice and setup, rigorous model validation exercises are needed to identify weaknesses and strengths of specific models and guide future improvements. Here, we consider 13 approaches to simulating wakes observed with a nacelle-mounted lidar at the Scaled Wind Technology Facility (SWiFT) under varying atmospheric conditions. We find that some of the main challenges in wind turbine wake modeling are related to simulating the inflow. In the neutral benchmark, model performance tracked as expected with model fidelity, with large-eddy simulations performing the best. In the more challenging stable case, steady-state Reynolds-averaged Navier–Stokes simulations were found to outperform other model alternatives because they provide the ability to more easily prescribe noncanonical inflows and their low cost allows for simulations to be repeated as needed. Dynamic measurements were only available for the unstable benchmark at a single downstream distance. These dynamic analyses revealed that differences in the performance of time-stepping models come largely from differences in wake meandering. This highlights the need for more validation exercises that take into account wake dynamics and are able to identify where these differences come from: mesh setup, inflow, turbulence models, or wake-meandering parameterizations. In addition to model validation findings, we summarize lessons learned and provide recommendations for future benchmark exercises.

17 WIND ENERGY↗
DOE OSTI2019

DIY XES-development of an inexpensive, versatile, and easy to fabricate XES analyzer and sample delivery system

The application of X-ray emission spectroscopy (XES) has grown substantially with the development of X-ray free-electron lasers, third and fourth generation synchrotron sources, and high-power benchtop sources. By providing the high X-ray flux required for XES, these sources broaden the availability and application of this method of probing electronic structure. As the number of sources increase, so does the demand for X-ray emission detection and sample delivery systems that are cost effective and customizable. In this work, we present a detailed fabrication protocol for von Hamos X-ray optics and give details for a 3D-printed spectrometer design. Additionally, we outline an automated, externally triggered liquid sample delivery system that can be used to repeatedly deliver nanoliter droplets onto a plastic substrate for measurement. These systems are both low cost, efficient, and easy to recreate or modify depending on the application. A low cost multiple X-ray analyzer system enables measurement of dilute samples, whereas the sample delivery limits sample loss and reproducibly replaces spent sample with fresh sample in the same position. While both systems can be used in a wide range of applications, the design addresses several challenges associated specifically with time-resolved XES (TRXES). As an example application, we show results from TRXES measurements of photosystem II, a dilute, photoactive protein.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

A combinatorial approach to synthetic transcription factor-promoter combinations for yeast strain engineering

Despite the need for inducible promoters in strain development efforts, the majority of engineering in Saccharomyces cerevisiae continues to rely on a few constitutively active or inducible promoters. Building on advances that use the modular nature of both transcription factors and promoter regions, we have built a library of hybrid promoters that are regulated by a synthetic transcription factor. The hybrid promoters consist of native S. cerevisiae promoters, in which the operator regions have been replaced with sequences that are recognized by the bacterial LexA DNA binding protein. Correspondingly, the synthetic transcription factor (TF) consists of the DNA binding domain of the LexA protein, fused with the human estrogen binding domain and the viral activator domain, VP16. The resulting system with a bacterial DNA binding domain avoids the transcription of native S. cerevisiae genes, and the hybrid promoters can be induced using estradiol, a compound with no detectable impact on S. cerevisiae physiology. Using combinations of one, two or three operator sequence repeats and a set of native S. cerevisiae promoters, we obtained a series of hybrid promoters that can be induced to different levels, using the same synthetic TF and a given estradiol. Finally, this set of promoters, in combination with our synthetic TF, has the potential to regulate numerous genes or pathways simultaneously, to multiple desired levels, in a single strain.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Substrate, temperature, and geographical patterns among nearly 2000 natural yeast isolates

Yeasts have broad importance as industrially and clinically relevant microbes and as powerful models for fundamental research, but we are only beginning to understand the roles yeasts play in natural ecosystems. Yeast ecology is often more difficult to study compared to other, more abundant microbes, but growing collections of natural yeast isolates are beginning to shed light on fundamental ecological questions. In this work, we used environmental sampling and isolation to assemble a dataset of 1962 isolates collected from throughout the contiguous United States of America (USA) and Alaska, which were then used to uncover geographic patterns, along with substrate and temperature associations among yeast taxa. We found some taxa, including the common yeasts Torulaspora delbrueckii and Saccharomyces paradoxus, to be repeatedly isolated from multiple sampled regions of the USA, and we classify these as broadly distributed cosmopolitan yeasts. A number of yeast taxon-substrate associations were identified, some of which were novel and some of which support previously reported associations. Further, we found a strong effect of isolation temperature on the phyla of yeasts recovered, as well as for many species. We speculate that substrate and isolation temperature associations reflect the ecological diversity of and niche partitioning by yeast taxa.

59 BASIC BIOLOGICAL SCIENCES↗