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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Layer-by-layer assembly of a [Fe-(pyrazine){Pd(CN) 4 }] spin crossover thin film

Abstract [Fe-(pyrazine){Pd(CN) 4 }] (pyrazine = pz) thin films were fabricated using a layer-by-layer assembly approach, a method known to be tunable, versatile, and scalable, since thin films are better-suited for industrial applications. In this study, [Fe-(pz){Pd(CN) 4 }] powder was synthesized, and the results obtained from a vibrating sample magnetometer verified the presence of an abrupt hysteresis loop with widths of 45 K centered around 300 K, indicating good cooperativity. Super conducting quantum interference device magnetometry results indicated a slow spin transition with temperature but with evidence of hysteresis for thin film samples. X-ray absorption analysis provided further support of the spin crossover behavior but differs from the magnetometry because the spin state transition at the surface differs from the bulk of the thin film. X-ray photoelectron spectroscopy provided some insight into issues with the film deposition process and multiplex fitting was used to further support the claim that the surface of the film is different than the bulk of the film.

McElveen, Kayleigh A. (ORCID:0000000210302913)↗
DOE OSTI2016

Identification of rhenium donors and sulfur vacancy acceptors in layered MoS{sub 2} bulk samples

MoS{sub 2} monolayers, a two-dimensional (2D) direct semiconductor material with an energy gap of 1.9 eV, offer many opportunities to be explored in different electronic devices. Defects often play dominant roles in the electronic and optical properties of semiconductor devices. However, little experimental information about intrinsic and extrinsic defects or impurities is available for this 2D system, and even for macroscopic 3D samples for which MoS{sub 2} shows an indirect bandgap of 1.3 eV. In this work, we evaluate the nature of impurities with unpaired spins using electron paramagnetic resonance (EPR) in different geological macroscopic samples. Regarding the fact that monolayers are mostly obtained from natural crystals, we expect that the majority of impurities found in macroscopic samples are also randomly present in MoS{sub 2} monolayers. By EPR at low temperatures, rhenium donors and sulfur vacancy acceptors are identified as the main impurities in bulk MoS{sub 2} with a corresponding donor concentration of about 10{sup 8–12} defects/cm{sup 2} for MoS{sub 2} monolayer. Electrical transport experiments as a function of temperature are in good agreement with the EPR results, revealing a shallow donor state with an ionization energy of 89 meV and a concentration of 7 × 10{sup 15 }cm{sup −3}, which we attribute to rhenium, as well as a second deeper donor state with ionization energy of 241 meV with high concentration of 2 × 10{sup 19 }cm{sup −3} and net acceptor concentration of 5 × 10{sup 18 }cm{sup −3} related to sulfur vacancies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Full data acquisition in Kelvin Probe Force Microscopy: Mapping dynamic electric phenomena in real space

Kelvin probe force microscopy (KPFM) has provided deep insights into the role local electronic, ionic and electrochemical processes play on the global functionality of materials and devices, even down to the atomic scale. Conventional KPFM utilizes heterodyne detection and bias feedback to measure the contact potential difference (CPD) between tip and sample. This measurement paradigm, however, permits only partial recovery of the information encoded in bias- and time-dependent electrostatic interactions between the tip and sample and effectively down-samples the cantilever response to a single measurement of CPD per pixel. This level of detail is insufficient for electroactive materials, devices, or solid-liquid interfaces, where non-linear dielectrics are present or spurious electrostatic events are possible. Here, we simulate and experimentally validate a novel approach for spatially resolved KPFM capable of a full information transfer of the dynamic electric processes occurring between tip and sample. General acquisition mode, or G-Mode, adopts a big data approach utilising high speed detection, compression, and storage of the raw cantilever deflection signal in its entirety at high sampling rates (> 4 MHz), providing a permanent record of the tip trajectory. We develop a range of methodologies for analysing the resultant large multidimensional datasets involving classical, physics-based and information-based approaches. Physics-based analysis of G-Mode KPFM data recovers the parabolic bias dependence of the electrostatic force for each cycle of the excitation voltage, leading to a multidimensional dataset containing spatial and temporal dependence of the CPD and capacitance channels. We use multivariate statistical methods to reduce data volume and separate the complex multidimensional data sets into statistically significant components that can then be mapped onto separate physical mechanisms. Overall, G-Mode KPFM offers a new paradigm to study dynamic electric phenomena in electroactive interfaces as well as offer a promising approach to extend KPFM to solid-liquid interfaces.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

A Holographic Prism Based on Photo-Thermo-Refractive Glass: Requirements and Possibilities

A technology for multivalued holographic measurement of a plane angle—a holographic prism, which serves as the basis for a device for calibrating the testing tools for navigational equipment under rolling— has been developed. The holographic prism is a miniature sample of photosensitive material, which contains a system of superimposed holographic gratings, and a laser the radiation of which passes through gratings to form a fan of diffracted beams. The fan in a prism based on a calcium fluoride (fluorite) crystal with color centers contained six out-of-plane beams radiating from a region with a hard-to-localize center. This fact hindered calibration of the measure and its application in the testing device. The use of photothermo-refractive glass as a material for preparing a sample and recording a system of holograms in it makes it possible to eliminate the drawbacks of fluorite-based prism. The number of holograms rises up to 21, the fan becomes in-plane, and its center is localized in a small region, with a size of several tenths of the sample thickness (1–2 mm). The fan beams are energetically homogeneous, and each can be identified when using the fan in a testing device.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Supervised Gamma Process Poisson Factorization

This thesis develops the supervised gamma process Poisson factorization (S- GPPF) framework, a novel supervised topic model for joint modeling of count matrices and document labels. S-GPPF is fully generative and nonparametric: document labels and count matrices are modeled under a uni ed probabilistic framework and the number of latent topics is controlled automatically via a gamma process prior. The framework provides for multi-class classification of documents using a generative max-margin classifier. Several recent data augmentation techniques are leveraged to provide for exact inference using a Gibbs sampling scheme. The first portion of this thesis reviews supervised topic modeling and several key mathematical devices used in the formulation of S-GPPF. The thesis then introduces the S-GPPF generative model and derives the conditional posterior distributions of the latent variables for posterior inference via Gibbs sampling. The S-GPPF is shown to exhibit state-of-the-art performance for joint topic modeling and document classification on a dataset of conference abstracts, beating out competing supervised topic models. The unique properties of S-GPPF along with its competitive performance make it a novel contribution to supervised topic modeling.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Dean vortex-enhanced blood plasma separation in self-driven spiral microchannel flow with cross-flow microfilters

Point-of-care (POC) diagnostic devices have been developing rapidly in recent years, but they are mainly using saliva instead of blood as a test sample. A highly efficient self-separation during the self-driven flow without power systems is desired for expanding the point-of-care diagnostic devices. Microfiltration stands out as a promising technique for blood plasma separation but faces limitations due to blood cell clogging, resulting in reduced separation speed and efficiency. These limitations are mainly caused by the high viscosity and hematocrit in the blood flow. A small increment in the hematocrit of the blood significantly increases the pressure needed for the blood plasma separation in the micro-filters and decreases the separation speed and efficiency. Addressing this challenge, this study explores the feasibility of diluting whole blood within a microfluidic device without external power systems. This study implemented a spiral microchannel utilizing the inertial focusing and Dean vortex effects to focus the red blood cells and extract the blood with lower hematocrit. The inertial migration of the particles during the capillary flow was first investigated experimentally; a maximum of 88% of the particles migrated to the bottom and top equilibrium positions in the optimized 350 × 60 μm (cross-sectional area, 5.8 aspect ratio) microchannel. With the optimized dimension of the microchannel, the whole blood samples within the physiological hematocrit range were tested in the experiments, and more than 10% of the hematocrit reduction was compared between the outer branch outlet and inner branch outlet in the 350 × 60 μm microchannel.

Biochemistry & Molecular Biology↗
DOE OSTI2017

Low-profile self-sealing sample transfer flexure box

A flexural bearing mechanism has enabled the development of a self-sealing box for protecting air sensitive samples during transfer between glove boxes, micro-machining equipment, and microscopy equipment. The simplicity and self-actuating feature of this design makes it applicable to many devices that operate under vacuum conditions. The models used to design the flexural mechanism are presented in detail. Lastly, the device has been tested in a Zeiss Merlin GEMINI II scanning electron microscope with Li 3 PS 4 samples, showing effective isolation from air and corrosion prevention.

42 ENGINEERING↗
DOE OSTI2021

Towards additive manufacturing of magnetocaloric working materials

The feasibility of three-dimensional printing via the Directed Energy Deposition (DED) technique is demonstrated for the ferromagnetic AlFe 2 B 2 (aka 1-2-2) compound, which shows promise as a working material for room-temperature magnetocaloric devices. Like many intermetallic materials, the 1-2-2 compound is brittle at room temperature; not only is it difficult to synthesize from the melt, it is challenging to form it into useful geometries necessary for effective heat transfer in magnetocaloric devices. Using Laser Engineered Net Shaping (LENS TM ) synthesis from two powder precursors, AlB 2 and Fe, samples of simple (rod) and complex (honeycomb) architectures were successfully synthesized. Furthermore, the phase constitution and distribution, magnetic transition temperature, and saturation magnetization determined for the LENS TM -synthesized rod sample are all similar to those obtained for 1-2-2 materials made by conventional casting. Further, the measured magnetic entropy change, as determined from Maxwell's Relations applied to magnetic data, indicates that the magnetocaloric response of the annealed LENS TM -printed rod samples are comparable to those of the 1-2-2 compounds made by conventional techniques. These results confirm that complex magnetofunctional shapes, which are needed for efficient energy conversion in magnetocaloric devices, can be rapidly fabricated from the AlFe 2 B 2 compound.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Group-theoretic error mitigation enabled by classical shadows and symmetries

Abstract Estimating expectation values is a key subroutine in quantum algorithms. Near-term implementations face two major challenges: a limited number of samples required to learn a large collection of observables, and the accumulation of errors in devices without quantum error correction. To address these challenges simultaneously, we develop a quantum error-mitigation strategy called symmetry-adjusted classical shadows , by adjusting classical-shadow tomography according to how symmetries are corrupted by device errors. As a concrete example, we highlight global U(1) symmetry, which manifests in fermions as particle number and in spins as total magnetization, and illustrate their group-theoretic unification with respective classical-shadow protocols. We establish rigorous sampling bounds under readout errors obeying minimal assumptions, and perform numerical experiments with a more comprehensive model of gate-level errors derived from existing quantum processors. Our results reveal symmetry-adjusted classical shadows as a low-cost strategy to mitigate errors from noisy quantum experiments in the ubiquitous presence of symmetry.

Zhao, Andrew (ORCID:0000000202990277)↗
DOE OSTI2018

Use of an Open Port Sampling Interface Coupled to Electrospray Ionization for the On-Line Analysis of Organic Aerosol Particles

A simple design for an open port sampling interface coupled to electrospray ionization (OPSI-ESI) is presented for the analysis of organic aerosols. The design uses minimal modifications to a Bruker electrospray (ESI) emitter to create a continuous flow, self-aspirating open port sampling interface. Considerations are presented for introducing aerosol to the open port sampling interface including aerosol gas flow and solvent flow rates. The device has been demonstrated for use with an aerosol of nicotine as well as aerosol formed in the pyrolysis of biomass. Upon comparison with extractive electrospray ionization (EESI), this device has similar sensitivity with increased reproducibility by nearly a factor of three. The device has the form factor of a standard Bruker/Agilent ESI emitter and can be used without any further instrument modifications. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Electronic and multiferroic properties of Zn{sub 0.85}Mg{sub 0.15}O thin film

Thin film sample of Zn{sub 0.85}Mg{sub 0.15}O was prepared on Si (100) substrate by pulsed laser deposition and its structural, electronic, magnetic and ferroelectric properties were investigated. The Zn{sub 0.85}Mg{sub 0.15}O thin film sample is found to show room temperature multiferroic properties; suitable for device fabrication.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Origins of large light induced voltage in magnetic tunnel junctions grown on semiconductor substrates

Recently, the study of interactions between electron spins and heat currents has given rise to the field of “Spin Caloritronics”. Experimental studies of these interactions have shown a possibility to combine the use of heat and light to power magnetic tunnel junction (MTJ) devices. Here we present a careful study of an MTJ device on Si substrate that can be powered entirely by light. We analyze the influence of the material properties, device geometry, and laser characteristics on the electric response of the sample. We demonstrate that by engineering the MTJ and its electrical contact, a large photovoltage reaching 100 mV can be generated. This voltage originates from the Si substrate and depends on the MTJ magnetic configuration. Finally, we discuss the origin of the photo-voltage in terms of Seebeck and photovoltaic effects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Field expedient stool collection methods for gut microbiome analysis in deployed military environments

ABSTRACT Field expedient devices and protocols for the collection, storage, and shipment of stool samples in deployed settings are needed for the advancement of microbiome research in military health. Relevant assessments include the evaluation of microbiome signatures associated with susceptibility to travelers’ diarrhea and recovery of gut function following infection. However, inherent biases in microbial measurements due to preservatives and sampling methods are unclear and should be assessed for an accurate evaluation of the microbiome. We performed shotgun metagenomic sequencing and compared the microbiome composition in paired fecal samples collected using Flinters Technology Associates (FTA) cards and OMNIgene (OG) Gut tubes, prior to and during international travel, from 49 adult participants, 39 of whom remained asymptomatic and 10 experienced travelers’ diarrhea. Higher concentrations of nucleic acid and sequencing libraries were observed in OG samples. A majority of genera (82.9%) were detected with both methods, and detections of genera limited to one collection method were not highly prevalent across samples and were present in extremely low relative abundances (<0.01%). Differences in beta diversity were largely explained by inter-individuality of microbiome composition, followed by the effect of collection method and timepoint-disease states. Differential abundance analysis indicated that Corynebacterium and Blautia were consistently higher in abundance across all groups with FTA and OG collection, respectively. The observed differences in microbiome composition between methods suggest the need for consistent and standardized protocols within a study. Overall, the data presented here could help guide the future design of fecal microbiome study protocols in field and military deployment settings. IMPORTANCE The assessment of field-deployable methods for fecal sample collection and storage is required to reliably capture samples collected in remote and austere locations. This study describes a comparative metagenomics analysis between samples collected by two different commercially available methods in a military-deployed setting. The results presented here are foundational for the future design of fecal microbiome study protocols in an operational context.

field study↗
DOE OSTI2016

Thermal Testing Quality Assurance of 24LCC & 3LCC Electronic Packages

The purpose of this project is to experimentally validate the thermal fatigue life of solder interconnects for a variety of surface mount electronic packages. Over the years, there has been a significant amount of research and analysis in the fracture of solder joints on printed circuit boards. Solder is important in the mechanical and electronic functionality of the component. It is important throughout the life of the product that the solder remains crack and fracture free. The specific type of solder used in this experiment is a 63Sn37Pb eutectic alloy. Each package was manufactured with conformal coating along with and without an underfill material below the device. Conformal coating helps protect the board from environments such as electrostatic discharge and humidity. It is commonly used in broad types of engineering disciplines such as commercial, military, research and development, etc. Conformal coating can also pose a risk for the life of the board because of its high thermal expansion coefficient. This can greatly decrease the life of the product if it regularly sees high temperature variations. This leads to a shorter fatigue life of the solder. The fatigue life is a common mechanical problem in the field of electronic devices. Adding underfill can help increase the fatigue life of the solder. However, applying underfill adds time to manufacturing and production. This ultimately increases the cost per unit. The study of conformal coated printed circuit boards with and without underfill was done on two different surface mount electronic packages. The electronic packages studied were 24 and 3 contact Leadless Ceramic Chips packages. When the package was not underfilled, the coating was allowed to flow underneath. The assembly was analyzed and tested to obtain the best available combination of conformal coating, underfill, and potting to design the most robust and reliable circuit board while keeping in mind certain factors such as cost, manufacturing time, and need. Different types of conformal coatings were considered with and without underfill for each device. 29 of each component were manufactured to have a large sample size and for the sake of individual defects and imperfections. Finite Element Analysis (FEA) was performed by an engineer at Sandia National Laboratories for both Leadless Ceramic Chips. From the FEA results, a test acceleration profile was derived and the number of temperature cycles to fail the solder interconnects were found for three different cases. Experimentation was done as a secondary measure to validate this data to show confidence in the theoretical analysis. Accelerated testing functions as a quality check for the product. Accelerated testing is extremely useful in the research and development phase of engineering. It can save money from the potential of early life defects and the costs that come along with warranties. Accelerated testing makes a weaker design more robust and checks the reliability of a strong design in a shorter period of time. It is extremely helpful in a world where deliverables are in high demand and scheduling is tight. Accelerated testing helps the engineer gain an understanding of what needs to be improved and what works well. There are many different types of accelerated tests. Our circuit boards were accelerated inside a closed thermal chamber because of the high number of use cycles. The ultimate goal of this experimentation is to help identify what will prevent any premature cracking or fracturing in the solder alloy. It is important to understand that underfilling each component may or may not be needed. If underfill is not needed, there are several production benefits.

42 ENGINEERING↗
DOE OSTI2016

Simultaneous moisture content and mass flow measurements in wood chip flows using coupled dielectric and impact sensors

An 8-electrode capacitance tomography (ECT) sensor was built and used to measure moisture content (MC) and mass flow of pine chip flows. The device was capable of directly measuring total water quantity in a sample but was sensitive to both dry matter and moisture, and therefore required a second measurement of mass flow to calculate MC. Two means of calculating the mass flow were used: the first being an impact sensor to measure total mass flow, and the second a volumetric approach based on measuring total area occupied by wood in images generated using the capacitance sensor’s tomographic mode. Tests were made on 109 groups of wood chips ranging in moisture content from 14% to 120% (dry basis) and wet weight of 280 to 1100 g. Sixty groups were randomly selected as a calibration set, and the remaining were used for validation of the sensor’s performance. For the combined capacitance/force transducer system, root mean square errors of prediction (RMSEP) for wet mass flow and moisture content were 13.42% and 16.61%, respectively. RMSEP using the combined volumetric mass flow/capacitance sensor for dry mass flow and moisture content were 22.89% and 24.16%, respectively. Either of the approaches was concluded to be feasible for prediction of moisture content in pine chip flows, but combining the impact and capacitance sensors was easier to implement. As a result, in situations where flows could not be impeded, however, the tomographic approach would likely be more useful.

09 BIOMASS FUELS↗
DOE OSTI2022

Super resolution for magneto-optical microscopy

Sub-diffraction limited magneto-optical microscopy, such as Kerr or Faraday effect microscopy, provide many advantages to fields of science and technology for measuring, or imaging, the magnetization structures and magnetization domains of materials. Disclosed is a method and system for performing sub-diffraction limited magneto-optic microscopy. The method includes positioning a microlens or microlens layer relative to a surface of a sample to image the surface of the sample, forming a photonic nanojet to probe the surface of the sample, and receiving light reflected by the surface of the sample or transmitted through the sample at an imaging sensor. The methods and associated systems and devices enable sub-diffraction limited imaging of magnetic domains at resolutions 2 to 8 times the classical diffraction limit.

te Velthuis, Suzanne Gabriëlle Everdine↗
DOE OSTI2020

The Nature and State of Groundwater Contamination at the Nevada National Security Site: What Have We Learned from Decades of Groundwater Analysis? - 20337

The regulatory framework for remediating radionuclide contamination from underground nuclear testing at the Nevada National Security Site (NNSS) is based on a combination of characterization and modeling studies, monitoring, and institutional controls [1]. Currently, tritium is the largest contributor (∼90%) to the estimated 44.6 million-curie radionuclide inventory resulting from underground testing [2]. Because of its short half-life (12.32 years), its relative contribution reduces below 10% of the total radiologic inventory over the next 120 years as a result of radioactive decay. Although tritium levels are observed well above the Safe Drinking Water Act (SDWA) maximum contaminant levels (MCLs) in groundwater, other radionuclides are well below their MCLs except within the nuclear test near-field (nuclear test cavity and chimney) environment. In fact, most device-derived radionuclides are below their MCL in groundwater even in samples collected from this near-field environment. The distribution of radionuclides following the nuclear detonation greatly influences the availability of potential contaminants for groundwater transport. Tritium is initially distributed in the gas phase, later as tritiated water in steam, and finally as liquid water, and is available to groundwater transport away from the near-field environment. Other radionuclides that are mobile in groundwater are {sup 14}C, {sup 36}Cl, {sup 99}Tc, and {sup 129}I though their radiologic inventory is small when compared to tritium. Many radionuclides (e.g. U, Pu, Am) are incorporated to a significant extent into the melt glass at the bottom of the cavity and are accessible to groundwater primarily through the slow process of glass dissolution. These radionuclides are also adsorbed to the surfaces of the crushed rock within the cavity and chimney which limits their migration in groundwater. Although colloid facilitated transport of radionuclides at the NNSS has been observed [3], radionuclide concentrations decrease with time and migration distances due to desorption and colloid filtration processes. Current studies indicate that radionuclides associated with colloids are unlikely to migrate downgradient from NNSS underground nuclear tests at concentrations above the SDWA MCL [4][5]. The results of over 50 years of sampling, along with an understanding of these post detonation processes, indicate that tritium is the only contaminant of concern downgradient of testing and that even tritium will not exceed its MCL in groundwater after ∼120 years. Although other longer-lived radionuclides may continue to be released slowly from the near-field environment they will likely never reach levels exceeding their MCLs in groundwater downgradient of the NNSS. Groundwater monitoring will continue to verify these observations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗