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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Extension of the Dytlewski-style dead time correction formalism for neutron multiplicity counting to any order

Here, neutron multiplicity counting using shift-register calculus is an established technique in the science of international nuclear safeguards for the identification, verification, and assay of special nuclear materials. Typically passive counting is used for Pu and mixed Pu-U items and active methods are used for U materials. Three measured counting rates, singles, doubles and triples are measured and, in combination with a simple analytical point-model, are used to calculate characteristics of the measurement item in terms of known detector and nuclear parameters. However, the measurement problem usually involves more than three quantities of interest, but even in cases where the next higher order count rate, quads, is statistically viable, it is not quantitatively applied because corrections for dead time losses are currently not available in the predominant analysis paradigm. In this work we overcome this limitation by extending the commonly used dead time correction method, developed by Dytlewski, to quads. We also give results for pents, which may be of interest for certain special investigations. Extension to still higher orders, may be accomplished by inspection based on the sequence presented. We discuss the foundations of the Dytlewski method, give limiting cases, and highlight the opportunities and implications that these new results expose. In particular there exist a number of ways in which the new results may be combined with other approaches to extract the correlated rates, and this leads to various practical implementations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1984

A survey of strength analysis methods for laminates with holes

The methods for predicting the strength of composite laminates with fastener holes are reviewed for the cases of unloaded as well as loaded holes. Three categories of methods are discussed: (1) the hole-boundary stress (HBS) methods which compare the peak stresses and the laminate strength; (2) the linear elastic fracture (LEFM) methods which assume cracks emanating from the hole and predict failure when the stress intensity factor for a crack equals the laminate fracture toughness; and (3) two different two-parameter (TP) methods: the average-stress (ASTP) method, which predicts failure when the average stress over a distance from the hole equals the laminate strength; and the point-stress (PSTP) Whitney-Nuismer (1974) approach, which predicts failure when the stress near the hole equals the material strength. The PSTP is relatively accurate and is by far the most widely used of all the prediction methods. However, for large ranges of variables and cases, the current strength predictions may not always be accurate.

Crews, J. H., Jr.↗
NASA NTRS2011

Ab initio Computations of the Electronic, Mechanical, and Thermal Properties of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2

Refractory materials such as metallic borides, often considered as ultra high temperature ceramics (UHTC), are characterized by high melting point, high hardness, and good chemical inertness. These materials have many applications which require high temperature materials that can operate with no or limited oxidation. Ab initio, first principles methods are the most accurate modeling approaches available and represent a parameter free description of the material based on the quantum mechanical equations. Using these methods, many of the intrinsic properties of these material can be obtained. We performed ab initio calculations based on density functional theory for the UHTC materials ZrB2 and HfB2. Computational results are presented for structural information (lattice constants, bond lengths, etc), electronic structure (bonding motifs, densities of states, band structure, etc), thermal quantities (phonon spectra, phonon densities of states, specific heat), as well as information about point defects such as vacancy and antisite formation energies.

Lawson, John W.↗
DOE OSTI2019

Monitoring of Thermal-Induced Changes in Liver Stiffness During Controlled Hyperthermia and Microwave Ablation in an Ex Vivo Bovine Model Using Point Shear Wave Elastography

Purpose: To investigate liver stiffness changes—evaluated by point shear wave elastography (pSWE)—in controlled hyperthermia and microwave ablation (MWA) in an ex vivo animal model. Materials and Methods: Five samples of ex vivo bovine liver were uniformly heated to temperatures ranging from 40 to 100 °C. B-mode ultrasound imaging and pSWE were acquired simultaneously, and shear wave velocity (SWV) was measured in a region of interest (ROI). The threshold value of SWV at 60 °C (avg60) was identified. Subsequently, MWA was performed in 11 liver samples at 60 W until avg60 + 0.5 m/s was reached. SWV was measured in ROIs at 10–40 mm from the antenna feed. The correlation of mean values of SWV with location (within, border, or outside necrotic area) at gross pathology was evaluated. Results: In controlled hyperthermia experiments, a steep transition in liver stiffness was observed at 63.0 ± 2.4 °C (SWV 3.54 ± 0.68 m/s). Avg60 was of 2.5 m/s. In 8/9 MWA experiments, interrupted when SWV of 3 m/s was measured, the ROI was at the inner side of the necrotic area border at pathology (accuracy 89%). No correlation between SWV values for outside, border, and within necrosis could be identified. Conclusions: pSWE can provide a velocity threshold predictive of the presence of coagulation necrosis during MWA in ex vivo liver model. However, pSWE is not able to reliably capture changes in stiffness within, at the border, and outside the necrotic zone in this experimental model.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2012

Compliant alkali silicate sealing glass for solid oxide fuel cell applications: the effect of protective alumina coating on electrical stability in dual environment

An alkali-containing silicate glass was recently proposed as a potential sealant for solid oxide fuel cells (SOFC). The glass contains appreciable amount of alkalis and retains its glassy microstructure at elevated temperatures over time. It is more compliant as compared to conventional glass-ceramics sealants and could potentially heal cracks during thermal cycling. In previous papers the thermal cycle stability, thermal stability and chemical compatibility were reported with yttria-stabilized zirconia (YSZ) electrolyte and YSZ-coated ferritic stainless steel interconnect. In this paper, we report the electrical stability of the compliant glass with aluminized AISI441 interconnect material under DC load in dual environment at 700-800oC. Apparent electrical resistivity was measured with a 4-point method for the glass sealed between two aluminized AISI441 metal coupons as well as plain AISI441 substrates. The results showed good electrical stability with the aluminized AISI441 substrate, while unstable behavior was observed for un-coated substrates. In addition, interfacial microstructure was examined with scanning electron microscopy and correlated with the measured resistivity results. Overall, the alumina coating demonstrated good chemical stability with the alkali-containing silicate sealing glass under DC loading.

aluminization↗
DOE OSTI2018

Bond-associated deformation gradients for peridynamic correspondence model

Non-ordinary state-based peridynamic correspondence material model is known to have issues with material instability, i.e. the existence of zero-energy modes, due to non-unique mapping between deformation states and force states via the conventional peridynamic deformation gradient. In this paper, an alternative approach in which the deformation gradient hence force state are computed specifically for each individual bond is proposed to eliminate the material instability. Bond-associated deformation gradient is calculated based on deformation states of material points within an individual bond’s proximity, termed here as the bond-associated family, rather than a material point’s whole family. This bond-associated deformation gradient can better represent the force state of each individual bond from the deformation states of material points in its proximity, and hence inherently resolves issues of material instability in the conventional correspondence material model. Parametric study on bond-associated horizon size indicates that the optimal size should be no less than the material point’s horizon size but smaller than two times of that value. Comparisons against reference solutions using finite element method establish the validity and accuracy of the proposed formulation.

42 ENGINEERING↗
DOE OSTI2016

Atomic layer deposition on polymer fibers and fabrics for multifunctional and electronic textiles

Textile materials, including woven cotton, polymer knit fabrics, and synthetic nonwoven fiber mats, are being explored as low-cost, flexible, and light-weight platforms for wearable electronic sensing, communication, energy generation, and storage. The natural porosity and high surface area in textiles is also useful for new applications in environmental protection, chemical decontamination, pharmaceutical and chemical manufacturing, catalytic support, tissue regeneration, and others. These applications raise opportunities for new chemistries, chemical processes, biological coupling, and nanodevice systems that can readily combine with textile manufacturing to create new “multifunctional” fabrics. Atomic layer deposition (ALD) has a unique ability to form highly uniform and conformal thin films at low processing temperature on nonuniform high aspect ratio surfaces. Recent research shows how ALD can coat, modify, and otherwise improve polymer fibers and textiles by incorporating new materials for viable electronic and other multifunctional capabilities. This article provides a current overview of the understanding of ALD coating and modification of textiles, including current capabilities and outstanding problems, with the goal of providing a starting point for further research and advances in this field. After a brief introduction to textile materials and current textile treatment methods, the authors discuss unique properties of ALD-coated textiles, followed by a review of recent electronic and multifunctional textiles that use ALD coatings either as direct functional components or as critical nucleation layers for active materials integration. The article concludes with possible future directions for ALD on textiles, including the challenges in materials, manufacturing, and manufacturing integration that must be overcome for ALD to reach its full potential in electronic and other emerging multifunctional textile systems.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Fast and versatile sequence-independent protein docking for nanomaterials design using RPXDock

Computationally designed multi-subunit assemblies have shown considerable promise for a variety of applications, including a new generation of potent vaccines. One of the major routes to such materials is rigid body sequence-independent docking of cyclic oligomers into architectures with point group or lattice symmetries. Current methods for docking and designing such assemblies are tailored to specific classes of symmetry and are difficult to modify for novel applications. Here we describe RPXDock, a fast, flexible, and modular software package for sequence-independent rigid-body protein docking across a wide range of symmetric architectures that is easily customizable for further development. RPXDock uses an efficient hierarchical search and a residue-pair transform ( RPX ) scoring method to rapidly search through multidimensional docking space. We describe the structure of the software, provide practical guidelines for its use, and describe the available functionalities including a variety of score functions and filtering tools that can be used to guide and refine docking results towards desired configurations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

Molten Salt-Carbon Nanotube Thermal Energy Storage for Concentrating Solar Power Systems (Final Report)

We demonstrated that adding nanoparticles to a molten salt would increase its utility as a thermal energy storage medium for a concentrating solar power system. Specifically, we demonstrated that we could increase the specific heat of nitrate and carbonate salts containing 1% or less of alumina nanoparticles. We fabricated the composite materials using both evaporative and air drying methods. We tested several thermophysical properties of the composite materials, including the specific heat, thermal conductivity, latent heat, and melting point. We also assessed the stability of the composite material with repeated thermal cycling and the effects of adding the nanoparticles on the corrosion of stainless steel by the composite salt. Our results indicate that stable, repeatable 25-50% improvements in specific heat are possible for these materials. We found that using these composite salts as the thermal energy storage material for a concentrating solar thermal power system can reduce the levelized cost of electricity by 10-20%. We conclude that these materials are worth further development and inclusion in future concentrating solar power systems.

14 SOLAR ENERGY↗
DOE OSTI2018

Plastic phase change material and articles made therefrom

The present invention generally relates to a method for manufacturing phase change material (PCM) pellets. The method includes providing a melt composition, including paraffin and a polymer. The paraffin has a melt point of between about 10.degree. C. and about 50.degree. C., and more preferably between about 18.degree. C. and about 28.degree. C. In one embodiment, the melt composition includes various additives, such as a flame retardant. The method further includes forming the melt composition into PCM pellets. The method further may include the step of cooling the melt to increase the melt viscosity before pelletizing. Further, PCM compounds are provided having an organic PCM and a polymer. Methods are provided to convert the PCM compounds into various form-stable PCMs. A method of coating the PCMs is included to provide PCMs with substantially no paraffin seepage and with ignition resistance properties.

Abhari, Ramin↗
NASA NTRS1989

X-ray beam method for displacement measurement in hostile environments

A new method of extensometry using an X-ray beam was devised, and the results of current testing reveal it to be highly feasible. This technique has been shown to provide a non-contacting system that is immune to problems associated with density variations in gaseous environments, that plague currently available optical methods. This advantage is a result of the non-refracting penetrating nature of X-rays. The method is based on X-ray-induced X-ray fluorescence of targets, which subsequently serve as fudicial markers. Some target materials have melting points over 1600 degrees C which will facilitate measurement at extremely high temperatures. A highly focused intense X-ray beam, which is produced using a Johansen 'bent crystal', is then scanned across the target, which responds by fluorescing X-rays when stimulated by the incident beam. This secondary radiation is monitored using a detector. By carefully measuring beam orientation, change in target edge position can be determined. Many variations on this basic theme are now possible such as two targets demarcating a gage length, or a beam shadowing method using opaque targets.

Jordan, Eric H.↗
DOE OSTI2024

On the Onset of Plasticity: Determination of Strength and Ductility

The analysis of the work hardening variation with stress reveals insight to operative stress-strain mechanisms in material systems. The onset of plasticity can be assessed and related to ensuing plastic deformation up to the structural instability using one constitutive relationship that incorporates both behaviors of rapid work hardening (Stage 3) and the asymptotic leveling of stress (Stage 4). Results are presented for the mechanical behavior analysis of Ti-6Al-4V wherein the work hardening variation of Stages 3 and 4 are found to: be dependent through a constitutive relationship; be useful in a Hall-Petch formulation of yield strength; and provide the basis for a two point-slope fit method to model the experimental work hardening and stress-strain behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Rapid microwave synthesis of the iron arsenides NdFeAsO and NdFe{sub 0.9}Co{sub 0.1}AsO

Graphical abstract: For the first time, a rapid method for synthesizing NdFeAsO and NdFe{sub 0.9}Co{sub 0.1}AsO is reported. This method uses 2.45 GHz microwave radiation and an additional microwave susceptor to drive the reaction. The superconducting properties NdFe{sub 0.9}Co{sub 0.1}AsO of microwave synthesized materials match well with those reported previously. Highlights: Black-Right-Pointing-Pointer Microwave assisted solid state synthesis of NdFeAsO and NdFe{sub 0.9}Co{sub 0.1}AsO is reported. Black-Right-Pointing-Pointer Synthesis of high quality samples is achieved after 50 min microwave exposure. Black-Right-Pointing-Pointer Physical properties of microwave samples match those prepared conventionally. -- Abstract: The future of iron pnictide superconductors in technology is still undecided. While these materials are now known to possess relatively high critical temperatures and critical magnetic fields, processing methods for these superconductors are still in the development stage. Recently we have been investigating possible ways to speed up the synthetic process for obtaining polycrystalline iron arsenide superconductors and other transition metal pnictides. Here we report the synthesis of NdFeAsO and NdFe{sub 0.9}Co{sub 0.1}AsO in less than 1 h total exposure to microwave radiation using an additional microwave susceptor to surround the reaction ampoule. Structure and property measurements reveal the samples to be of high quality and superconducting when Co doped.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

High-κ Al{sub 2}O{sub 3} material in low temperature wafer-level bonding for 3D integration application

This work systematically investigated a high-κ Al{sub 2}O{sub 3} material for low temperature wafer-level bonding for potential applications in 3D microsystems. A clean Si wafer with an Al{sub 2}O{sub 3} layer thickness of 50 nm was applied as our experimental approach. Bonding was initiated in a clean room ambient after surface activation, followed by annealing under inert ambient conditions at 300 °C for 3 h. The investigation consisted of three parts: a mechanical support study using the four-point bending method, hermeticity measurements using the helium bomb test, and thermal conductivity analysis for potential heterogeneous bonding. Compared with samples bonded using a conventional oxide bonding material (SiO{sub 2}), a higher interfacial adhesion energy (∼11.93 J/m{sup 2}) and a lower helium leak rate (∼6.84 × 10{sup −10} atm.cm{sup 3}/sec) were detected for samples bonded using Al{sub 2}O{sub 3}. More importantly, due to the excellent thermal conductivity performance of Al{sub 2}O{sub 3}, this technology can be used in heterogeneous direct bonding, which has potential applications for enhancing the performance of Si photonic integrated devices.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Simulating complex atomistic processes: On-the-fly kinetic Monte Carlo scheme with selective active volumes

An accelerated atomistic kinetic Monte Carlo (KMC) approach for evolving complex atomistic structures has been developed. The method incorporates on-the-fly calculations of transition states (TSs) with a scheme for defining active volumes (AVs) in an off-lattice (relaxed) system. In contrast to conventional KMC models that require all reactions to be predetermined, this approach is self-evolving and any physically relevant motion or reaction may occur. Application of this self-evolving atomistic kinetic Monte Carlo (SEAK-MC) approach is illustrated by predicting the evolution of a complex defect configuration obtained in a molecular dynamics (MD) simulation of a displacement cascade in Fe. Over much longer times, it was shown that interstitial clusters interacting with other defects may change their structure, e.g., from glissile to sessile configuration. The direct comparison with MD modeling confirms the atomistic fidelity of the approach, while the longer time simulation demonstrates the unique capability of the model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Rapid simulations of hyperspectral near-field images of three-dimensional heterogeneous surfaces

The scattering-type scanning near-field optical microscope (s-SNOM) has emerged as a powerful tool for resolving nanoscale inhomogeneities in laterally heterogeneous samples. However, most analytical models used to predict the scattering near-field signals are assuming homogenous landscapes (bulk materials), resulting in inconsistencies when applied to samples with more complex configurations. In this work, we combine the point-dipole model (PDM) to the finite-element method (FEM) to account for the lateral and vertical heterogeneities while keeping the computation time manageable. Full images, spectra, or hyperspectral line profiles can be simulated by calculating the self-consistent dipole radiation demodulated at higher harmonics of the tip oscillation, mimicking real experimental procedures. Using this formalism, we clarify several important yet puzzling experimental observations in near-field images on samples with rich typography and complex material compositions, heterostructures of two-dimensional material flakes, and plasmonic antennas. The developed method serves as a basis for future investigations of nano-systems with nontrivial topography.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The Defects Genome of Janus Transition Metal Dichalcogenides

2D Janus Transition Metal Dichalcogenides (TMDs) have attracted much interest due to their exciting quantum properties arising from their unique two-faced structure, broken-mirror symmetry, and consequent colossal polarization field within the monolayer. While efforts are made to achieve high-quality Janus monolayers, the existing methods rely on highly energetic processes that introduce unwanted grain-boundary and point defects with still unexplored effects on the material's structural and excitonic properties Through high-resolution scanning transmission electron microscopy (HRSTEM), density functional theory (DFT), and optical spectroscopy measurements; this work introduces the most encountered and energetically stable point defects. It establishes their impact on the material's optical properties. HRSTEM studies show that the most energetically stable point defects are single (V S and V Se ) and double chalcogen vacancy (V S −V Se ), interstitial defects (Mi), and metal impurities (MW) and establish their structural characteristics. DFT further establishes their formation energies and related localized bands within the forbidden band. Cryogenic excitonic studies on h-BN-encapsulated Janus monolayers offer a clear correlation between these structural defects and observed emission features, which closely align with the results of the theory. Finally, the overall results introduce the defect genome of Janus TMDs as an essential guideline for assessing their structural quality and device properties.

2D materials↗