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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
NASA NTRS2006

The Effect of Cumulus Cloud Field Anisotropy on Domain-Averaged Solar Fluxes and Atmospheric Heating Rates

Cumulus clouds can become tilted or elongated in the presence of wind shear. Nevertheless, most studies of the interaction of cumulus clouds and radiation have assumed these clouds to be isotropic. This paper describes an investigation of the effect of fair-weather cumulus cloud field anisotropy on domain-averaged solar fluxes and atmospheric heating rate profiles. A stochastic field generation algorithm was used to produce twenty three-dimensional liquid water content fields based on the statistical properties of cloud scenes from a large eddy simulation. Progressively greater degrees of x-z plane tilting and horizontal stretching were imposed on each of these scenes, so that an ensemble of scenes was produced for each level of distortion. The resulting scenes were used as input to a three-dimensional Monte Carlo radiative transfer model. Domain-average transmission, reflection, and absorption of broadband solar radiation were computed for each scene along with the average heating rate profile. Both tilt and horizontal stretching were found to significantly affect calculated fluxes, with the amount and sign of flux differences depending strongly on sun position relative to cloud distortion geometry. The mechanisms by which anisotropy interacts with solar fluxes were investigated by comparisons to independent pixel approximation and tilted independent pixel approximation computations for the same scenes. Cumulus anisotropy was found to most strongly impact solar radiative transfer by changing the effective cloud fraction, i.e., the cloud fraction when the field is projected on a surface perpendicular to the direction of the incident solar beam.

Hinkelman, Laura M.↗
NASA NTRS2012

Lattice Thermal Conductivity from Atomistic Simulations: ZrB2 and HfB2

Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 have a number of properties that make them attractive for applications in extreme environments. One such property is their high thermal conductivity. Computational modeling of these materials will facilitate understanding of fundamental mechanisms, elucidate structure-property relationships, and ultimately accelerate the materials design cycle. Progress in computational modeling of UHTCs however has been limited in part due to the absence of suitable interatomic potentials. Recently, we developed Tersoff style parameterizations of such potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current, in contrast to the more typical monotonic decay seen in monoatomic materials such as Silicon, for example. Results at room temperature and at elevated temperatures will be reported.

Lawson, John W.↗
NASA NTRS2012

Lattice Thermal Conductivity of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2 from Atomistic Simulations

Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 have a number of properties that make them attractive for applications in extreme environments. One such property is their high thermal conductivity. Computational modeling of these materials will facilitate understanding of fundamental mechanisms, elucidate structure-property relationships, and ultimately accelerate the materials design cycle. Progress in computational modeling of UHTCs however has been limited in part due to the absence of suitable interatomic potentials. Recently, we developed Tersoff style parameterizations of such potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current, in contrast to the more typical monotonic decay seen in monoatomic materials such as Silicon, for example. Results at room temperature and at elevated temperatures will be reported.

Lawson, John W.↗
NASA NTRS2022

Liquid crystals of neat boron nitride nanotubes and their assembly into ordered macroscopic materials

Boron nitride nanotubes (BNNTs) have attracted attention for their predicted extraordinary properties; yet, challenges in synthesis and processing have stifled progress on macroscopic materials. Recent advances have led to the production of highly pure BNNTs. Here we report that neat BNNTs dissolve in chlorosulfonic acid (CSA) and form birefringent liquid crystal domains at concentrations above 170 ppmw. These tactoidal domains merge into millimeter- sized regions upon light sonication in capillaries. Cryogenic electron microscopy directly shows nematic alignment of BNNTs in solution. BNNT liquid crystals can be processed into aligned films and extruded into neat BNNT fibers. This study of nematic liquid crystals of BNNTs demonstrates their ability to form macroscopic materials to be used in high- performance applications.

Cedric J. Simonsen Ginestra↗
NASA NTRSDate not supplied

The Porous Microstructure Analysis (PuMA) software

The open-source Porous Microstructure Analysis (PuMA) software was created to offer an efficient framework for determining material properties from 3D microstructures. Its development was inspired by progress in X-ray microtomography, an imaging technology that captures the internal structure of materials in 3D, and even in a 4D temporal context. Over recent years, this method has transformed the domain of materials science due to its capability to non-destructively examine material microstructures while presenting digital data about their geometrical details. It has provided insights into materials relevant to several NASA missions, including heatshields, parachute fabrics, meteorites, and other advanced composites. PuMA, in its current version 3, delivers an array of features, spanning from basic geometric insights of a microstructure to intricate anisotropic thermo-elastic and chemical behavior. Specifically, the software evaluates morphological attributes (specific surface area, volume fractions, mean intercept lengths, orientation) and physical characteristics (conductivity, elasticity, permeability, and tortuosity). Additionally, it can model material degradation processes, such as oxidation and surface chemistry interactions. The software can generate synthetic microstructures, from straightforward geometrical designs to intricate woven and non-woven geometries. Coupling material generation and characterization enables parametric studies and sensitivity analysis to optimize the microstructural performance and inform design decisions and reliability assessment based on uncertainty quantification. A recent addition to PuMA includes the TomoSAM plugin, devised to incorporate the cutting-edge Segment Anything Model (SAM) into our image segmentation workflow. SAM is a promptable deep learning model that can identify objects and create image masks in a zero-shot manner, based only on a few user clicks. The synergy between these tools aids in the segmentation of complex 3D datasets from tomography and other imaging techniques, which would otherwise require a laborious manual segmentation process.

Tomography↗
NASA NTRSDate not supplied

Machine Learning Application for Improving Cloud Detection and Phase Determination Over Sunglint Regions for Geostationary Satellites

Cloud detection and phase determination over sunglint regions has been a challenge, especially for geostationary (GEO) satellites. Sunglint is observed when the sunlight specular reflection is at the same viewing angle of the satellite sensor. This intense reflection in the visible channels (VIS) is often comparable to that from optically thick clouds. It also contaminates the shortwave infrared channels (SWIR). Consequently, VIS and SWIR channels become less useful - or not useful- when they are saturated, hampering the detection of cloudy and clear-sky pixels. Sunglint contamination happens frequently and exists nearly in every daytime GEO full disk satellite images. However, sunglint intensity and region are difficult to model due to variable viewing geometry and ocean surface conditions. Moreover, existing physical models do not meet the accuracy required for operational GEO satellite cloud detection. We developed a machine learning algorithm to improve cloud detection in sunglint conditions for the NASA Langley’s Satellite ClOud and radiation Property retrieval System (SatCORPS). This poster presents our recent progress in the algorithm development, validation and applications. The algorithm is validated using collocated SatCORPS GOES-East and GOES-West cloud products. We demonstrate that the machine learning cloud detection in sunglint regions is superior to the traditional approach by improving temporal consistency between sunglint and non-sunglint conditions.

Machine Learning, Cloud detection, Sunglint, SatCO↗
DOE OSTI2023

Targeting tissues via dynamic human systems modeling in generative design

Drug discovery is a complex, costly process with high failure rates. A successful drug should bind to a target, be deliverable to an intended site of activity, and promote a desired pharmacological effect without causing toxicity. Typically, these factors are evaluated in series over the course of a pipeline where the number of candidates is sequentially whittled down from a very large initial pool. One promise of AI-driven discovery is the opportunity to evaluate multiple facets of drug performance in parallel. However, despite ML-driven advancements, current models for pharmacological property prediction are exclusively trained to predict molecular properties, ignoring important, dynamic biodistribution and bioactivity effects. Here, we present our progress towards incorporating quantitative systems physiology models into an AI-enabled drug design and molecular generation pipeline. Within a genetic algorithm, we include human-relevant physiologically based pharmacokinetic (PBPK) models. These PBPK models leverage properties that are predicted by a fine-tuned molecular language model. Together, these models will aid in capturing the mapping between molecules and therapeutic outcomes that is necessary to accelerate the drug discovery process.

Fox, Zach↗
NASA NTRS2016

Summary Report for the Technical Interchange Meeting on Development of Baseline Material Properties and Design Guidelines for In-Space Manufacturing Activities

NASA Marshall Space Flight Center (MSFC) and the Agency as a whole are currently engaged in a number of in-space manufacturing (ISM) activities that have the potential to reduce launch costs, enhance crew safety, and provide the capabilities needed to undertake long-duration spaceflight. The recent 3D Printing in Zero-G experiment conducted on board the International Space Station (ISS) demonstrated that parts of acrylonitrile butadiene styrene (ABS) plastic can be manufactured in microgravity using fused deposition modeling (FDM). This project represents the beginning of the development of a capability that is critical to future NASA missions. Current and future ISM activities will require the development of baseline material properties to facilitate design, analysis, and certification of materials manufactured using in-space techniques. The purpose of this technical interchange meeting (TIM) was to bring together MSFC practitioners and experts in materials characterization and development of baseline material properties for emerging technologies to advise the ISM team as we progress toward the development of material design values, standards, and acceptance criteria for materials manufactured in space. The overall objective of the TIM was to leverage MSFC's shared experiences and collective knowledge in advanced manufacturing and materials development to construct a path forward for the establishment of baseline material properties, standards development, and certification activities related to ISM. Participants were asked to help identify research and development activities that will (1) accelerate acceptance and adoption of ISM techniques among the aerospace design community; (2) benefit future NASA programs, commercial technology developments, and national needs; and (3) provide opportunities and avenues for further collaboration.

Prater, T. J.↗
DOE OSTI2018

Fundamental Physics with Electroweak Probes of Nuclei

The past decade has witnessed tremendous progress in the theoretical and computational tools that produce our understanding of nuclei. A number of microscopic calculations of nuclear electroweak structure and reactions have successfully explained the available experimental data, yielding a complex picture of the way nuclei interact with electroweak probes. This achievement is of great interest from the pure nuclear-physics point of view. But it is of much broader interest too, because the level of accuracy and confidence reached by these calculations opens up the concrete possibility of using nuclei to address open questions in other sub-fields of physics, such as, understanding the fundamental properties of neutrinos, or the particle nature of dark matter. In this talk, I will review recent progress in microscopic calculations of electroweak properties of light nuclei, including electromagnetic moments, form factors and transitions in between lowlying nuclear states along with preliminary studies for single- and double-beta decay rates. As a result, I will illustrate the key dynamical features required to explain the available experimental data, and, if time permits, present a novel framework to calculate neutrino-nucleus cross sections for A > 12 nuclei.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Data Quality of Salt Property Measurements

Data quality is a key element to assessing technical uncertainties in property values of salt mixtures that are pivotal in molten salt reactor (MSR) design and safety assessments under both normal operating conditions and accident scenarios. Key properties for the salt mixtures being evaluated for use in MSRs have not been measured and the few values for relevant salt compositions available in the literature are inconsistent and not suitable for use in licensing. The applications of established techniques commonly used for property measurements to molten salts are still experimental in nature and vetted consensus standards are not yet available. Work is in progress to develop and standardize methods through DOE and commercially funded projects. The quality of measured property values limits the current ability to reliably design equipment and model normal MSR operation and the effects of operational upsets. Insights from experimental measurements pertinent to reducing technical uncertainty for regulatory development are summarized in this report. Quality controls are recommended for key properties based on the mathematical calculations used to derive property values and methods used to measure experimental values and salt produced for use in the measurements.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2018

On-Line Monitoring and Real-Time Characterization of Low Level Waste and Off-Gas Condensate Samples using Raman Spectroscopy

The demand for Hanford waste property analysis is expected to significantly increase as the U.S. Department of Energy River Protection Project progresses toward transferring waste to the Hanford Waste Treatment and Immobilization Plant. The analysis of waste includes chemical, radionuclide, and physical property characterizations, with the goal of achieving safe/informed transfer and processing. Waste sampling followed by offline laboratory analysis is the current baseline analytical approach. The addition of field-deployed/in situ instruments has the potential to provide improvements and benefits over offline analysis in the areas of 1) Worker Safety: by reducing the need for sampling and thereby reducing the need for worker interaction with waste during sample handling; 2) Operational Efficiency: by reducing analysis turnaround times and offsetting demand on analytical laboratories; and 3) Accuracy: continuous analysis of a flowing waste stream allows cumulative results to be produced for the batch, which is likely to be more representative than discrete samples of batch properties. This paper describes the development and application of an online monitor to provide chemical characterizations; specifically, Raman spectroscopy is utilized to identify and quantify tank components. Accurate quantification is achieved through the use of chemometric analysis, which can be configured to provide real-time analysis in field deployment settings.

Lines, Amanda M.↗
DOE OSTI2019

On-Line Monitoring and Real-Time Characterization of Low Level Waste and Off-Gas Condensate Samples using Raman Spectroscopy - 19274

The demand for Hanford waste property analysis is expected to significantly increase as the U.S. Department of Energy River Protection Project progresses toward transferring waste to the Hanford Waste Treatment and Immobilization Plant. The analysis of waste includes chemical, radionuclide, and physical property characterizations, with the goal of achieving safe/informed transfer and processing. Waste sampling followed by offline laboratory analysis is the current baseline analytical approach. The addition of field-deployed/in situ instruments has the potential to provide improvements and benefits over offline analysis in the areas of 1) Worker Safety: by reducing the need for sampling and thereby reducing the need for worker interaction with waste during sample handling; 2) Operational Efficiency: by reducing analysis turnaround times and offsetting demand on analytical laboratories; and 3) Accuracy: continuous analysis of a flowing waste stream allows cumulative results to be produced for the batch, which is more representative than discrete samples of batch properties. This paper describes the development and application of an online monitor to provide chemical characterizations; specifically, Raman spectroscopy is utilized to identify and quantify tank components. Accurate quantification is achieved through the use of chemometric analysis, which can be configured to provide real-time analysis in field deployment settings. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Conducting polymer-based electrochemical sensors: Progress, challenges, and future perspectives

Conducting polymers are promising due to their unique properties, such as excellent electrical and optical properties, physical and chemical stability, high conductivity, and effective redox properties with high-temperature stability and biocompatibility. Due to these properties, conducting polymers are useful in diverse applications like sensors, batteries, oil industries, biosensors, biomedicines, catalysis, cancer treatment, etc. This review article aims to discuss the recent trends and analysis of conducting polymer-based electrochemical sensors in diverse areas with all required sensor characteristics, such as the derived limit of detection, utilized techniques for the sensing analysis and derived linear dynamic range with the stability of the sensors. Conducting polymers and their nanocomposites-based electrochemical sensors have demonstrated exceptional capabilities towards detecting various biomolecules, heavy metals, pesticides, and viruses like SARS-COV-2. Incorporation of redox mediators, use of conducting hydrogels, and molecular imprinting are promising strategies for better performance of the derived sensor. The article has demonstrated the existing challenges and limitations and provided solutions in the field. In the future, conducting polymers-based electrochemical sensors can be utilized in wearable sensors and integrated with IoT devices for better reach in real-time applications. They can also be made more accessible with precise control and data output by following specific methodologies. Utilizing green and sustainable conducting polymers can be crucial in advancing eco-friendly practices in the future. Conducting polymer-based electrochemical sensors has affectivity in neurochemical and pathogen sensing, which is essential for brain function and mental health.

42 ENGINEERING↗
DOE OSTI2018

Borophene as a prototype for synthetic 2D materials development

The synthesis of 2D materials with no analogous bulk layered allotropes promises a substantial breadth of physical and chemical properties through the diverse structural options afforded by substrate-dependent epitaxy. However, despite the joint theoretical and experimental efforts to guide materials discovery, successful demonstrations of synthetic 2D materials have been rare. The recent synthesis of 2D boron polymorphs (that is, borophene) provides a notable example of such success. In this Perspective, we discuss recent progress and future opportunities for borophene research. Borophene combines unique mechanical properties with anisotropic metallicity, which complements the canon of conventional 2D materials. The multi-centre characteristics of boron-boron bonding lead to the formation of configurationally varied, vacancy-mediated structural motifs, providing unprecedented diversity in a mono-elemental 2D system with potential for electronic applications, chemical functionalization, materials synthesis and complex heterostructures. As a result, with its foundations in computationally guided synthesis, borophene can serve as a prototype for ongoing efforts to discover and exploit synthetic 2D materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Structural chirality and related properties in periodic inorganic solids: review and perspectives

Abstract Chirality refers to the asymmetry of objects that cannot be superimposed on their mirror image. It is a concept that exists in various scientific fields and has profound consequences. Although these are perhaps most widely recognized within biology, chemistry, and pharmacology, recent advances in chiral phonons, topological systems, crystal enantiomorphic materials, and magneto-chiral materials have brought this topic to the forefront of condensed matter physics research. Our review discusses the symmetry requirements and the features associated with structural chirality in inorganic materials. This allows us to explore the nature of phase transitions in these systems, the coupling between order parameters, and their impact on the material’s physical properties. We highlight essential contributions to the field, particularly recent progress in the study of chiral phonons, altermagnetism, magnetochirality between others. Despite the rarity of naturally occurring inorganic chiral crystals, this review also highlights a significant knowledge gap, presenting challenges and opportunities for structural chirality mostly at the fundamental level, e.g. chiral displacive phase transitions, possibilities of tuning and switching structural chirality by external means (electric, magnetic, or strain fields), whether chirality could be an independent order parameter, and whether structural chirality could be quantified, etc. Beyond simply summarizing this field of research, this review aims to inspire further research in materials science by addressing future challenges, encouraging the exploration of chirality beyond traditional boundaries, and seeking the development of innovative materials with superior or new properties.

Bousquet, Eric (ORCID:0000000292903463)↗
NASA NTRS1989

Incorporation of a progressive failure analysis method in the CSM testbed software system

Analysis of the postbuckling behavior of composite shell structures pose many difficult and challenging problems in the field of structural mechanics. Current analysis methods perform well for most cases in predicting the postbuckling response of undamaged components. To predict component behavior accurately at higher load levels, the analysis must include the effects of local material failures. The CSM testbed software system is a highly modular structural analysis system currently under development at Langley Research Center. One of the primary goals of the CSM testbed is to provide a software environment for the development of advanced structural analysis methods and modern numerical methods which will exploit advanced computer architecture such as parallel-vector processors. Development of a progressive failure analysis method consists of the design and implementation of a processor which will perform the ply-level progressive failure analysis and the development of a geometrically nonlinear analysis procedure which incorporates the progressive failure processor. Regarding the development of the progressive failure processor, two components are required: failure criteria and a degradation model. For the initial implementation, the failure criteria of Hashin will be used. For a matrix failure which typically indicates the development of transverse matrix cracks, the ply properties will be degraded. Work to date includes the design of the progressive failure analysis processor and initial plans for the controlling geometrically nonlinear analysis procedure. The implementation of the progressive failure analysis has begun. Access to the model database and the Hashin failure criteria are completed. Work is in progress on the input/output operations for the processor related data and the finite element model updating procedures. In total the progressive failure processor is approximately one-third complete.

Arenburg, Robert T.↗