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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Integrating fiber optic sensors into metallic components for sensing in harsh environments

The integration of fiber optic sensors into high-temperature materials is critical for real-time monitoring and autonomous operation of engineering systems. This study demonstrated a spark plasma sintering (SPS)-assisted embedding process for integrating sapphire fiber optic sensors into stainless steel components during part fabrication. Optical fibers were encapsulated in stainless steel 316L powders which were sintered at different fabrication conditions using SPS to investigate the effects of sintering parameters on the embedment. Measurements of optical transmittance, combined with microstructural analysis (X-ray computed tomography and scanning electron microscopy) and mechanical testing (tensile and microhardness), were conducted to examine the fiber functionality, fiber–matrix bonding quality, and properties of the sintered materials. Here, the results show that under suitable fabrication conditions, intact optical fibers can be encapsulated in highly-densified (>98 % relative density) stainless steel components. These conditions also led to a good bond at the fiber–matrix interface with micron-sized material interdiffusion across the interface. The sintering parameters were observed to affect fiber optical attenuation, where high temperature, pressure, and hold time during SPS enhanced fiber–matrix bonding and adversely affected optical transmission. Tensile testing confirmed the superior tensile strength and ductility of the matrix fabricated by SPS. Furthermore, the materials exhibited limited strength reduction (~70 MPa) upon the integration of fibers. This study demonstrates the effectiveness of SPS for fiber-material integration for high-temperature applications.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Toward supplying food, energy, and water demand: Integrated solar desalination process synthesis with power and hydrogen coproduction

The increase in population coupled with rising per capita income and associated change in consumption habits will put unprecedented stress on food, energy and water (FEW) resources. Sustainable and reliable fresh water supply is central for life and also for all sectors that support our existence. Uncertainty on water security prompted interest in investigation of renewable energy driven desalination processes. One particularly promising option is to produce fresh water from the two most abundant resources on earth: solar energy and seawater. In this study, using Solar Electricity, Water, Food and Chemical (SEWFAC) process synthesis concept, we explore and identify synergistic integration alternatives of multi stage flash desalination, solar thermal power, and hydrogen production processes. The promising options have been analyzed by detailed process simulation and optimization using an integrated Aspen Plus and MATLAB modeling environment. The proposed process designs can meet the water and electricity demand with rather high conversion efficiencies. Furthermore, integration of solar hydrogen production and hydrogen-fired power plant can enable continuous production of fresh water and electricity in solar-rich water-poor regions. In addition to other metrics, we have evaluated the performance of the desalination process from power point of view with a new metric, Electricity Equivalent Water (EEW) to demonstrate the marginal energy penalty of desalination. Integration of thermal desalination processes with electricity and hydrogen production is a synergistic alliance and can play a pivotal role in approaching FEW nexus.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2015

Evolution of plant virus movement proteins from the 30K superfamily and of their homologs integrated in plant genomes

Homologs of Tobacco mosaic virus 30K cell-to-cell movement protein are encoded by diverse plant viruses. Mechanisms of action and evolutionary origins of these proteins remain obscure. We expand the picture of conservation and evolution of the 30K proteins, producing sequence alignment of the 30K superfamily with the broadest phylogenetic coverage thus far and illuminating structural features of the core all-beta fold of these proteins. Integrated copies of pararetrovirus 30K movement genes are prevalent in euphyllophytes, with at least one copy intact in nearly every examined species, and mRNAs detected for most of them. Sequence analysis suggests repeated integrations, pseudogenizations, and positive selection in those provirus genes. An unannotated 30K-superfamily gene in Arabidopsis thaliana genome is likely expressed as a fusion with the At1g37113 transcript. This molecular background of endopararetrovirus gene products in plants may change our view of virus infection and pathogenesis, and perhaps of cellular homeostasis in the hosts. - Highlights: • Sequence region shared by plant virus “30K” movement proteins has an all-beta fold. • Most euphyllophyte genomes contain integrated copies of pararetroviruses. • These integrated virus genomes often include intact movement protein genes. • Molecular evidence suggests that these “30K” genes may be selected for function.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Adsorbate Partition Functions via Phase Space Integration: Quantifying the Effect of Translational Anharmonicity on Thermodynamic Properties

A new method for computing anharmonic thermophysical properties for adsorbates on metal surfaces is presented. Classical Monte Carlo phase space integration is performed to calculate the partition function for the motion of a hydrogen atom on Cu(111). Here, a minima-preserving neural network potential energy surface is used within the integration routine. Two different sampling schema for generating the training data are presented, and two different density functionals are used. The results are benchmarked against direct state counting results by using discrete variable representation. The phase space integration results are in excellent quantitative agreement with the benchmark results. Additionally, both the discrete variable representation and the phase space integration results confirm that the motion of H on Cu(111) is highly anharmonic. The results were applied to calculate the free energy of dissociative adsorption of H 2 and the resulting Langmuir isotherms at 400, 800, and 1200 K in a partial pressure range of 0–1 bar. It shows that the anharmonic effects lead to significantly higher predicted surface site fractions of hydrogen.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Optimization of Desalination Systems with Detailed Water Chemistry through Integration of Reaktoro in WaterTAP

Chemistry predictions are critical for an accurate estimation of performance and costs in desalination process models, which allows for the estimation of the value of new technologies and the viability of treating new water sources. Herein, we present how an implicit function formulation can be used to integrate the chemical modeling package, Reaktoro, into the techno-economic assessment and modeling platform, WaterTAP. This approach resolves the critical issues of integrating large-scale thermodynamic models and databases into equation-oriented process models while allowing more flexibility relative to previously presented surrogate-based methods. We describe how this integration into Pyomo and WaterTAP models is implemented and used through the open-source package Reaktoro-PSE . We first validate this integration approach by performing optimization on a previously presented desalination treatment train with softening and acid addition as the pretreatment steps. Then, to demonstrate the value of this approach, we extend the cost-optimization problem to include the simultaneous addition of lime and soda ash for softening, and HCl and H 2 SO 4 in the acidification steps. Finally, we were able to confirm the previously established results that were obtained by using surrogate models and demonstrate that the implicit function approach enables exploration of different feedwater compositions and a larger number of chemicals and their combinations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

A Fully Integrated and Self-Powered Smartwatch for Continuous Sweat Glucose Monitoring

Wearable devices for health monitoring and fitness management have foreseen a rapidly expanding market, especially those for noninvasive and continuous measurements with real-time display that provide practical convenience and eliminated safety/infection risks. In this research, a self-powered and fully integrated smartwatch that consists of flexible photovoltaic cells and rechargeable batteries in the forms of a “watch strap”, electrochemical glucose sensors, customized circuits, and display units integrated into a “dial” platform is successfully fabricated for real-time and continuous monitoring of sweat glucose levels. The functionality of the smartwatch, including sweat glucose sensing, signal processing, and display, can be supported with the harvested/converted solar energy without external charging devices. The Zn-MnO 2 batteries serve as intermediate energy storage units and the utilization of aqueous electrolytes eliminated safety concerns for batteries, which is critical for wearable devices. Such a wearable system in a smartwatch fashion realizes integration of energy modules with self-powered capability, electrochemical sensors for noninvasive glucose monitoring, and in situ and real-time signal processing/display in a single platform for the first time. The as-fabricated fully integrated and self-powered smartwatch also provides a promising protocol for statistical study and clinical investigation to reveal correlations between sweat compositions and human body dynamics.

47 OTHER INSTRUMENTATION↗
DOE OSTI2013

A Fully Integrated Nanosystem of Semiconductor Nanowires for Direct Solar Water Splitting

Artificial photosynthesis, the biomimetic approach to converting sunlight?s energy directly into chemical fuels, aims to imitate nature by using an integrated system of nanostructures, each of which plays a specific role in the sunlight-to-fuel conversion process. Here we describe a fully integrated system of nanoscale photoelectrodes assembled from inorganic nanowires for direct solar water splitting. Similar to the photosynthetic system in a chloroplast, the artificial photosynthetic system comprises two semiconductor light absorbers with large surface area, an interfacial layer for charge transport, and spatially separated cocatalysts to facilitate the water reduction and oxidation. Under simulated sunlight, a 0.12percent solar-to-fuel conversion efficiency is achieved, which is comparable to that of natural photosynthesis. The result demonstrates the possibility of integrating material components into a functional system that mimics the nanoscopic integration in chloroplasts. It also provides a conceptual blueprint of modular design that allows incorporation of newly discovered components for improved performance.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Earth and Space Science Informatics Perspectives on Integrated, Coordinated, Open, Networked (ICON) Science

Abstract This article is composed of three independent commentaries about the state of Integrated, Coordinated, Open, Networked (ICON) principles (Goldman, et al., 2021b, https://doi.org/10.1029/2021EO153180 ) in Earth and Space Science Informatics (ESSI) and includes discussion on the opportunities and challenges of adopting them. Each commentary focuses on a different topic: (Section 2) Global collaboration, cyberinfrastructure, and data sharing; (Section 3) Machine learning for multiscale modeling; (Section 4) Aerial and satellite remote sensing for advancing Earth system model development by integrating field and ancillary data. ESSI addresses data management practices, computation and analysis, and hardware and software infrastructure. Our role in ICON science therefore involves collaborative work to assess, design, implement, and promote practices and tools that enable effective data management, discovery, integration, and reuse for interdisciplinary work in Earth and space science disciplines. Networks of diverse people with expertise across Earth, space, and data science disciplines are essential for efficient and ethical exchanges of findable, accessible, interoperable, and reusable (FAIR) research products and practices. Our challenge is then to coordinate the development of standards, curation practices, and tools that enable integrating and reusing multiple data types, software, multi‐scale models, and machine learning approaches across disciplines in a way that is as open and/or FAIR as ethically possible. This is a major endeavor that could greatly increase the pace and potential of interdisciplinary scientific discovery.

58 GEOSCIENCES↗
DOE OSTI2023

Chip-integrated metasurface full-Stokes polarimetric imaging sensor

Abstract Polarimetric imaging has a wide range of applications for uncovering features invisible to human eyes and conventional imaging sensors. Chip-integrated, fast, cost-effective, and accurate full-Stokes polarimetric imaging sensors are highly desirable in many applications, which, however, remain elusive due to fundamental material limitations. Here we present a chip-integrated Meta surface-based Full-Stokes Polar imetric Im aging sensor (MetaPolarIm) realized by integrating an ultrathin (~600 nm) metasurface polarization filter array (MPFA) onto a visible imaging sensor with CMOS compatible fabrication processes. The MPFA is featured with broadband dielectric-metal hybrid chiral metasurfaces and double-layer nanograting polarizers. This chip-integrated polarimetric imaging sensor enables single-shot full-Stokes imaging (speed limited by the CMOS imager) with the most compact form factor, records high measurement accuracy, dual-color operation (green and red) and a field of view up to 40 degrees. MetaPolarIm holds great promise to enable transformative applications in autonomous vision, industry inspection, space exploration, medical imaging and diagnosis.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Collection of fluorescence from an ion using trap-integrated photonics

Spontaneously emitted photons are entangled with the electronic and nuclear degrees of freedom of the emitting atom, so interference and measurement of these photons can entangle separate matter-based quantum systems as a resource for quantum information processing. Since confinement in a single-mode facilitates the photon interference needed for generating entanglement, the dipole emission patterns relevant in spontaneous emission present a mode-matching challenge. Current demonstrations rely on bulk photon-collection and manipulation optics that suffer from large component size and system-to-system variability—factors that impede scaling to the large numbers of entangled pairs needed for quantum information processing. To address these limitations, we demonstrate a collection method that enables passive phase stability, straightforward photonic manipulation, and intrinsic reproducibility. Specifically, we engineer a waveguide-integrated grating to couple photons emitted from a trapped ion into a single optical mode within a microfabricated ion-trap chip. Using the integrated collection optic, we characterize the collection efficiency, image the ion, and detect the ion’s quantum state. The integrated optic covers 2.18% of the solid angle and collects 1.97 ± 0.3% of the spontaneously emitted light incident on the grating for a total collection efficiency of 0.043% into a single-mode waveguide. This proof-of-principle demonstration lays the foundation for leveraging the inherent stability and reproducibility of integrated photonics to create, manipulate, and measure multipartite quantum states in arrays of quantum emitters.

Optical physics↗
DOE OSTI2022

sciCAN: single-cell chromatin accessibility and gene expression data integration via cycle-consistent adversarial network

The boom in single-cell technologies has brought a surge of high dimensional data that come from different sources and represent cellular systems from different views. With advances in these single-cell technologies, integrating single-cell data across modalities arises as a new computational challenge. Here, we present an adversarial approach, sciCAN, to integrate single-cell chromatin accessibility and gene expression data in an unsupervised manner. We benchmarked sciCAN with 5 existing methods in 5 scATAC-seq/scRNA-seq datasets, and we demonstrated that our method dealt with data integration with consistent performance across datasets and better balance of mutual transferring between modalities than the other 5 existing methods. We further applied sciCAN to 10X Multiome data and confirmed that the integrated representation preserves biological relationships within the hematopoietic hierarchy. Finally, we investigated CRISPR-perturbed single-cell K562 ATAC-seq and RNA-seq data to identify cells with related responses to different perturbations in these different modalities.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Large-scale integration of artificial atoms in hybrid photonic circuits

A central challenge in developing quantum computers and long-range quantum networks is the distribution of entanglement across many individually controllable qubits. Colour centres in diamond have emerged as leading solid-state ‘artificial atom’ qubits because they enable on-demand remote entanglement, coherent control of over ten ancillae qubits with minute-long coherence times and memory-enhanced quantum communication. A critical next step is to integrate large numbers of artificial atoms with photonic architectures to enable large-scale quantum information processing systems. So far, these efforts have been stymied by qubit inhomogeneities, low device yield and complex device requirements. Here we introduce a process for the high-yield heterogeneous integration of ‘quantum microchiplets’—diamond waveguide arrays containing highly coherent colour centres—on a photonic integrated circuit (PIC). We use this process to realize a 128-channel, defect-free array of germanium-vacancy and silicon-vacancy colour centres in an aluminium nitride PIC. Photoluminescence spectroscopy reveals long-term, stable and narrow average optical linewidths of 54 megahertz (146 megahertz) for germanium-vacancy (silicon-vacancy) emitters, close to the lifetime-limited linewidth of 32 megahertz (93 megahertz). We show that inhomogeneities of individual colour centre optical transitions can be compensated in situ by integrated tuning over 50 gigahertz without linewidth degradation. The ability to assemble large numbers of nearly indistinguishable and tunable artificial atoms into phase-stable PICs marks a key step towards multiplexed quantum repeaters and general-purpose quantum processors

36 MATERIALS SCIENCE↗
DOE OSTI2019

Integrating machine learning and multiscale modeling—perspectives, challenges, and opportunities in the biological, biomedical, and behavioral sciences

Fueled by breakthrough technology developments, the biological, biomedical, and behavioral sciences are now collecting more data than ever before. There is a critical need for time- and cost-efficient strategies to analyze and interpret these data to advance human health. The recent rise of machine learning as a powerful technique to integrate multimodality, multifidelity data, and reveal correlations between intertwined phenomena presents a special opportunityin this regard. However, classical machine learning techniques often ignore the fundamental laws of physics and result in ill-posed problems or non-physical solutions. Multiscale modeling is a successful strategy to integrate multiscale, multiphysics data and uncover mechanisms that explain the emergence of function. However, multiscale modeling alone often fails to efficiently combine large data sets from different sources and different levels of resolution. Here we demonstrate that machine learning and multiscale modeling can naturally complement each other to create robust predictive models that integrate the underlying physics to manage ill-posed problems and explore massive design spaces. We critically review the current literature, highlight applications and opportunities, address open questions, and discuss potential challenges and limitations in four overarching topical areas: ordinary differential equations, partial differential equations, data-driven approaches, and theory-driven approaches. Towards these goals, we leverage expertise in applied mathematics, computer science, computational biology, biophysics, biomechanics, engineering mechanics, experimentation, and medicine. Our multidisciplinary perspective suggests that integrating machine learning and multiscale modeling can provide new insights into disease mechanisms, help identify new targets and treatment strategies, and inform decision making for the benefit of human health.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

One-pot integrated biofuel production using low-cost biocompatible protic ionic liquids

The transformation of biomass into liquid fuels is of great importance. Previous work has demonstrated the capability of specific ionic liquids (ILs), such as 1-ethyl-3-methylimidazolium acetate ([C(2)C(1)Im][OAc]) and cholinium lysinate ([Ch][Lys]), to be effective biomass pretreatment solvents. Using these ILs for an integrated biomass-to-biofuel configuration is still challenging due to a significant water-wash related to the high toxicity of [C(2)C(1)Im][OAc] and pH adjustment prior to saccharification for the highly basic [Ch][Lys]. In this work, we demonstrate, for the first time, that a one-pot integrated biofuel production is enabled by a low cost (similar to$1 per kg) and biocompatible protic IL (PIL), ethanolamine acetate, without pH adjustments, water-wash and solid-liquid separations. After pretreatment, the whole slurry is directly used for simultaneous saccharification and fermentation (SSF) with commercial enzyme cocktails and wild type yeast strains, generating 70% of the theoretical ethanol yield (based on switchgrass). The structure-performance relationships of PILs in terms of lignin removal, net basicity, and pH value are systematically studied. A technoeconomic analysis (TEA) revealed that an integrated biorefinery concept based on this PIL process could potentially reduce the minimum ethanol selling price by more than 40% compared to scenarios that require pH adjustment prior to SSF. Improvement of the economic performance will be made by reducing the dilution and enzyme loading during SSF as identified by TEA. This study demonstrates the impact of a biocompatible IL in terms of process optimization and conversion efficiency, and opens up avenues for realizing an IL based efficiently integrated biomass conversion technology.

(ECO)TOXICITY↗
DOE OSTI2023

Ultrathin electron and proton-conducting membranes for nanoscale integrated artificial photosystems

Reducing the thickness of separation membranes without compromising their selectivity and robustness is the most effective way of maximizing the areal conductivity. This is especially important for the integration of visible light-driven water oxidation and carbon dioxide (or proton) reduction into a complete artificial photosystem on the shortest possible length scale – the nanoscale – because of the efficiency advantages over macroscale photosystems. In addition to their excellent separation property, ultrathin membranes of 10 nm thickness or less need to exhibit sufficient electrical and proton conductivity in order for the photocatalytic rates to keep up with the photon flux at maximum solar intensity. Furher, two materials, graphene and amorphous silica with embedded molecular wires, have emerged as promising ultrathin membranes for the development of nanoscale integrated solar-fuel systems. Moreover, electrically conducting metal–organic or covalent–organic frameworks can be used to fabricate high surface area-supports that enable the use of molecular catalysts and/or light absorbers at an adequate areal density for nanoscale integration with graphene membranes. Following an overview of the electron and proton conductivity of these ultrathin materials and recent examples of photoelectrocatalytic applications that take advantage of some but not all the properties that constitute a complete functional membrane, the status and future opportunities for complete nanoscale integrated photosystems featuring an ultrathin membrane are discussed.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Liouvillian integrability of gravitating static isothermal fluid spheres

We examine the integrability properties of the Einstein field equations for static, spherically symmetric fluid spheres, complemented with an isothermal equation of state, ρ = np. In this case, Einstein's equations can be reduced to a nonlinear, autonomous second order ordinary differential equation (ODE) for m/R (m is the mass inside the radius R) that has been solved analytically only for n = -1 and n = -3, yielding the cosmological solutions by De Sitter and Einstein, respectively, and for n = -5, case for which the solution can be derived from the De Sitter's one using a symmetry of Einstein's equations. The solutions for these three cases are of Liouvillian type, since they can be expressed in terms of elementary functions. Here, we address the question of whether Liouvillian solutions can be obtained for other values of n. To do so, we transform the second order equation into an equivalent autonomous Lotka–Volterra quadratic polynomial differential system in R² and characterize the Liouvillian integrability of this system using Darboux theory. We find that the Lotka–Volterra system possesses Liouvillian first integrals for n = -1, -3, -5, which descend from the existence of invariant algebraic curves of degree one, and for n = -6, a new solvable case, associated to an invariant algebraic curve of higher degree (second). For any other value of n, eventual first integrals of the Lotka–Volterra system, and consequently of the second order ODE for the mass function must be non-Liouvillian. This makes the existence of other solutions of the isothermal fluid sphere problem with a Liouvillian metric quite unlikely.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Sequential lateral solidification of silicon thin films on low-k dielectrics for low temperature integration

We present the excimer laser crystallization of amorphous silicon on a low dielectric constant (low-k) insulator for very large scale integration monolithic 3D integration and demonstrate that low dielectric constant materials are suitable substrates for 3D integration through laser crystallization of silicon thin films. We crystallized 100 nm amorphous silicon on top of SiO{sub 2} and SiCOH (low-k) dielectrics, at different material thicknesses (1 μm, 0.75 μm, and 0.5 μm). The amorphous silicon crystallization on low-k dielectric requires 35% less laser energy than on an SiO{sub 2} dielectric. This difference is related to the thermal conductivity of the two materials, in agreement with one dimensional simulations of the crystallization process. We analyzed the morphology of the material through defect-enhanced microscopy, Raman spectroscopy, and X-ray diffraction analysis. SEM micrographs show that polycrystalline silicon is characterized by micron-long grains with an average width of 543 nm for the SiO{sub 2} sample and 570 nm for the low-k samples. Comparison of the Raman spectra does not show any major difference in film quality for the two different dielectrics, and polycrystalline silicon peaks are closely placed around 517 cm{sup −1}. From X-ray diffraction analysis, the material crystallized on SiO{sub 2} shows a preferential (111) crystal orientation. In the SiCOH case, the 111 peak strength decreases dramatically and samples do not show preferential crystal orientation. A 1D finite element method simulation of the crystallization process on a back end of line structure shows that copper (Cu) damascene interconnects reach a temperature of 70 °C or lower with a 0.5 μm dielectric layer between the Cu and the molten Si layer, a favorable condition for monolithic 3D integration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Experimental triplet and quadruplet fluctuation densities and spatial distribution function integrals for pure liquids

Fluctuation solution theory has provided an alternative view of many liquid mixture properties in terms of particle number fluctuations. The particle number fluctuations can also be related to integrals of the corresponding two body distribution functions between molecular pairs in order to provide a more physical picture of solution behavior and molecule affinities. Here, we extend this type of approach to provide expressions for higher order triplet and quadruplet fluctuations, and thereby integrals over the corresponding distribution functions, all of which can be obtained from available experimental thermodynamic data. The fluctuations and integrals are then determined using the International Association for the Properties of Water and Steam Formulation 1995 (IAPWS-95) equation of state for the liquid phase of pure water. The results indicate small, but significant, deviations from a Gaussian distribution for the molecules in this system. The pressure and temperature dependence of the fluctuations and integrals, as well as the limiting behavior as one approaches both the triple point and the critical point, are also examined.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗