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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Resilience in an Age of Increasing Electrification

The purpose of this paper is to outline considerations of global electrification trends that include the resultant system-wide and nation-wide impacts. How we incorporate resilience into the electrification plans that transition a nation from conventional energy sources to secure clean energy sources can impact the success of those transitions. Electrification of energy systems has the potential to impact power system planning, emissions, and security; however, little research has been done on comprehensive solutions for incorporating resilience into the electrification process. Research has been conducted on aspects of the energy system and electrification, but not holistically across disciplines and related to the interdependencies of different components of the grid system. This gap in research provides an opportunity for more analysis and a collection of best practices to incorporate resilience into electrification plans. Although clean energy is the goal of an increasing number of nations worldwide, there are many considerations in designing clean energy transitions and increased electrification. Resilience must be factored into clean energy transitions from planning, market design, and policies to modernized grid structures and new, location-specific dispersed energy and energy storage technologies.

clean energy↗
DOE OSTI2020

Distributed intelligence and the equivalence of matter and information

Here, it is argued that science of discontinua represents a major paradigm shift in how scientific research is done. First, a historical perspective is given, followed by key aspects of discontinuum simulations and its potential in aiding research and development. This is followed by a philosophical perspective on equivalence of matter and information as inspired by Aristotle’s quest for souls in living things such as cells. Finally, the universality of the discontinuum approach is explored with its consequences for computing and artificial intelligence.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Investigation of Remanufacturing Methods Utilizing Mechanically-Generated and Gas-Atomized Feedstock Production for Directed Energy Deposition Processing Through Specific Energy Consumption Modeling

The goal of this work was to assess the energy consumption of a novel remanufacturing method that utilizes mechanically-generated feedstock for directed energy deposition. Gas-atomization is the state-of-the-art production process for directed energy deposition feedstock, and for this work was incorporated into a remanufacturing process path to provide a comparison method. Specific energy consumption models of remanufacturing utilizing both of these proposed process paths were developed and applied to a case study to investigate energy saving opportunities for future manufacturing paradigms. The energy modelling was done in three stages. First, the mechanically-generated feedstock production energy consumption model was generated from experimental observation. Second, the gas-atomized feedstock production energy consumption model was generated from a combination of experimental observation, reported estimates from the manufacturer, and data found in the literature. Lastly, the energy consumption model of directed energy deposition was derived from experimental observation and compares favorably with reported estimates in the literature. With the models, the specific energy consumption in the two process paths were compared and their application was demonstrated by estimating the energy consumption to remanufacture a bracket. The two feedstock production methods had similar specific energy consumptions. The specific energy consumption of the directed energy deposition process was the greatest component in the respective remanufacturing paths by an order of magnitude; increasing deposition rate is the most important factor for lowering the overall specific energy consumption. The analyzed remanufacturing technologies were estimated to consume less energy than replacement when repairing up to approximately 15% of the original part’s mass.

42 ENGINEERING↗
DOE OSTI2025

Magnet-superconductor hybrid quantum systems: a materials platform for topological superconductivity

Magnet–superconductor hybrid (MSH) systems have recently emerged as one of the most significant developments in condensed matter physics. This has generated, in the last decade, a steadily rising interest in the understanding of their unique properties. They have been proposed as one of the most promising platforms for the establishment of topological superconductivity, which holds high potential for application in future quantum information technologies. Their emergent electronic properties stem from the exchange interaction between the magnetic moments and the superconducting condensate. Given the atomic-level origin of such interaction, it is of paramount importance to investigate new magnet–superconductor hybrids at the atomic scale. In this regard, scanning tunneling microscopy (STM) and spectroscopy are playing a crucial role in the race to unveil the fundamental origin of the unique properties of MSH systems, with the aim to discover new hybrid quantum materials capable of hosting topologically non-trivial unconventional superconducting phases. In particular, the combination of STM studies with tight-binding model calculations have represented, so far, the most successful approach to unveil and explain the emergent electronic properties of MSHs. The scope of this review is to offer a broad perspective on the field of MSHs from an atomic-level investigation point-of-view. The focus is on discussing the link between the magnetic ground state hosted by the hybrid system and the corresponding emergent superconducting phase. This is done for MSHs with both one-dimensional (atomic chains) and two-dimensional (atomic lattices and thin films) magnetic systems proximitized to conventional s-wave superconductors. We present a systematic categorization of the experimentally investigated systems with respect to defined experimentally accessible criteria to verify or falsify the presence of topological superconductivity and Majorana edge modes. The discussion will start with an introduction to the physics of Yu–Shiba–Rusinov bound states at magnetic impurities on superconducting surfaces. This will be used as a base for the discussion of magnetic atomic chains on superconductors, distinguishing between ferromagnetic, antiferromagnetic and non-collinear magnetic ground states. A similar approach will be used for the discussion of magnetic thin film islands on superconductors. Given the vast number of publications on the topic, we limit ourselves to discuss works which are most relevant to the search for topological superconductivity.

Majorana states↗
DOE OSTI2023

Methodology for Thermodynamic Analysis Coupled with Computational Fluid Dynamics Modeling for Casting a Novel Aluminum–Cerium Alloy

In this paper, we present the results of computational fluid dynamics (CFD) analysis to assess castability, porosity, molten metal fluidity and other technological properties of a new Al-Ce alloy. A thermodynamic analysis of a new Al-Ce alloy is done to obtain the physical properties as a function of temperature across both solid and liquid phases. These properties are then used to build the CFD of model the full casting process from initial pouring through to final solidification of the part, here an example of a heavy duty mor mount is used. While several excellent commercial CFD codes exists this process shows that CFD can be used to assess the capability of the alloy to properly fill the mold, as well as give predictions where scattered porosity or large-scale defects may occur in the casting. Further, unlike the commercially available software (e.g., ProCAST, SOLIDCast , MAGMASOFT®) the complex 3D-analysis of the stress / strain fields in cast parts is not performed at this time. However, the availability of free software for assessing the required thermodynamic / thermo-physical properties of new alloys (OpenCALPHAD) and CFD codes such as OpenFOAM® makes the developed option attractive and economical, especially for the analysis of new Al-Ce alloys, for which the available data does not exist.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Biochar–polymer composites for 3D printing: a review

Biochar, a bio-based co-product of biofuel production via thermochemical conversion, holds potential as a filler for polymer composites to reduce costs, improve thermomechanical properties, and aid in environmental remediation. 3D-printed biochar composites have received growing interest over the past few years but have experienced difficulties such as poor layer adhesion and nozzle clogging. Currently, no literature review examines 3D-printed biochar composites and related biochar properties in-depth. This work summarizes and discusses recent studies on 3D-printed polymer and biochar composites and examines their mechanical, thermal, and additional properties that result from each study. Technical challenges in printability, such as nozzle clogging from particle size and biochar aggregation, are also discussed. Furthermore, this work discusses the variability of biochar properties resulting from the pyrolysis conditions and feedstock choice in relation to potential 3D printing outcomes. In particular, several studies reported that high lignin feedstocks could be candidates for 3D printing. The post-processing approaches of the biochar via physical and chemical methods are also introduced. Ball milling appears to hold the most promise for physical treatments due to its tunability of particle size, surface area, and functional groups, while chemical treatments with acids or alkalis are used to tailor biochar porosity and wettability. Overall, it was determined that future research needs to be done relating biochar production and post-processing methods to resulting 3D printing parameters as the number of studies is limited.

Day, Rachel [Auburn University, Auburn, AL]↗
DOE OSTI2021

Second-Order Invariant Domain Preserving ALE Approximation of Euler Equations

Abstract An invariant domain preserving arbitrary Lagrangian-Eulerian method for solving non-linear hyperbolic systems is developed. The numerical scheme is explicit in time and the approximation in space is done with continuous finite elements. The method is made invariant domain preserving for the Euler equations using convex limiting and is tested on various benchmarks.

Guermond, Jean-Luc↗
DOE OSTI2021

Chapter 2: Global Value Chain and Manufacturing Analysis on Geothermal Power Plant Turbines

The global geothermal power market has shown significant growth since the last decade and is expected to reach a total installed capacity of 18.4 gigawatts electric (GWe) by the end of 2021 (GEA, 2016). The global geothermal power plant turbine market is dominated by a small number of manufacturers. Between 2005 and 2015, 82% of the geothermal steam turbines were manufactured in Japan, and 74% of the geothermal binary cycle turboexpanders were manufactured in Israel. During this period, the United States played an important role in the global trade flow of fully assembled turbine units and turbine parts, with a high volume of imports and exports. Another significant growth area was in Italian turbine/turboexpander manufacturers, who have increased their market share in the last couple of years. One other important change in the manufacturing market was in Turkey, where the bonus on feed-in-tariff (FIT) for domestic hardware components boosted the national manufacturing sector between 2010 and 2020. When planning geothermal power projects, developers customize their power plant size to fit the available geothermal resource capacity. The turbine is designed and sized to optimize the efficiency and utilization of resource and revenue production. The rest of the power plant components such as heat exchangers (HX), water-cooled cooling towers (WCCT), or air-cooled condensers (ACC) are then chosen to complement the turbine size and design. These one-off manufacturing custom design turbines have relatively higher manufacturing set-up costs, longer lead times, and higher capital costs than the standard design turbines manufactured in larger volumes. However, turbines produced in standard increments and in larger manufacturing volumes could result in lower costs per turbine, but potentially lower efficiency. Based on pipeline projects and resource assessments, there is significant potential value in creating standard turbine sizes that could offer an economic advantage, as is done for modular microturbines.

40 EE - Geothermal Technologies Office (EE-4G)↗
DOE OSTI2024

Ligand design in lanthanide complexes for luminescence, therapy, and sensing

In this chapter, we explore the research done by the de Bettencourt-Dias group in luminescent lanthanide complexes. The group has isolated ligands that sensitize the luminescence of lanthanide ions, and that bear additional functional groups that impart unique properties to the resulting complexes, such as the ability to generate cytotoxic singlet oxygen, or report on, through changes in emission intensity, viscosity or temperature at the nanoscale. The energy transfer processes are accessed through one-photon excitation or two-photon excitation through the ligand, as well as upconversion. Moreover, the group explored unique coordination chemistry of lanthanides, taking advantage of secondary interactions to isolate outer-sphere complexes of these ions.

Barber, Patrick S.↗
DOE OSTI2021

Influence of geometry on columnar to equiaxed transition during electron beam powder bed fusion of IN718

Correlation between spot-melt scan parameters (linear spot-density aka areal energy density), build geometry, and solidification microstructure evolution (columnar vs equiaxed) in a powder bed fusion technology is investigated. It is shown that to maintain the equiaxed solidification microstructure evolution in electron beam powder bed additive manufacturing (AM), the areal energy density per layer needs to be scaled with respect to the 2D cross-sectional area of the layer being melted. Samples with two different cross-sectional areas (40 × 40 mm and 20 × 20 mm) have been fabricated with varying areal energy densities. For a given square cross-section (20 × 20 mm), increasing the areal energy density (4.8 MJ/sq.m to 14.7 MJ/sq.m) transitioned the solidification microstructure from columnar to equiaxed. The observed microstructure data (Electron Back Scattered Diffraction - EBSD) is quantified by calculating the principal component (PC) score using a spatial statistics methodology. The sample with equiaxed grains is found to have a low PC score while the sample with columnar grain had a high PC score. A semi-analytical model is used to simulate the heat transfer and the local solidification conditions as a function of processing parameters (linear spot-density). The result from the heat transfer model is correlated with previously quantified microstructure data. Space-Time analysis of the melt pattern is done and correlated with the observed microstructure. In addition, from the findings, appropriate parameters have been used to additively manufacture a turbine blade with site-specific or hybrid solidification microstructure (traditional fabrication possible via a patented method of localized cold working and heat treatment).

36 MATERIALS SCIENCE↗
DOE OSTI2025

Vector-level feedforward control of LPBF melt pool area using a physics-based thermal model

Laser powder bed fusion (LPBF) is an additive manufacturing technique that has gained popularity thanks to its ability to produce geometrically complex, fully dense metal parts. However, these parts are prone to internal defects and geometric inaccuracies, stemming in part from variations in the melt pool. Here, this paper proposes a novel vector-level feedforward control framework for regulating melt pool area in LPBF. By decoupling part-scale thermal behavior from small-scale melt pool physics, the controller provides a scale-agnostic prediction of melt pool area and efficient optimization over it. This is done by operating on two coupled lightweight models: a finite-difference thermal model that efficiently captures vector-level temperature fields and a reduced-order, analytical melt pool model. Each model is calibrated separately with minimal single-track and 2D experiments, and the framework is validated on a complex 3D geometry in both Inconel 718 and 316L stainless steel. Results showed that feedforward vector-level laser power scheduling reduced geometric inaccuracy in key dimensions by 62%, overall porosity by 16.5%, and photodiode root-mean-squared deviation by 38.5% on average. Overall, this modular, data-efficient approach demonstrates that proactively compensating for known thermal effects can significantly improve part quality while remaining computationally efficient and readily extensible to other materials and machines.

Additive manufacturing↗
DOE OSTI2021

A probabilistic economic and environmental impact assessment of a cyanobacteria-based biorefinery

Microbial based biofuels represent a potential promising solution as an environmentally favorable transportation fuel. Cyanobacteria have many of the same advantages as microalgae: ability for rapid growth in otherwise non-arable regions, suitability for genetic engineering, and simple nutritional needs. Additionally, cyanobacteria can be engineered to secrete valuable co-products that can be harvested independent from the produced biomass. However, little work has been done to identify the processes and the economic and environmental impacts associated with a large-scale cyanobacteria-to-fuels facility. The present study is a concurrent techno-economic and life cycle assessment of a facility that generates fuels and methyl laurate, an oleochemical, from the cyanobacterial species Synechocystis sp. PCC 6803. Here, the biorefinery model includes all aspects of cultivation, separation of the secreted methyl laurate, biomass harvesting and fuel processing via hydrothermal liquefaction (HTL) of the dewatered biomass. The assessments leverage Monte Carlo analysis (MCA) to address uncertainty and variability inherent in the most significant input parameters, replacing them with probabilistic functions. For the facility configuration producing both fuels and the oleochemical co-product, the MCA average minimum fuel selling price (MFSP) is $\$2.47$ per decimeter (dm 3 ) or $\$9.34$ per gallon of gasoline equivalent (gge) with the corresponding average global warming potential determined to be 118 g CO 2 -eq-MJ -1 . The case producing only fuels results in an MCA average MFSP of $\$2.01$-(dm 3 ) -1 ($\$7.60$-gge -1 ) and an average environmental impact of 100 g CO 2 -eq-MJ -1 . These results are compared to static optimistic and conservative scenario analysis estimates, illustrating the over- and under-estimation of outcomes associated with non-stochastic methods. Suggested facility improvements include increases in pond productivity of both the biomass and methyl laurate oil production, as well as improvements to carbon utilization and bio-crude yield from HTL processing.

09 BIOMASS FUELS↗
DOE OSTI2021

Thermal neutron scattering measurements and modeling of yttrium-hydrides for high temperature moderator applications

In this work, thermal neutron scattering measurements of yttrium hydride from 5 to 1,200 K were conducted to determine the change in inelastic scattering as a function of temperature and to probe for anharmonic effects. Additionally, measurements on samples of YH x from x = 1.62 to 1.90 were done to determine the effects of varying hydrogen concentration on the inelastic spectra. Changes in temperature affected the inelastic spectra in unanticipated ways, indicating that there are anharmonic effects, whereas hydrogen concentration did not significantly affect the inelastic spectra. These measurements were compared against the ENDF/B-VIII.0 thermal scattering files of YH 2 , as well as new thermal scattering files created by using the stochastic temperature-dependent effective potential (s-TDEP). Both libraries were found to be in good agreement with the experimental data at lower temperatures. At higher temperatures, the s-TDEP method is better at predicting the experimentally observed softening of phonon modes in acoustic and optical regions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Multilabel proportion prediction and out-of-distribution detection on gamma spectra of short-lived fission products

In the machine learning problem of multilabel classification, the objective is to determine for each test instance which classes the instance belongs to. In this work, we consider an extension of multilabel classification, called multilabel proportion prediction, in the context of radioisotope identification (RIID) using gamma spectra data. We aim to not only predict radioisotope proportions, but also identify out-of-distribution (OOD) spectra. We achieve this goal by viewing gamma spectra as discrete probability distributions, and based on this perspective, we develop a custom semi-supervised loss function that combines a traditional supervised loss with an unsupervised reconstruction error function. Our approach was motivated by its application to the analysis of short-lived fission products from spent nuclear fuel. In particular, we demonstrate that a neural network model trained with our loss function can successfully predict the relative proportions of 37 radioisotopes simultaneously. The model trained with synthetic data was then applied to measurements taken by Pacific Northwest National Laboratory (PNNL) to conduct analysis typically done by subject-matter experts. Here, we also extend our approach to successfully identify when measurements are OOD, and thus should not be trusted, whether due to the presence of a novel source or novel proportions.

Anomaly detection↗
DOE OSTI2019

Neutron rich matter in the laboratory and in the heavens after GW170817

The historic observations of the neutron star merger GW170817 advanced our understanding of r-process nucleosynthesis and the equation of state (EOS) of neutron rich matter. Simple neutrino physics suggests that supernovae are not the site of the main r-process. Instead, the very red color of the kilonova associated with GW170817 shows that neutron star (NS) mergers are an important r-process site. We now need to measure the masses and beta decay half-lives of very neutron rich heavy nuclei so that we can more accurately predict the abundances of heavy elements that are produced. This can be done with new radioactive beam accelerators such as the Facility for Rare Isotope Beams (FRIB). GW170817 provided information on the deformability of NS and the equation of state of dense matter. The PREX II experiment will measure the neutron skin of {sup 208}Pb and help constrain the low density EOS. As the sensitivity of gravitational wave detectors improve, we expect to observe many more events. We look forward to exciting advances and surprises!.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Kinklike structures in an arcsin real scalar dynamics

Highlights: • Kinklike analyses in a real scalar theory with an arcsin dynamic. • First-order formalism implementation and deformation procedure in an arcsin scalar dynamics. In this paper, we analyze kink-like analytical solutions in a real scalar theory with an arcsin dynamics inspired by the arcsin electrodynamics presented in Kruglov (2015). This analysis is done by means of the first-order formalism. This formalism provides a framework where the equations of motion can be simplified by preserving the linear stability of the theory. In this work, the deformation procedure is implemented with the aim of finding exact solutions in systems with generalized dynamics. Along the paper, we explore how the first-order formalism is implemented in the arcsin kinetics and how such a term influences the kink-like solutions. As a part of the result of our paper, we show that the kink-like solutions are similar to the ones obtained in the standard scalar kinetic theory. We also show that the extra parameter, that controls the non-linearities of the model, plays an essential role in the energy densities and stability potentials. These quantities vary according to this parameter. The goals here are to show how the first-order framework is implemented in this arcsin scenario and to present the analytical kink-like solutions that can be found by means of the first-order framework and deformation method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Gauge invariance and Ward identities in nonlinear response theory

We present a formal analysis of nonlinear response functions in terms of correlation functions in real- and imaginary-time domains. In particular, we show that causal nonlinear response functions, expressed in terms of nested commutators in real time, can be obtained from the analytic continuation of time-ordered response functions, which are more easily amenable to diagrammatic calculation. This generalizes the well-known result of linear response theory. We then use gauge invariance arguments to derive exact relations between second-order response functions in density and current channels. These identities, which are non-perturbative in the strength of inter-particle interactions, allow us to establish exact connections between nonlinear optics calculations done in different electromagnetic gauges.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Partial oxidation of isobutylene using Ni TiO x

In this work, we report an aerobic partical oxidation of isobutylene into isoprene, acetone, and p-xylene using a mesoporous Ni TiO x catalytic material. In this work, two catalysts were found to synthesize two of these three valuable products with high selectivity, with p-xylene being synthesized with a selectivity of 46.0% and isoprene being synthesized with a selectivity of 64.7%, with overall conversions of isobutylene being 34.0% and 11.9% respectively. These reactions were done at relatively low temperatures. (300°C or below) and are conducted at flow rates of 10 sccm oxygen and isobutylene. The nickel titania catalysts were studied extensively using various characterization methodologies such as TEM, Raman, XRD, and XRF.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗