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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 109 records · Page 6

Capillary-driven Condensation for Heat Transfer Enhancement in Steam Power Plants

A novel condensation method was developed to enhance the efficiency of steam power plants. The method consists of a hierarchical structure on the surface of condenser tubes consisting of a wicking structure overlaid with a porous hydrophobic membrane. The project is divided into two main efforts. First, a structure with highly defined geometry was made utilizing microfabrication on silicon. This structure helped us elucidate the physics of steam condensation at the surface, more easily model the heat transfer coefficient, and demonstrate the first proof-of-concept for our proposed condensation approach. The structures on silicon achieved a heat transfer coefficient ~ 240% higher than the theoretical filmwise value at the same operating condition. Second, the method is explored for scalability by fabricating surfaces with industrial class materials followed by heat transfer measurements on flat surfaces. An HTC enhancement of 50% over the experimental filmwise value was achieved on hierarchical copper surfaces made of commercially available copper foams and meshes, showing the potential of achieving heat transfer enhancement using low cost and scalable materials. Scalable fabrication of the hydrophobic membrane and the porous copper wick were also investigated. Our heat and mass transfer model predicts a > 5x heat transfer enhancement on a scalable version of capillary driven condenser made of membrane covered porous copper. The results demonstrate the promise of capillary-driven condensation surfaces for heat transfer applications.

20 FOSSIL-FUELED POWER PLANTS↗

Validation of Robustness in TCR Design Strategies

Advanced Manufacturing (AM) has been identified as one of key pathways in accelerating deployment of next generation of nuclear power plants. The nuclear industry continues to predominately rely on fabrication techniques and materials that their codes and standards were approved decades ago. This legacy approach in the highly regulated nuclear sector has brought uncertainty to commercial viability of nuclear energy in the U.S. The Transformational Challenge Reactor (TCR), sought to utilize AM methods for fabrication of a High Temperature Gas Reactor (HTGR). The program sought to leverage AM to construct a non-conventional geometry made up of TRISO fuel and hydride moderator in SiC matrix. This project objective was to provide independent analysis of the core configuration with separate set of tools and approaches than utilized by the TCR team in a 2-year time frame. This NEUP project also tackled a question: Can AM be a cost-effective tool in changing the commercial paradigm of nuclear. We investigated this question in-context of a micro HTGR. While respecting the inherit uncertainty in our input parameters, overall we saw that AM has potential in improving economic competitiveness of nuclear energy when employed on multiple fronts (i.e. few percentage cost improvement per component). Given realizing AM requires mass orders and large R&D investment for commercial utilization, Department of Energy should focus its support on few key enabling technologies and support their codes and standards development and qualification cost (including irradiation as applicable) rather than taking a diluted approach.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Ducted Fuel Injection and Cooled Spray Technologies for Particulate Control in Heavy-Duty Diesel Engines

Heavy-duty diesel engine manufacturers are continually seeking simple, low-cost technologies to reduce emissions. Ducted Fuel Injection (DFI) and Cooled Spray (CS) technologies have emerged as promising solutions, offering the potential for nearly sootless operation. These innovations could significantly decrease harmful Particulate Matter (PM) emissions while enabling further optimization to reduce Nitrogen Oxides (NOx) and increase efficiency. While initial experiments across various engine types have shown promise, uncertainties remain regarding the ideal geometry, scaling properties, and effectiveness of these technologies across different operating conditions. This project aims to address these knowledge gaps through experiments in both optical and metal single-cylinder engines.

33 ADVANCED PROPULSION SYSTEMS↗

Geometric Interpretation of the Cluster Location Problem Part I: Theory

We present a new framing of the seismic location problem using principles drawn from differential geometry. Our interpretation relies upon the common assumption that travel times observed across a network are continuous, differentiable functions of source location. In consequence, travel‐time functions constitute a differentiable map between the source region and a Riemannian manifold. The manifold is said to be the image of the source region embedded in a generally high‐dimension travel‐time vector space. A cluster of events in the source region has an image of discrete points on the manifold, that, except in the simplest cases, cannot be viewed directly. However, it is possible to project the image of a cluster into a tangent space of the manifold for direct visualization. The projection operator can be computed directly from the data without a velocity model, but produces a distorted rendering of the cluster geometry. With a model we can predict the distortions and correct them to estimate cluster geometry. We develop these points with the simplest possible example, one for which direct visualization of the manifold is possible, using the example as an introduction to the relevant concepts from differential geometry in a familiar setting. The tangent space, a local linearization of the manifold, plays a key role. We develop a metric to estimate the limits of linearization, that is, to determine when the curvature of the manifold invalidates the linear assumption. We also examine the interplay of model error, inadequate network geometry, and pick error. We then generalize our results from the simple case to the general case of 3D source regions observed by general networks. Although we do suggest a new “project and correct” method for location, we do not develop it into a practical algorithm. In conclusion, our intention rather is to highlight new analytical methods grounded in differential geometry.

East Pacific Ocean Islands↗

Analysis of the density field around a supersonic conical projectile using quantitative schlieren

Quantitative schlieren imaging is a flow measurement technique that is capable of measuring density fields throughout refractive flowfields. The technique was applied here to measure the density field surrounding supersonic conical projectiles in free flight. Shock waves attached to a supersonic conical projectile offer a simple geometry with the well-established Taylor–Maccoll analytical flow solution to which these experimental measurements were compared. The schlieren images recorded a projection of the index of refraction field surrounding the 10° half-angle cones which was converted to density first through an Abel inversion and then the Gladstone–Dale law. Three Abel inversion methods—two-point, three-point, and arbitrary ray axisymmetric projection (ARAP)—were applied to deconvolute the three-dimensional flow within the constrained axisymmetric flow field. The resulting reconstructed density profiles were compared to the Taylor–Maccoll solution, parameterized by cone geometry and Mach number. The experimental density fields demonstrated strong agreement with the theoretical profiles. Experimental consistency was confirmed across various projectile speeds, demonstrating quantitative schlieren’s capability to accurately reconstruct the density of the flow field, even within the resolution constraints imposed by high-speed imaging. In conclusion, an assessment of experimental uncertainties in the density reconstruction was performed.

Abel Inversion↗

First-Principles Evaluation of Proton Hopping in Tetrahedral Oxide Motifs

Proton-conducting oxides (PCOs) are important materials used as ionic conductors for energy conversion technologies. Existing research efforts on PCO optimization and discovery generally focus on complex perovskite-based oxides that require doping and alloying to engineer oxygen deficiency and high proton conductivity. However, the variety of chemical compositions and coordination environments in oxides poses challenges for efficient materials design. In this computational study, we construct a database of simplified motifs to elucidate the relationship between fundamental materials chemistry and proton kinetics. Specifically, we focus on the zincblende crystal structure as a proxy for tetrahedral metal–oxide (M–O) coordination environments. We systematically quantified the effects of cation type, oxidation states, and M–O bond lengths on the proton hopping barrier, and found that strong M–O bonds and metal cations with large and variable oxidation states (e.g., Mo 6+ , V 5+ ) lead to smaller proton hopping barriers. By mapping the candidate cations and their preferred bond geometries onto materials databases such as the Inorganic Crystal Structure Database (ICSD) and Materials Project, we identified real materials containing the corresponding metal–oxide units. In general, we observed good agreement between the calculated proton hopping barriers obtained in real crystal structures and those predicted by our motif database. We also discuss the limitations of our model and possible future extensions to improve its predictive capabilities. Overall, our model provides a first step for the rational design and quick screening of energy-efficient PCOs.

organic↗

Ducted Fuel Injection and Cooled Spray Technologies for Particulate Control in Heavy-Duty Diesel Engines

Heavy-Duty diesel engine manufacturers are continuously in pursuit of simple and low-cost technologies that can reduce emissions. Ducted fuel injection (DFI) and Cooled Spray (CS) technologies are two technologies that continue to show promise for significant particulate emissions reductions. These technologies represent a breakthrough in diesel engine combustion from the potential of nearly sootless diesel combustion. This can provide a significant decrease in harmful PM emissions and may enable further system optimization for reduced NOx emissions and increased efficiency. Combustion vessel experiments and engine demonstrations at Sandia, together with the large bore engine tests performed by Wabtec show that this technology may be applicable to heavy duty diesel engines across a wide range of engine sizes and speeds representing the majority of off-road diesel engines. However, very little is known about the ideal geometry, scaling properties or effectiveness of these technologies over the engine operating map. This project will address those uncertainties through a series of experiments performed in an optical and a metal single-cylinder engine.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Welding of Haynes 282 to Steels to Enable Modular Rotors for Advanced Ultra Super-Critical Steam Turbines

Steam turbines for an Advanced Ultra Super Critical (AUSC) fossil fired power plant will operate at temperatures well above those of current commercial steam cycles with inlet temperatures more than 760 C , which is beyond the capabilities of alloy steels presently used for steam turbine applications and requires advanced materials. Large components such as steam turbine rotors may be made of nickel based super alloys such as Haynes 282 (H282). However, monolithic forgings of superalloys in the sizes required for large steam turbines rotors can be prohibitively expensive besides many technical challenges. To minimize cost and alleviate the related technical challenges, superalloy use needs to be limited to locations on the steam turbine rotor where strength and temperature requirements cannot be met by conventional steels. This is possible if nickel-based superalloys can be successfully welded to steels and the related technical challenges - machining parts made of dissimilar welded materials, non-destructive examination of such welds for flaw detection; and, material properties of such hybrid components – are sufficiently addressed. In this technology development project, we successfully welded H282 to plates up to ~ 75 mm (~ 3 inches) to a 3.5NiCrMoV steel of similar thickness. Advanced ultrasonic inspection technique called Phased Array Ultrasonic Testing (PAUT) was employed to examine the dissimilar H282-Steel welds, into which flat bottomed side drilled holes (SDH) of various diameters were introduced, to determine the minimum detectable feature sizes; it was shown that with PAUT SDH of dia. down to 0.5 mm could be detected in the base alloys and SDH with dia. down to 2.4 mm could be detected in the weld metal under multiple orientations successfully. An autonomous machining process monitoring system was developed and demonstrated whereby the forces acting on the cutting tool could be actively monitored as the cutting tool transitioned from H282 to Steel across the weld using which the machining parameters can be potentially altered without interruption to extend tool life. This project successfully achieved its objectives of - i. Developing a welding methodology and viable welding geometries, to successfully join H282 to steel 3.5CrMoNiV steel to enable manufacture of modular steam turbine rotors for AUSC applications (conditions of at least 760 °Celsius and 3,100 psia (pounds per square inch absolute pressure) and evaluate the material properties of the welded specimen. ii. Employ the advanced ultrasonic inspection technique to the dissimilar weld metal joint and determine the minimum detectable feature sizes. iii. Develop effective machining techniques to machine such hybrid structures with online tool force monitoring and effect machine state metrics for optimal results.

20 FOSSIL-FUELED POWER PLANTS↗

ELSI — An open infrastructure for electronic structure solvers

Routine applications of electronic structure theory to molecules and periodic systems need to compute the electron density from given Hamiltonian and, in case of non-orthogonal basis sets, overlap matrices. System sizes can range from few to thousands or, in some examples, millions of atoms. Different discretization schemes (basis sets) and different system geometries (finite non-periodic vs. infinite periodic boundary conditions) yield matrices with different structures. The ELectronic Structure Infrastructure (ELSI) project provides an open-source software interface to facilitate the implementation and optimal use of high-performance solver libraries covering cubic scaling eigensolvers, linear scaling density-matrix-based algorithms, and other reduced scaling methods in between. In this paper, we present recent improvements and developments inside ELSI, mainly covering (1) new solvers connected to the interface, (2) matrix layout and communication adapted for parallel calculations of periodic and/or spin-polarized systems, (3) routines for density matrix extrapolation in geometry optimization and molecular dynamics calculations, and (4) general utilities such as parallel matrix I/O and JSON output. The ELSI interface has been integrated into four electronic structure code projects (DFTB+, DGDFT, FHI-aims, SIESTA), allowing us to rigorously benchmark the performance of the solvers on an equal footing. Based on results of a systematic set of large-scale benchmarks performed with Kohn–Sham density-functional theory and density-functional tight-binding theory, we identify factors that strongly affect the efficiency of the solvers, and propose a decision layer that assists with the solver selection process. As a result, we describe a reverse communication interface encoding matrix-free iterative solver strategies that are amenable, e.g., for use with planewave basis sets.

97 MATHEMATICS AND COMPUTING↗

A Custom Machine to Convey Radiologically Impacted Cohesive Soils to the Orion ScanSortSM System - 20382

An established method to reduce the volume of material required to be disposed of as radioactive waste is conveyor-based sorting of potentially radiologically impacted soils. With the Orion ScanSortSM system, potentially impacted soils are conveyed beneath radiation detectors and sorted into above and below criteria bins based on the detectors' response. Confident measurements can only be efficiently achieved when the soil column being conveyed has a reasonably consistent geometry. Highly cohesive soils present a very significant challenge as they tend to clump and adhere to the conveyor hopper, strike-off bar, and belt skirting. This causes voids and valleys in the soil column that affect the measurement geometry and reduce the confidence in the measurement. The reduction in confidence necessitates a longer residence time (i.e. reduction in conveyor belt speed and processing rates) or that the soils in highly unfavorable geometries be dispositioned as impacted or segregated for resurvey (should site logistics support that option). These outcomes may increase the volume of material required to be dispositioned as radiological waste and have a negative impact on project cost and schedule. To minimize impact to sorting operations, Wood designed and built a customized Extruder, to optimize the soil column prior to assay. The design was developed and refined to minimize the volume of highly cohesive soils presented in highly unfavorable geometries in the soil column in order to confidently assess and disposition such soils in a high-production environment. The Extruder is a customized 90 cm wide flat conveyor that has an oversized hopper with a pair of motor-driven rollers that force the soils in the hopper through an opening of adjustable height. The soils are extruded through the opening to produce a soil column that is ∼75 cm wide and ∼8-18 cm deep with a design rate of 225 metric tons/hr. The Extruder was recently deployed with the Orion ScanSort{sup SM} System to a site in northeast Ohio. The site has highly cohesive soils that result from the weathering of glacial sediments and consist of clay and clay loam, resulting in poor drainage and high moisture content. The project infrastructure only supported two bins of material (above and below criteria), which necessitated that soils with unfavorable geometries be discharged into the above criteria bin, along with material determined to have been contaminated. The Extruder was extremely successful in producing a stable soil column with favorable geometries for radiological assay. During production, less than 0.5% (by mass) of the soils processed were presented in unsatisfactory geometries requiring disposition as radioactive waste. The Extruder did not get clogged due to the cohesive soils (as is typical with conventional conveyors) and required very little maintenance, again minimizing impacts to sorting operations. The conveyor belt speed was operated at 14 cm/s with a typical belt loading of ∼109 kg/m resulting in a mean process rate of ∼49 metric tons/hr. The process rate was constrained by other project logistics, rather than by the capabilities of the Extruder, which was operated at less than 20% of the maximum design speed (75 cm/s). It is concluded that the Extruder is highly likely to produce a stable highly cohesive soil column suitable for efficient and confident radiological assay in production environments of 250 short tons/hr or more. The Extruder has the capability to drastically reduce the duration and costs of projects with radiologically impacted highly cohesive soils. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Materials Data on BaTiO3 by Materials Project

BaTiO3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ba–O bond lengths are 2.52 Å. Ti4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ti–O bond lengths are 2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ti4+ and two equivalent O2- atoms. Both O–O bond lengths are 2.06 Å. In the second O2- site, O2- is bonded to two equivalent Ba2+ and four equivalent O2- atoms to form distorted corner-sharing OBa2O4 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on Ti(PS3)2 by Materials Project

TiP2S6 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Ti2+ is bonded in an octahedral geometry to six S2- atoms. There are two shorter (2.43 Å) and four longer (2.46 Å) Ti–S bond lengths. P5+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 2.02–2.05 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to one Ti2+ and one P5+ atom. In the second S2- site, S2- is bonded in a water-like geometry to one Ti2+ and one P5+ atom. In the third S2- site, S2- is bonded in an L-shaped geometry to one Ti2+ and one P5+ atom.

36 MATERIALS SCIENCE↗

Materials Data on VAg3O4 by Materials Project

Ag3VO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.75 Å) and two longer (1.78 Å) V–O bond length. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.18–2.60 Å. In the second Ag1+ site, Ag1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.31 Å) and two longer (2.50 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one V5+ and three Ag1+ atoms to form distorted corner-sharing OVAg3 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one V5+ and three Ag1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on VAgHgO4 by Materials Project

VAgHgO4 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.71–1.85 Å. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.33–3.04 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.28–2.64 Å. In the second Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.06–2.92 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, one Ag1+, and one Hg2+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one V5+, two equivalent Ag1+, and one Hg2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one V5+, two equivalent Ag1+, and two Hg2+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+, one Ag1+, and two Hg2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on PBr5 by Materials Project

PBr5 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. P5+ is bonded in a tetrahedral geometry to four Br1- atoms. There are one shorter (2.20 Å) and three longer (2.22 Å) P–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one P5+ and one Br1- atom. The Br–Br bond length is 3.14 Å. In the second Br1- site, Br1- is bonded in a single-bond geometry to one P5+ and one Br1- atom. The Br–Br bond length is 3.05 Å. In the third Br1- site, Br1- is bonded in a see-saw-like geometry to four Br1- atoms. The Br–Br bond length is 3.26 Å. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one P5+ and one Br1- atom.

36 MATERIALS SCIENCE↗

Materials Data on Ge(Bi3O5)4 by Materials Project

Bi12GeO20 crystallizes in the cubic I23 space group. The structure is three-dimensional. Ge4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Ge–O bond lengths are 1.80 Å. Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to one Ge4+ and three equivalent Bi3+ atoms to form distorted corner-sharing OGeBi3 tetrahedra. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Tl4CrI6 by Materials Project

CrTl4I6 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Cr2+ is bonded in an octahedral geometry to six I1- atoms. There are a spread of Cr–I bond distances ranging from 2.75–3.34 Å. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six I1- atoms. There are a spread of Tl–I bond distances ranging from 3.41–3.74 Å. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.53–3.93 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 7-coordinate geometry to one Cr2+ and six Tl1+ atoms. In the second I1- site, I1- is bonded in a 1-coordinate geometry to one Cr2+ and four Tl1+ atoms. In the third I1- site, I1- is bonded to one Cr2+ and four Tl1+ atoms to form distorted corner-sharing ITl4Cr square pyramids.

36 MATERIALS SCIENCE↗

Materials Data on Si(Bi3O5)4 by Materials Project

Bi12SiO20 crystallizes in the cubic I23 space group. The structure is three-dimensional. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.67 Å. Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.68 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Si4+ and three equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Bi3+ atoms.

36 MATERIALS SCIENCE↗