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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Watertight Tensor-Product Spline Reconstruction (KCNSC PDRD Technical Report)

The standard for representing geometric models in Computer Aided Design (CAD) systems is boundary representation with trimmed surfaces. However, the approximate nature of surface-surface intersections in CAD systems leaves many small gaps between mating surfaces. These gaps lead to problems for downstream analysis and manufacturing applications, requiring time consuming repair operations and further approximation of the geometry as polygonal meshes, which do not support design iteration. In this study, nVariate, Inc. evaluated its watertight reconstruction technology on a test part. The resulting watertight model has the same absolute model accuracy of the original model zero gaps, providing a representation that requires no repair and supports further design iterations in the CAD system.

42 ENGINEERING↗
DOE OSTI2021

Oregon Roadway CSZ Liquefaction and Landslide Impact Screening Analysis

The roadway transportation routes and the surrounding environments in Oregon will be subject to ground acceleration and potential associated deformation due to the propagation of waves of energy during a Cascadia Subduction Zone (CSZ) earthquake. Linear features such as highways may be subject to partial or complete disruption of their function resulting from ground deformations at and along the roadway. A potential source of these disruptions associated with a CSZ event are landslides and liquefaction in the soils along and beneath the highways and local roadways. The construction of the Oregon roadway system and urban development have occurred largely along the banks of the rivers—those along the Pacific coast, and along the valleys throughout the Oregon Coast Range and Cascade Mountains. These locations also represent areas where landslides and liquefaction have occurred historically, or may potentially occur in the future, presenting a significant vulnerability for the roadway system and dependent post-CSZ earthquake emergency response and recovery effort. Many of the Oregon areas with landslide- and liquefaction-prone soils have the potential to impact roadway transportation routes after a major earthquake causing delays in establishing routes to transport emergency response personnel and resources to impacted areas and communities. This report presents methods used to project the impacts that CSZ earthquake-induced landslides and liquefaction may have on roadways across Oregon. First, this report presents an approach for estimating the risk of landslides to Oregon roadways, and determining approximate reopening times. Second, this report presents a similar approach for estimating the risk of liquefaction-induced ground displacements to roadway pavements, also resulting in approximate reopening times for roadway segments. The outcomes of these two ground failure analyses serve as inputs to a broader analysis of CSZ earthquake impacts to Oregon’s surface transportation system and its ability to support post-disaster response and recovery activities, as part of the Oregon Transportation Systems Regional Resiliency Assessment Program project (CISA 2021).

58 GEOSCIENCES↗
DOE OSTI2022

Developing in-situ capabilities for synchrotron light source relevant to PNNL mission research areas

The main objective of the proposed research is to engage synchrotron light source capabilities to address the critical mission areas at PNNL. We have carried out Multi-model chemical analysis and imaging to unravel the role of surface chemistry during realistic heterogeneous interfacial processes - through a close collaboration that will help BES and BER research projects. In particular, we performed the following activities to understand role of surface chemistry on metal and oxide reactivity and metal ion transfer across oxide surface and aqueous solutions: 1) Perform light source experiments utilizing samples generated at PNNL; 2) Develop early career PNNL scientists utilizing light sources; 3) Build collaborations with ALS scientists in developing new in-situ capabilities; 4) Complete AMBER capabilities in collaboration with ALS scientists and make those available to the scientific community including PNNL scientists.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Assessing the Threat: Weaving Cybersecurity into the Building Development Process

Today’s connected lighting systems have the potential to reduce energy consumption and operational costs via the use of the data they collect and share with other building systems (e.g., HVAC, building automation, security). However, many market available products are new to being networked, and when networked components in lighting and other building systems are not sufficiently secured, they present opportunities for criminals to exploit. Further, security vulnerabilities in one system can be used as lateral steppingstones that allow access to other prized assets on the same network. These cybersecurity concerns could deter the adoption and use of connected systems, which then could jeopardize long-term national objectives for reduced energy usage. The workflows described here and presented in more detail in the referenced reports are examples of how these frameworks and tools can be put to practical use during system design and specification.

attack surface, Building development, threat analy↗
DOE OSTI2022

Calibration of a mesoscale tritium transport model for ceramic breeder materials in TMAP8 using experimental data

Due to the scarcity of the long-term external tritium supply, lithium-containing breeder materials are used in the blanket of fusion reactors to produce tritium faster than the deuterium-tritium fusion reaction consumes it. A cellular breeder is a promising material with higher lithium density and thermal conductivity than conventional ceramic pebbles and enhanced tritium extraction with interconnected pores. Although several experimental and modeling efforts have improved our understanding of tritium transport, the exact mechanisms governing tritium release from breeder materials are still unknown. As a result, current models cannot reliably assess the tritium breeding capabilities of cellular breeder materials. This work presents a tritium transport multiphysics model and calibrates it using experimental data of deuterium absorption and desorption from cellular breeder materials at different temperatures and pressures. This model accounts for ceramic and pore diffusion, trapping and detrapping, and several surface reactions at the pore surface. After calibrating the model and performing sensitivity analysis, we discuss pre-dominant mechanisms governing tritium release from cellular breeder materials. The model is part of the Tritium Migration Analysis Program [TMAP8], a multiscale, multiphysics framework for tritium transport based on the finite element multiphysics framework MOOSE. This study demonstrates some of TMAP8’s capabilities and provides insight into the mechanisms governing tritium transport in cellular ceramic breeder materials.

08 HYDROGEN↗
DOE OSTI2023

Consideration of Nonideal Detonation Regimes Influenced by Wave Modes in a Water-Cooled Rotating Detonation Engine Using OH* Chemiluminescence

Although inherently unstable, existing research in rotating detonation combustion supports its application in notionally steady processes resulting in greater availability compared to conventional, constant pressure combustion. Further improvements rely on a more in-depth understanding of system losses and identifying conditions which optimize device performance. Within this study, the presence and proportion of ideal and nonideal combustion regimes are compared across a variety of process conditions and wave modes. Here, large-scale data analysis seeks to summarize proportional heat release associated with commensal, parasitic, and detonative combustion averaged across individual traces of OH* chemiluminescent data acquired at the detonation plane. Means of regime partitioning based on the anatomy of the time-resolved OH* signal are proposed to ensure consistent analysis throughout the current and future studies concerning combustion regimes. Of particular interest is the possible influence of wave on the nonideal combustion in relative proportion to the desired detonation. Results showed improved percent detonation with increasing significance for the following trends: decreasing equivalence ratio, increasing wave count, decreasing wave velocity, and increasing detonation time. Increased wave number, brought on by decreased equivalence ratios and wave velocities, is thought to decrease fill region surface area, and therefore, decrease nonideal contact burning. Additional analysis is performed to consider possible trend variation due to the presence of stable galloping waves, which were found to have minimal influence on relative percent detonation values. The outcome of this study suggests operational states, which correspond to increased wave quantities for increased proportions of reactants consumed by the targeted detonative combustion regime.

42 ENGINEERING↗
DOE OSTI2022

The EBLM project – IX. Five fully convective M-dwarfs, precisely measured with CHEOPS and TESS light curves

ABSTRACT Eclipsing binaries are important benchmark objects to test and calibrate stellar structure and evolution models. This is especially true for binaries with a fully convective M-dwarf component for which direct measurements of these stars’ masses and radii are difficult using other techniques. Within the potential of M-dwarfs to be exoplanet host stars, the accuracy of theoretical predictions of their radius and effective temperature as a function of their mass is an active topic of discussion. Not only the parameters of transiting exoplanets but also the success of future atmospheric characterization relies on accurate theoretical predictions. We present the analysis of five eclipsing binaries with low-mass stellar companions out of a subsample of 23, for which we obtained ultra-high-precision light curves using the CHEOPS satellite. The observation of their primary and secondary eclipses are combined with spectroscopic measurements to precisely model the primary parameters and derive the M-dwarfs mass, radius, surface gravity, and effective temperature estimates using the PYCHEOPS data analysis software. Combining these results to the same set of parameters derived from TESS light curves, we find very good agreement (better than 1 per cent for radius and better than 0.2 per cent for surface gravity). We also analyse the importance of precise orbits from radial velocity measurements and find them to be crucial to derive M-dwarf radii in a regime below 5 per cent accuracy. These results add five valuable data points to the mass–radius diagram of fully convective M-dwarfs.

Sebastian, D. (ORCID:0000000222149258)↗
DOE OSTI2023

Effect of chromium on corrosion resistance of Ni-Cr-Mo-Gd alloys in seawater

Neutron absorbing materials are being considered within commercial spent nuclear fuel disposal canisters to maintain nuclear subcriticality in storage. To select candidate alloys for the canisters, both neutron absorption and corrosion resistance should be considered. This work examines corrosion resistance of Ni-Cr-Mo-Gd alloys developed specifically for neutron absorption. The addition of Gd results in a secondary gadolinide phase (Ni 5 Gd) that significantly changes the corrosion properties. Testing was performed primarily in seawater at 30°C. Seawater was selected as the most prevalent terrestrial brine and is characterized by a high chloride concentration. Various electrochemical corrosion techniques were carried out to evaluate Ni-Cr-Mo-Gd alloys with different Cr compositions and investigate the role of Ni 5 Gd phase on corrosion behavior. C22 was included as a benchmark material, due to the similarity in composition and the significant corrosion data available. Here, test results showed a tendency to passivate over time which is attributed to dissolution of surface exposed Ni 5 Gd phase. Cross-sectional analysis indicated that dissolution could penetrate hundreds of micrometers deep under aggressive conditions. It was found that higher Cr variant (21.01%) showed much shallower impact, suggesting Cr prevented primary phase corrosion and thus reduced Ni 5 Gd phase dissolution. Acid pickling of the specimens showed much less dissolution for a higher Cr material and suggested some primary phase dissolution for the low Cr specimen. Acid pickled specimens showed positive shifts in the repassivation potential, suggesting increased surface passivation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Introductory guide to backgrounds in XPS spectra and their impact on determining peak intensities

Photoelectron and Auger peaks are central to most of the important uses of x-ray photoelectron spectroscopy (XPS), and thus, they receive the most attention in many types of analysis. Quantitative chemical analysis using XPS requires the assessment of the intensities of the photoemission peaks of the elements detected. Determination of peak intensities requires separation of the photoelectron peak signals from the background on which the peaks rest. For the determination of peak area intensities, the background is subtracted from overall signal intensity. The spectral background is also critical when peak fitting is used to determine intensities of overlapping peaks, and the model of background used in this process can impact the results. In addition to the impact on quantitative analysis, information about the depth distribution of elements in the near surface region can often be obtained by visual inspection of the background and quantified using appropriate modeling. Here, this introductory guide provides some basic information about backgrounds in the XPS analysis, describes the types of background models that are commonly used, suggests some of their strengths and weaknesses, and provides examples of their use and misuse. Although the fundamental nature of some components of the background signals in XPS is not understood, indicating that none of the models in use are fully correct and the area is subject to active research, appropriate good practices have been established for most routine analysis. The guide describes good practices, identifies errors that frequently appear in the literature, and uses examples to demonstrate the impacts of background selections on determinations of peak intensities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Fermi surface topology and nontrivial Berry phase in the flat-band semimetal Pd 3 Pb

A study of the Fermi surface of the putative topological semimetal Pd 3 Pb has been carried out using Shubnikov–de Haas (SdH) oscillations measured in fields of up to 60 T. Pd 3 Pb has garnered attention in the community due to a peculiar Fermi surface that has been proposed theoretically by Ahn, Pickett, and Lee, Phys. Rev. B 98 , 035130 (2018) to host a dispersionless band along X - Γ as well as multiple triply degenerate band crossings that, under the influence of spin-orbit coupling, lead to ten fourfold degenerate Dirac points. Analysis of the SdH oscillation data verifies the calculated multisheet Fermi surface, revealing a Γ centered spheroid that had not been resolved experimentally in prior studies. A comprehensive, angle-dependent analysis of the phase of the SdH oscillations convincingly demonstrates a nontrivial Berry phase for two bands along Γ - R , supporting the theoretical predictions, while simultaneously evidencing interference between extremal orbits that mimics a trivial Berry phase at intermediate angles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Pragmatic protocols for working cleanly when measuring ice nucleating particles

We report that measuring ice nucleating particles (INPs) is critical for understanding, and modeling, cloud formation, reflectivity, and precipitation patterns. However, because INPs are very rare in the atmosphere, but abundant—sometimes alarmingly so—in the dust that covers all work surfaces, contamination during processing of collected aerosol samples can be a significant hindrance to obtaining accurate measures of INPs. In preparing this technical note, we questioned the cleanliness of every collection and processing step involved in making immersion freezing measurements of INPs re-suspended from filter samples. The aim was to identify, and then minimize, all potential sources of significant contamination, including containers and tools used to store filters and prepare liquid suspensions, gloves, work surfaces, and the polymerase chain reaction (PCR) trays commonly used for sample analysis. While plasticware released few INPs, most gloves readily shed them, but this can be mitigated by using washed cleanroom vinyl or polyethylene gloves. Work surfaces, even those that had been cleaned, were prodigious reservoirs of contaminating INPs, but simply covering them with aluminum foil will provide an INP-free surface. By applying these practices, we developed a method to reduce the background level of INPs on Nuclepore™ polycarbonate filters in our tests to 0 at -25 °C and < 20 at -27 °C, making them suitable for use in all sampling environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Pt-Assisted Carbon Remediation of Mo2C Materials for CO Disproportionation

Using the CO disproportionation (Boudouard) reaction as a probe reaction, an in-depth analysis of temperature-programmed pulse response data shows that the addition of Pt to Mo2C mitigates deactivation of Mo active sites by acting as a carbon collector. CO2 production on Mo2C and Pt/Mo2C materials is dependent on both the activation energy and the CO surface concentration. Detailed plane-wave density functional theory calculations of the CO adsorption and disproportion reactions on Mo2C-supported Pt nanoparticles (NPs) are reported. The Mo2C was modeled by the ß-Mo2C (100) surface, and the Pt/Mo2C interface was modeled by the addition of 12 Pt atoms to the Mo2C (100) surface (12Pt@Mo2C). The potential energy surfaces of the Boudouard reaction were calculated on pure Mo2C, 12Pt@Mo2C, and Pt (111) surfaces. CO dissociation readily occurs on the Mo2C (100) surface, but not on the Pt (111) surface, with the former being exothermic and the latter being endothermic. At the Pt/Mo2C interface, CO dissociation is still exothermic, but with a larger energy barrier. The Boudouard reaction takes place on the Mo2C region, where CO2 is formed from a surface O atom dissociated from one CO molecule in reaction with another CO molecule, leaving one C atom on the surface. C adsorption is preferential on the Pt site in comparison to the Mo site. The supported Pt domains can collect the remaining C atoms, facilitating further CO2 formation on the active Mo sites. A Bader charge analysis shows that the surface metal-carbon bond is a mixture of covalent and ionic bonds, whereas the surface metal-oxygen bond is ionic. Electron localization function (ELF) and partial charge density calculations agree well with the Bader charge analysis. These computational results are consistent with experimental observations of the interaction of CO with Mo2C nanotube supported Pt domains in the transient regime under far from equilibrium conditions. The Boudouard reaction is an important side reaction, and the unexpected role found for Pt as a carbon collector, with Mo serving as a disproportionation site, provides a unique vantage point for understanding carbon and coke formation on catalytic materials.

Pt-assisted carbon remediation, Pt/Mo2C interface,↗
DOE OSTI2023

Reply to: Low-frequency quantum oscillations in LaRhIn 5 : Dirac point or nodal line?

We thank G.P. Mikitik and Yu.V. Sharlai for contributing this note and the cordial exchange about it. First and foremost, we note that the aim of our paper is to report a methodology to diagnose topological (semi)metals using magnetic quantum oscillations. Thus far, such diagnosis has been based on the phase offset of quantum oscillations, which is extracted from a “Landau fan plot”. A thorough analysis of the Onsager–Lifshitz–Roth quantization rules has shown that the famous π-phase shift can equally well arise from orbital or spin magnetic moments in topologically trivial systems with strong spin-orbit coupling or small effective masses. Therefore, the “Landau fan plot” does not by itself constitute a proof of a topologically nontrivial Fermi surface. In the paper at hand, we report an improved analysis method that exploits the strong energy dependence of the effective mass in linearly dispersing bands. This leads to a characteristic temperature dependence of the oscillation frequency which is a strong indicator of nontrivial topology, even for multi-band metals with complex Fermi surfaces. Three materials, Cd 3 As 2 , Bi 2 O 2 Se and LaRhIn5 served as test cases for this method. Linear band dispersions were detected for Cd 3 As 2 , as well as the F ≈ 7 T pocket in LaRhIn 5 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Modeling, analysis, and code/data validation of DIII-D tokamak divertor experiments on ELM and non-ELM plasma tungsten sputtering erosion

Abstract We analyzed recent DIII-D tokamak tungsten divertor probe experiments using advanced, coupled, sputter erosion/redeposition, plasma, and surface response code packages. Modeling is done for ELMing H-mode, and L-mode plasmas, impinging on various size tungsten deposits on Divertor Material Evaluation System (DiMES) carbon probes. The simulations compute 3D, full kinetic, sub-gyromotion, impurity sputtering and transport, including changes in tungsten surface composition and response due to mixed deuterium and carbon ions irradiation. Per our analysis, ELM (edge localized mode) plasma sputtering in DIII-D mostly involves free-streaming high energy (∼500–1000 eV) D + and C +6 ions, with high near-surface plasma density. L-Mode sputtering is due to impurity sputtering (C, W) only, with lower density. All cases show complete redeposition of tungsten on the divertor, with significant redeposition on the tungsten spots themselves, and low self-sputtering. Comparison of ELM plasma gross tungsten erosion simulation results with in-situ spectroscopic data is good, as are code/data comparisons of net erosion using post-exposure Rutherford backscattering (RBS) data for the L-mode probes. The analysis, extrapolated to a full tungsten divertor, implies low net erosion and negligible plasma contamination from sputtering. These results support the use of high-Z plasma facing surfaces in ITER and beyond.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Metal (hydr)oxide surface precipitates and their effects on potassium sorption

Surface precipitation has been shown to occur on rapid time scales in clay and metal oxide mineral systems. The formation of surface precipitates is hypothesized to present new potential sorption sites for potassium (K), where K can become incorporated into newly formed interlayer spaces (e.g., between tetrahedral–octahedral–tetrahedral stacked sheets). The objective of this study is to determine the effects of newly formed mineral surface precipitates on K sorption. Potassium adsorption experiments were conducted by utilizing Al 2 O 3 and SiO 2 sorbents in the presence of various cations (magnesium, zinc, and nickel) that helped to catalyze the formation of surface precipitates. Dissolved concentrations of elements were monitored via inductively coupled plasma optical emission spectrometry (ICP-OES). Solids were characterized via X-ray diffraction (XRD), and K surface complexation was analyzed via X-ray absorption near edge structure (XANES) spectroscopy. X-ray diffraction analysis indicated bayerite, layered double hydroxides (LDH), and silicated LDH were formed as reaction products, thus creating new surface sites for potential K adsorption. The presence of Si increased K adsorption perhaps due to its role in the formation of LDH surface precipitates. When the differences between observed and theoretical surface area normalized K sorption densities were averaged, a 31% increase in K adsorption was observed in the presence of Si. XANES analysis indicated that the binding mechanism of K to Si is different than that of K to Al, perhaps due to the presence of inner-sphere complexation of K to Al-oxide. Samples reacted for one month versus one week yielded more intense XANES post-edge peaks which indicated that the K sorption complex changes over time. Altogether, our findings provide novel insights into the mechanisms of K fixation in soil and has high implication in providing improved K fertilizer recommendation to growers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Glycerol Adsorption on TiO 2 Surfaces: A Systematic Periodic DFT Study

Abstract Conversion of glycerol to added‐value products is desirable due to its surplus during biodiesel synthesis. TiO 2 has been the most explored catalyst. We performed a systematic study of glycerol adsorption on anatase (101), anatase (001), and rutile (110) TiO 2 at the Density Functional Theory level. We found several adsorption modes on these surfaces, with anatase (101) being the less reactive one, leading to adsorption energies between −0.8 and −0.4 eV, with all adsorptions molecular in nature. On the contrary, anatase (001) is the most reactive surface, leading to both molecular and dissociative adsorption modes, with energies ranging from −4 to −1 eV and undergoing severe surface reconstructions in some cases. Rutile (110) also shows both molecular and dissociative adsorptions, but it is less reactive than anatase (001). Surfaces with oxygen vacancies affects the adsorbed states and energies. The electronic structure analysis reveals that glycerol adsorption mainly affects the band gap of the material and not the individual contributions to the valence and conduction band. Bader charge analysis shows that strong adsorption modes on anatase (001) and rutile (110) are associated with large charge transfer from glycerol to the surface, while weak and molecular adsorption modes involve low charge transfer.

Chemistry↗
DOE OSTI2025

Upconversion of non-recycled MSW paper fractions into biochar via slow pyrolysis and life cycle analysis: Pathways to net negative GHG emission

This study presents an integrated and sustainable approach to valorizing non-recycled municipal solid waste (MSW), a heterogeneous and underutilized waste stream destined for landfilling, by converting it into valuable biochar resources. Specifically, we investigated the upcycling of nonrecycled paper waste based on compositional analysis into four major fractions: high cellulose, high lignin, high contamination, and high ash content papers. These fractions were then homogenized and subjected to slow pyrolysis. The high cellulose fraction (36.1 %) was the most abundant, and contained 66.7 % cellulose, while the high lignin fraction showed the highest lignin (12.1 %) and carbon content (44 %), resulting in highest energy value of 17.4 MJ kg −1 . Biochar yields ranged from 25.6 % to 35.6 %, with the high ash fraction producing the highest yield and alkalinity (pH ≈ 11.2) due to its higher mineral content. Elemental analysis revealed enhanced carbon content up to 76.9 % and reduced oxygen and hydrogen, confirming effective carbonization. The high lignin-derived biochar showed the highest aromatic carbon content (82.8 %) and greater structural stability, while contaminated and ash-rich fractions exhibited dense, low-porosity surfaces due to the presence of contaminants and minerals. Spectroscopic analysis revealed degradation of carbohydrates, disappearance of cellulose peaks and formation of aromatic and mineral derived phases. The scaled life cycle process yielded a global warming potential (GWP) of 119.3 kg CO 2 -eq per ton of dry paper waste, offset by soil carbon sequestration of − 556.41 kg CO 2 -eq, resulting in a net impact of − 427.36 kg CO 2 -eq. This represents a net carbon removal exceeding by ~186 % the emissions associated with landfilling paper waste with electricity generation.

09 BIOMASS FUELS↗