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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Robust Containment Queries over Collections of Trimmed NURBS Surfaces via Generalized Winding Numbers

Here, we propose a containment query that is robust to the watertightness of regions bound by trimmed NURBS surfaces, as this property is difficult to guarantee for in-the-wild CAD models. Containment is determined through the generalized winding number (GWN), a mathematical construction that is indifferent to the arrangement of surfaces in the shape. Applying contemporary techniques for the 3D GWN to trimmed NURBS surfaces requires some form of geometric discretization, introducing computational inefficiency to the algorithm and even risking containment misclassifications near the surface. In contrast, our proposed method leverages properties of the 3D solid angle to solve the relevant surface integral using a boundary formulation with rapidly converging adaptive quadrature. Batches of queries are further accelerated by memoizing (i.e., caching and reusing) quadrature node positions and tangents as they are evaluated. We demonstrate that our GWN method is robust to complex trimming geometry in a CAD model, and is accurate up to arbitrary precision at arbitrary distances from the surface. The derived containment query is therefore robust to model non-watertightness while respecting all curved features of the input shape.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Water Ingress Testing of Commercially Available Containers for the TA-55 Criticality Safety Program

This memorandum outlines the water ingress test results for several commercially available container types that are advertised as “leak tight” but need to be tested to the water resistant criteria set forth by the TA-55 Criticality Safety Program. The usage of SAVY-4000 containers as water resistant containers inside gloveboxes, although allowed, is expensive, ergonomically challenging, and could be avoided if there is a commercial alternative that meets the water ingress criterion. The contents of this document are strictly for TA55 Criticality Safety Requirements (PA-RD01009), and it is not to be used to assign a damage ratio for the reduction of material at risk or implementation in the documented safety analysis. The NMCC will proceed as identified under PA-DOP-0091, and will be invoked as the review and approval control regarding usage of these containers in the facility.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2019

Pressurizing Hagan and SAVY containers to 30-psig (air) to measure the release of analytical cerium oxide test powder

The need to pressure-test known nuclear material storage containers has been made apparent by the CSE (cognizant systems engineer) assigned to containers at TA-55. The main goal of the current study is to understand the behavior of the SAVY-4000 and Hagan containers during an internal pressurization (30 psig) event. The experiments incorporated a nominal mass of 100 g of CeO 2 (cerium oxide) powder to simulate MAR (material at risk) conditions. For the experimental results with mass losses of 0.0±0.1 g mass loss), using ASME error analysis, there is a total expanded uncertainty in a 95% confidence interval (±0.25 g) for the tested SAVY-4000 and Hagan containers. For purposes of conservatism, this has been rounded upward to yield a bounding value for the damage ratio DR = 0.003 = 0.3%.

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

Docker Containers for MCNP ® Development

Containers are a revolutionary technology in software development and deployment that provides a lightweight, portable environment for ensuring consistency across multiple computing environments. In anticipation of the MCNP 6.3.1 release, two Docker container images have been released on DockerHub for general use. The MCNP source code is not included in the images, and users are still required to obtain it through RSICC. The images produced by Docker are compliant with the OCI (Open Container Initiative) standards, ensuring compatibility with other container engines such as Podman or Kubernetes’ CRI-O. Initially, the images are stored under the author’s personal space on DockerHub (docker.io/azukaitis), but they will be relocated to a dedicated MCNP group space once approved. In the future, they will also be available through the registry feature of the https://github.com/lanl/mcnp-containers project. The use of Docker provides a pre-configured environment for building and running MCNP, ensuring reproducibility of results across various host architectures. This significantly improves consistency when running MCNP on different systems. Notably, executables and installers from the Docker images have successfully passed the MCNP development branch testing suite on x86-64 architectures, including Windows, macOS, and Linux operating systems. Furthermore, testing has demonstrated compatibility with macOS Docker in emulation mode on the latest Apple Mac M2 Ultra hardware, ensuring robust support even on the latest platforms. In this document, we will provide a step-by-step guide to using the Docker images across multiple platforms. Additionally, we will present performance numbers for building and running the MCNP test suite.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Criteria for Retention of 3013 S1 Containers Based on Relative Risk and Expert Judgment

An evaluation was performed to assess the suitability of thirty-three 3013 containers proposed for retention. These containers have moisture levels greater than 0.08 wt.% – the S1 population. The remainder of the S1 population stored at SRS will be down blended and disposed of by the end of 2028. Based on field surveillance and shelf-life data available to date as well as informed technical judgment, no container is currently expected to fail in its 50-year storage period. However, corrosion risk varies across the S1 population. Relative risks were evaluated using predicted Consensus Scores and their 95% Upper Prediction Limits (UPLs). The predicted values are based on a statistical model of Consensus Score as a function of moisture, chloride, and whether the packaged material was electrorefining scrap packaged at Hanford. Consensus Score has been shown to be a useful indicator of corrosion potential, and the UPL captures uncertainty in the model predictions, providing a conservative indicator of corrosion potential. Using UPLs to determine relative risks, together with expert review, three containers were identified as not suitable for retention, and the remainder were determined to be suitable.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2013

Development and Testing of Techniques for In-Ground Stabilization, Size Reduction and Safe Removal of Radioactive Wastes Stored in Large Containments in Burial Grounds - 13591

Radioactive waste materials, including Transuranic (TRU) wastes from laboratories have been stored below ground in large containments at a number of sites in the US DOE Complex, and at nuclear sites in Europe. These containments are generally referred to as caissons or shafts. The containments are in a range of sizes and depths below grade. The caissons at the DOE's Hanford site are cylindrical, of the order of 2,500 mm in diameter, 3,050 mm in height and are buried about 6,000 mm below grade. One type of caisson is made out of corrugated pipe, whereas others are made of concrete with standard re-bar. However, the larger shafts in the UK are of the order of 4,600 mm in diameter, 53,500 mm deep, and 12,000 below grade. This paper describes the R and D work and testing activities performed to date to evaluate the concept of in-ground size reduction and stabilization of the contents of large containments similar to those at Hanford. In practice, the height of the Test Facility provided for a test cell that was approximately 22' deep. That prevented a 'full scale mockup' test in the sense that the Hanford Caisson configuration would be an identical replication. Therefore, the project was conducted in two phases. The first phase tested a simulated Caisson with surrogate contents, and part of a Chute section, and the second phase tested a full chute section. These tests were performed at VJ Technologies Test Facility located in East Haven, CT, as part of the Proof of Design Concept program for studying the feasibility of an in-situ grout/grind/mix/stabilize technology for the remediation of four caissons at the 618-11 Burial Ground at US Department of Energy Hanford Site. The test site was constructed such that multiple testing areas were provided for the evaluation of various tools, equipment and procedures under conditions that simulated the Hanford site, with representative soils and layout dimensions. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

A prototype scintillating-fibre tracker for the cosmic-ray muon tomography of legacy nuclear waste containers

A prototype scintillating-fibre detector system has been developed at the University of Glasgow in collaboration with the UK National Nuclear Laboratory (NNL) for the nondestructive assay of UK legacy nuclear waste containers. This system consists of two tracking modules above, and two below, the container under interrogation. Each module consists of two orthogonal planes of 2 mm-pitch fibres yielding one space point. Per plane, 128 fibres are read out by a single Hamamatsu H8500 64-channel MAPMT with two fibres multiplexed onto each pixel. A dedicated mapping scheme has been developed to avoid space point ambiguities and retain the high spatial resolution provided by the fibres. The configuration allows the reconstruction of the incoming and scattered muon trajectories, thus enabling the container content, with respect to atomic number Z, to be determined. Results are shown from experimental data collected for high-Z objects within an air matrix and, for the first time, within a shielded, concrete-filled container. These reconstructed images show clear discrimination between the low, medium and high-Z materials present, with dimensions and positions determined with sub-centimetre precision. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Assessing High-energy, Laser-driven, X-ray Sources as a Technique to Analyse ILW Containers - 18242

The principle concern regarding intermediate level waste (ILW) containers is the internal volumetric expansion due to the formation of corrosion products. To tackle this (via non-destructive testing) the development of a new technique to identify problematic containers was initiated by radiographic imaging and neutron assay of small scale, simulated, nuclear waste packages. This was achieved using a high-energy laser pulse to produce a bright burst of high-energy Bremsstrahlung radiation for imaging and a pulse of thermal energy neutrons for isotopic quantification. The small scale, simulated, nuclear waste packages (typically a quarter of a 28 mm natural uranium penny encased in grout) were produced with corrosion from oxygen and hydrogen rich environments to simulate the potential effects of long term storage. These samples were characterised using electron and ion beam techniques prior to encapsulation to establish the extent of corrosion and sample morphology. The small-scale samples were analysed using high-resolution x-ray tomography (XRT). These 3D pictures identified the corrosion state of the material and the effect on the surrounding grout matrix. These data sets were used as a baseline to compare with the 2D images obtained from the high-energy radiography to ascertain the imaging quality and potential capability of a laser driven inspection system. The study established the non-destructive imaging capability of a high-energy laser driven x-ray source for identifying fine features such as corrosion products on uranium samples encased in grout and cracks, and for penetrative imaging through large thicknesses of grout. In addition, generation of laser-driven neutrons of thermal energy required for active interrogation of uranium isotopes is demonstrated experimentally and simulations of the neutron inspection method are presented, thus paving the way for criticality testing of ILW containers. This current study is single pulse exposure acquisition, but the data can be used to predict the potential capability of a diode-pumped laser-driven system operating at, or above, 10 Hz by utilising, for example, the Dipole laser technology recently delivered by the STFC Central Laser Facility. Such a system will enable 3D tomography of nuclear waste containers and also greatly reduced signal to noise ratio via multiple acquisition and image stacking. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Maximum Inner Container Dose Rate That Will Ensure Meeting Regulatory Limit at Package Surface - 19206

Often, the shipper of radioactive material does not know the exact radioactive isotopic composition of the materials that need to be shipped. This is especially important for legacy materials that need to be removed from a site that is in the process of being decommissioned. A method of determining the acceptability of such material for shipment before it is placed in into the shipping package will allow more flexibility in planning for decommissioning activities. A series of Monte-Carlo calculations were performed to calculate the dose rate at the surface of a convenience container or a shielding pig separately and then at the surface of a new shipping package being designed by the Savannah River National Laboratory (SRNL). The purpose of these calculations is to determine the maximum dose rate at the surface of the convenience container or the shielded pig that will ensure the dose rate at the outer surface the shipping package is less that the regulatory limit of 2 mSv/h. The calculations also considered the effect of shape of the radioactive material and its possible movement inside the convenience container along with movement of the convenience container inside the confinement vessel of the shipping package. (authors)

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

Increased Static Charge–Induced Threshold Voltage Shifts and Memristor Activity in Pentacene OFETs Comprising Polystyrene–Based Gate Dielectrics Containing Electroactive Small Molecule Crystallites

Top-contact bottom-gate pentacene OFETs are fabricated with single layer dielectrics comprised of either polystyrene (PS), poly(4-methylstyrene) (P4MS), or poly(4-tert-butylstyrene) (P4TBS). The polystyrenes are blended with varying concentrations of two different small molecules, dibenzotetrathiafulvalene (DBTTF) and 2,8-difluoro-5,11-bis(triethylsilylethynyl)anthradithiophene (diF-TES-ADT), to form small, separated crystallites contained throughout the polymer dielectric layer. The OFET characteristics of these devices are investigated and their threshold voltage shifts are measured after –70 V static charging for 5 min. Two-terminal measurements are conducted using multiple different gate biases in the range of –50 to +50 V to investigate memristor behavior in the devices. OFETs containing DBTTF exhibited ΔVth increases as large as 330% relative to control OFETs containing no DBTTF, while OFETs containing at least 7.5 wt.% DBTTF exhibited memristor activity, with currents ranging from 20 nA to 44 µA depending on the applied bias. Furthermore, this work demonstrates that including small, separated crystallites in polymer dielectrics enhances their charge storage ability and can be promising for creating nonbinary memory devices for data processing. Additionally, the observed memristor activity indicates the OFETs in this work can be used in development of neuromorphic systems that aim to mimic the synaptic behavior of the human nervous system.

25 ENERGY STORAGE↗
DOE OSTI2017

Complete carbon analysis of sulfur-containing mixtures using postcolumn reaction and flame ionization detection

Quantitative analysis of complex mixtures containing hundreds-to-thousands of organic compounds rich in heteroatoms, including oxygen, sulfur, and nitrogen, is a major challenge in the fuel, food, and chemical industries. In this work, a two-stage (oxidation and methanation) catalytic process in a 3-D–printed metal microreactor was evaluated for its capability to convert sulfur-containing organic compounds to methane. The microreactor was inserted into a gas chromatograph between the capillary column and flame ionization detector. Catalytic conversion of all sulfur-containing analytes to methane enabled carbon quantification without calibration, by the method identified as “quantitative carbon detection” or QCD. Quantification of tetrahydrothiophene, dimethyl sulfoxide, diethyl sulfide, and thiophene indicated complete conversion to methane at 450°C. Long-term performance of a commercial microreactor was evaluated for 2000 consecutive injections of sulfur-containing organic analytes. The sulfur processing capacity of the microreactor was identified experimentally, after which reduced conversion to methane was observed.

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

Organizing thermodynamic data obtained from multicomponent polymer electrolytes: Salt-containing polymer blends and block copolymers

The objective of this review is to organize literature data on the thermodynamic properties of salt-containing polystyrene/poly(ethylene oxide) (PS/PEO) blends and polystyrene-b-poly(ethylene oxide) (SEO) diblock copolymers. These systems are of interest due to their potential to serve as electrolytes in all-solid rechargeable lithium batteries. Mean-field theories, developed for pure polymer blends and block copolymers, are used to describe phenomenon seen in salt-containing systems. An effective Flory–Huggins interaction parameter, χ eff , that increases linearly with salt concentration is used to describe the effect of salt addition for both blends and block copolymers. Segregation strength, χ eff N, where N is the chain length of the homopolymers or block copolymers, is used to map phase behavior of salty systems as a function of composition. Domain spacing of salt-containing block copolymers is normalized to account for the effect of copolymer composition using an expression obtained in the weak segregation limit. The phase behavior of salty blends, salty block copolymers, and domain spacings of the latter systems, are presented as a function of chain length, composition and salt concentration on universal plots. Finally, while the proposed framework has limitations, the universal plots should serve as a starting point for organizing data from other salt-containing polymer mixtures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Superior Performance of a Lithium-Sulfur Battery Enabled by a Dimethyl Trisulfide Containing Electrolyte

The lithium-sulfur (Li-S) battery offers a high theoretical energy density of ≈2600 Wh/kg -1 and low cost, positioning it as a promising candidate for next-generation battery technology. However, problems including disastrous Li polysulfides dissolution and irreversible Li 2 S deposition have severely retarded the development of Li-S batteries. To solve these issues, we recently reported a functional dimethyl disulfide (DMDS)-containing electrolyte that promoted an alternate electrochemical reaction pathway for sulfur cathodes by a formation of dimethyl polysulfides and Li organosulfides as intermediates and reduction products, leading to significantly boosted Li-S cell capacity with improved cycling reversibility and stability. Here in this work, dimethyl trisulfide (DMTS), a primary discharge-charge intermediate in the DMDS-containing electrolyte, which is also a commercially available reagent, was further investigated as a co-solvent in functional electrolytes for Li-S batteries. Due to the higher theoretical capacity of DMTS and its better reactivity with Li 2 S than DMDS, a 25 vol% DMTS-containing electrolyte enables Li-S batteries with even higher cell capacity and improved cycling performance than using previous optimal 50 vol% DMDS-containing electrolyte.

25 ENERGY STORAGE↗
DOE OSTI2018

Interface Analyses Between a Case-Hardened Ingot Casting Steel and Carbon-Containing and Carbon-Free Refractories

Corrosion tests of carbon-free and carbon-containing refractories were performed. The carbon-free crucibles corroded, whereas the carbon-containing crucibles were negligibly attacked. On them, inclusions were attached. This study investigates melt oxygen contents, interface properties, and steel compositions with their non-metallic inclusions in order to explore the inclusion formation and deposition mechanisms. The carbon-free crucibles were based on alumina, mullite, and zirconia- and titania-doped alumina (AZT). The carbon-containing (-C) ones were alumina-C and AZT-C. Furthermore, nanoscaled carbon and alumina additives (-n) were applied in an AZT-C-n material. In the crucibles, the case-hardened steel 17CrNiMo7-6 was remelted at 1580 °C. It was observed that the melt and steel oxygen contents were higher for the tests in the carbon-free crucibles. Into these crucibles, the deoxidizing alloying elements Mn and Si diffused. Reducing contents of deoxidizing elements resulted in higher steel oxygen levels and less inclusions, mainly of the inclusion group SiO 2 -core-MnS-shell (2.5 to 8 μm). These developed from smaller SiO 2 nuclei. The inclusion amount in the steel was highest after remelting in AZT-C-n for 30 minutes but decreased strongly with increasing remelting time (60 minutes) due to inclusions’ deposition on the refractory surface. The Ti from the AZT and the nanoadditives supported inclusion growth and deposition. Other inclusion groups were alumina and calcium aluminate inclusions. Their contents were high after remelting in carbon- or AZT-containing crucibles but generally decreased during remelting. On the AZT-C-n crucible, a dense layer formed from vitreous compositions including Al, Ca, Mg, Si, and Ti. To summarize, for reducing forming inclusion amounts, mullite is recommended as refractory material. For capturing formed inclusions, AZT-C-n showed a high potential.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Formation Mechanisms and Leachability of Hexavalent Chromium in Cr{sub 2}O{sub 3}-Containing Refractory Castables of Electric Arc Furnace Cover

Cr (III)-containing refractories are widely used as electric-arc furnace cover because of their excellent corrosion resistance properties. However, the formation of hexavalent chromium [Cr(VI)] remains a matter of concern during the service and subsequent disposal of the spent refractories. Moreover, the Cr(VI) formation mechanism and total amount of Cr(VI) generated are not clearly understood. In this study, samples from different parts of a spent electric arc furnace cover were collected from a local integrated steel plant. The phase composition, microstructure, formation and leachability of Cr(VI) were investigated using X-ray photoelectron spectroscopy, X-ray diffraction, scanning electron microscopy with energy dispersive X-ray spectroscopy, and TRGS 613 leaching test (Technische Regeln für Gefahrstoffe-TRGS 613-October 2002)/multiple leaching tests. A Cr(VI)-containing phase namely CaCrO{sub 4} existed in the sample at a medium temperature range, while another Cr(VI)-containing phase namely hauyne (Ca{sub 4}Al{sub 6}CrO{sub 16}) and a Cr(III)-containing phase (Al{sub 2}O{sub 3}–Cr{sub 2}O{sub 3} solid solution) formed in the high temperature region. Concentrations of Cr(VI) in the leachates (as in the TRGS 613 procedure) exceeded the European permissible limit. During the leaching tests in an acid condition, Cr(VI) was reduced by Fe{sup 2+}, which was primarily derived from the dissolution of FeO in the samples, while more Cr(VI) leached out with distilled water. Formation of an Al{sub 2}O{sub 3}–Cr{sub 2}O{sub 3} solid solution can inhibit Cr(VI) generation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Pitting Corrosion of Supermartensitic Stainless Steel in Chloride Solutions Containing Thiosulfate or H{sub 2}S

Deepwater oil and gas extraction environment have high salinity, low oxygen content, and the presence of carbon dioxide and hydrogen sulfide (H{sub 2}S). Handling of H{sub 2}S-containing gaseous mixtures should be carried out in laboratories with special installations, owing to the high toxicity of this gas. An alternative is the use of non-toxic substances that can generate H{sub 2}S in the medium, such as sodium thiosulfate. The objective of this work is to study the viability of substituting H{sub 2}S by thiosulfate for the evaluation of the susceptibility to pitting corrosion in sour environments of the supermartensitic stainless steel (SMSS). The electrochemical behavior of SMSS in NACE TM0177-2016 solution C solution containing different concentrations of H{sub 2}S or thiosulfate ions at 10{sup −3} mol/L was performed by using cyclic potentiodynamic polarization (CPP). The condition of shorter OCP time (300 s) prevents the formation of a passive layer and allows the generation of H{sub 2}S due to the reaction of the solution with the metal surface. The CPP curves of SMSS in the media containing 3% H{sub 2}S/Ar (2.96 kPa) and 10{sup −3} M of thiosulfate ions (OCP 300 s) were similar, the pitting potential was about − 322.5 ± 8.7 and − 338.8 ± 11.4 mV{sub Ag/AgCl}, respectively, and the pit morphology showed several small pits on the steel surface in both conditions, suggesting the viability of the use of thiosulfate-containing brines to simulate H{sub 2}S solutions.

36 MATERIALS SCIENCE↗
DOE OSTI2019

The Anodic Role of Ni-Containing LPSO Phases During the Microgalvanic Corrosion of Mg{sub 98}Gd{sub 1.5}Ni{sub 0.5} Alloy

In the present study, the corrosion characteristics of cast Mg{sub 98}Gd{sub 1.5}Ni{sub 0.5} alloy with Ni-containing long-period stacking ordered (LPSO) structures were investigated. The results reveal that the Ni-containing LPSO phases were more active than the Mg matrix and preferentially eroded during the immersion process. This behavior indicates that the Ni-containing LPSO phases could have acted as microanodes, in contrast to the cathodic role of the Ni-free LPSO phases in other Mg alloys. Furthermore, the potential difference of approximately 600 mV between the phases accelerated the dissolution rate of the LPSO phase. Corrosion of the Mg matrix also occurred due to the inhomogeneous microstructure of the matrix. The synergetic corrosion between the Ni-containing LPSO phases and the enrichment of Cl{sup −} in the thick corrosion product films dominated the propagation of corrosion, which substantially deteriorated the corrosion resistance and accelerated the corrosion process of the Mg{sub 98}Gd{sub 1.5}Ni{sub 0.5} alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Fe-containing phases in hydrated cements

In this study synchrotron X-ray absorption spectroscopy (XAS) has been applied, an element specific technique which allows Fe-containing phases to be identified in the complex mineral mixture of hydrated cements. Several Fe species contributed to the overall Fe K-edge spectra recorded on the cement samples. In the early stage of cement hydration ferrite was the dominant Fe-containing mineral. Ferrihydrite was detected during the first hours of the hydration process. After 1 day the formation of Al- and Fe-siliceous hydrogarnet was observed, while the amount of ferrihydrite decreased. The latter finding agrees with thermodynamic modeling, which predicts the formation of Fe-siliceous hydrogarnet in Portland cement systems. The presence of Al- and Fe-containing siliceous hydrogarnet was further substantiated in the residue of hydrated cement by performing a selective dissolution procedure. - Highlights: • Fe bound to ferrihydrite at early age hydration • Fe found to be stable in siliceous hydrogarnet at longer term age hydration • Fe-containing AFt and AFm phases are less stable than siliceous hydrogarnet. • The study demonstrates EXAFS used to identify amorphous or poorly crystalline phases.

36 MATERIALS SCIENCE↗