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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,333 records · Page 74

PyJMAK: An Open-Source Python Toolkit for Modeling Solid-State Metallurgical Phase Transformations

Accurate prediction of metallurgical phase transformations is an essential basis for autonomous optimization and rapid part qualification. Several methods can be used to estimate the evolution of phase fractions such as JMAK kinetics-based models, phase-field models, thermodynamic models, and data-driven machine learning models. Thermodynamic and phase-field-based methodologies solve multiphysics equations requiring numerous calibration parameters and significant computational resources. As a result, the computation domain is limited to a point or on order of micron-meters. The data-driven models rely on large datasets from experiments and simulations. While the JMAK model only provides information about phase fraction evolution, it can predict this evolution in near real-time using thermal history and thermodynamic data without restriction on the domain. JMAK models have been popularly used by researchers to model phase transformations occuring during additive manufacturing or over arbitrary temperature profiles. Commercial proprietary software such as Abaqus and Ansys or closed-source in-house implementations offer the ability to model JMAK based kinetics to predict phase transformation. However, these software packages are not open-source or freely available for use and development in conjunction with manufacturing machines, sensors, and machine learning algorithms. In addition, the use of the model is restricted by a license token. In contrast, given temperature profiles at multiple points in the domain, this Python-based PyJMAK model can compute phase evolution in parallel due to its stand-alone modular, voxel-based structure, and it can be executed on high-performance computing resources without any license restrictions.

Prabhune, Bhagya [Oak Ridge National Laboratory (O↗

Characterizing Seasonal Variation of the Atmospheric Mixing Layer Height Using Machine Learning Approaches

As machine learning becomes more integrated into atmospheric science, XGBoost has gained popularity for its ability to assess the relative contributions of influencing factors in the atmospheric boundary layer height. To examine how these factors vary across seasons, a seasonal analysis is necessary. However, dividing data by season reduces the sample size, which can affect result reliability and complicate factor comparisons. To address these challenges, this study replaces default parameters with grid search optimization and incorporates cross-validation to mitigate dataset limitations. Using XGBoost with four years of data from the atmospheric radiation measurement (ARM) (Southern Great Plains (SGP) C1 site, cross-validation stabilizes correlation coefficient fluctuations from 0.3 to within 0.1. With optimized parameters, the R value can reach 0.81. Analysis of the C1 site reveals that the relative importance of different factors changes across seasons. Lower tropospheric stability (LTS, ~0.53) is the dominant factor at C1 throughout the year. However, during DJF, latent heat flux (LHF, 0.44) surpasses LTS (0.22). In SON, LTS (0.58) becomes more influential than LHF (0.18). Further comparisons among the four long-term SGP sites (C1, E32, E37, and E39) show seasonal variations in relative importance. Notably, during JJA, the differences in the relative importance of the three factors across all sites are lower than in other seasons. This suggests that boundary layer development in the summer is not dominated by a single factor, reflecting a more intricate process likely influenced by seasonal conditions such as enhanced convective activity, higher temperatures, and humidity, which collectively contribute to a balanced distribution of parameter impacts. Furthermore, the relative importance of LTS gradually increases from morning to noon, indicating that LTS becomes more significant as the boundary layer approaches its maximum height. Consequently, the LTS in the early morning in autumn exhibits greater relative importance compared to other seasons. This reflects a faster development of the mixing layer height (MLH) in autumn, suggesting that it is easier to retrieve the MLH from the previous day during this period. The findings enhance understanding of boundary layer evolution and contribute to improved boundary layer parameterization.

54 ENVIRONMENTAL SCIENCES↗

In-Pile Irradiation Induced Defects and the Effect on Thermal Diffusivity of MgO

The effects of neutron irradiation temperature and dose on thermal diffusivity are compared between non-irradiated and in-pile irradiated MgO samples. MgO pellets were irradiated in-pile of the Advanced Test Reactor at Idaho National Laboratory. Samples were irradiated at 623 and 973 K to fast neutron fluences of 1 x 1025 (1.5 dpa) and 2 x 1025 n/m2 (3 dpa). Post irradiation examination included X-ray diffraction, scanning electron microscopy, laser flash thermal diffusivity, and transmission electron microscopy. The radiation induced thermophysical and structural evolution of MgO is reported

T. Moorea, Donald↗

Formation and Stability of Radiation Products in Europa's Icy Shell

Spectra of Europa reveal a surface dominated by water-ice along with hydrated materials and minor amounts of SO2, CO2, and H2O2. Jovian magnetospheric ions (protons, sulfur, and oxygen) and electrons produce significant chemical modifications of the surface on time scales of a few years at micrometer depths. Our laboratory studies examine the formation and stability of radiation products in H2O-rich ices relevant to Europa. Infrared (IR) spectra of ices before and after irradiation reveal the radiation destruction of molecules and the formation of products at 86 - 132 K. In addition, spectra of ices during warming track thermal evolution due to chemical changes and sublimation processes. IR-identified radiation products in 86 - 132 K irradiated H2O + SO2 ices are the bisulfate ion, HSO4(-), sulfate ion, SO4(2-) and the hydronium ion, H3O(+). Warming results in the formation of a residual spectrum similar to liquid sulfuric acid, H2SO4, for H2O:SO2 ratios of 30:1, whereas hydrated sulfuric acid, H2SO4 4 H2O, forms for ratios of 30:1. Radiation products identified for irradiated H2O + H2S ices at 86 K are H2S2 and SO2. When irradiated at 110 and 132 K, ices with H2O:H2S ratios if either 3:1 or 30:1 show the formation of H2SO4 4 H2O on warming to 175 K. We have also examined the radiation stability of H2SO4. Addition of CO2 to H2O + SO2 ices results in the formation of CO3 at 2046 cm (sup -1) (4.89 m). This is the strongest band from a carbon-containing product in the mid-IR spectral region, and it is also seen when either pure CO2 or H2O + CO2 ice is irradiated. Experiments with CH4 added to H2O + SO2 + CO2 ices addressed the question of methane's use as a marker of methanogens in an irradiated ice environment. New results on the near-IR spectrum of pure H2O2 will be included in this presentation. Interpretations of near-IR water bands, with H2O2 present, will be discussed. Irradiations of H2O2 and H2O + H2O2 mixtures, to examine the possibility of O2 and O3 formation, are currently under investigation and new results will be discussed.

Moore, M. H.↗

Herschel and the Molecular Universe

Over the next decade, space-based missions will open up the universe to high spatial and spectral resolution studies at infrared and submillimeter wavelengths. This will allow us to study, in much greater detail, the composition and the origin and evolution of molecules in space. Moreover, molecular transitions in these spectral ranges provide a sensitive probe of the dynamics and the physical and chemical conditions in a wide range of objects at scales ranging from budding planetary systems to galactic and extragalactic sizes. Hence, these missions provide us with the tools to study key astrophysical and astrochemical processes involved in the formation and evolution of planets, stars, and galaxies. These new missions can be expected to lead to the detection of many thousands of new spectral features. Identification, analysis and interpretation of these features in terms of the physical and chemical characteristics of the astronomical sources will require detailed astronomical modeling tools supported by laboratory measurements and theoretical studies of chemical reactions and collisional excitation rates on species of astrophysical relevance. These data will have to be made easily accessible to the scientific community through web-based data archives. In this paper, we will review the Herschel mission and its expected impact on our understanding of the molecular universe.

Tielens, A. G. G. M.↗

Modeling of the Ablation of Fibrous Materials in the Knudsen Regime

During atmospheric entry of planetary probes, the thermal protection system (TPS) of the probe is exposed to high temperatures under low pressures. In these conditions, carbonous TPS materials undergo gasification in the Knudsen regime leading to mass loss and wall recession called ablation. This work aims to improve the understanding of materiaVenvironment interactions through a study of the coupling between carbon dioxide transport in the Knudsen regime, heterogeneous oxidation of carbon, and sutface recession. A 3D Monte-Carlo simulation tool is used for this study. The fibrous architecture of the materiils, consisting of high porosity random array of carbon fibers, is numerically reproduced on a 3D Cartesian grid. Mass transport in the Knudsen regime from the boundary layer to the surface, and inside this porous material is simulated by random walk. A reaction probability is used to simulate the heterogeneous oxidation reaction. The surface recession is followed by front tracking using a simplified marching cube approach. The output data of the simulations are ablation velocity and dynamic evolution of the material porosity. A parametric study is carried out to analyze the material behavior as a function of Knudsen number for the porous media (length of the mean free path compared to the mean pore diameter) and the intrinsic reactivity of the carbon fibers. The results enable extrapolation of laboratory experimental data to actual entry conditions.

Lachaud, J.↗

CFD Validation with Experiment and Verification with Physics of a Propellant Damping Device

This paper will document our effort in validating a coupled fluid-structure interaction CFD tool in predicting a damping device performance in the laboratory condition. Consistently good comparisons of "blind" CFD predictions against experimental data under various operation conditions, design parameters, and cryogenic environment will be presented. The power of the coupled CFD-structures interaction code in explaining some unexpected phenomena of the device observed during the technology development will be illustrated. The evolution of the damper device design inside the LOX tank will be used to demonstrate the contribution of the tool in understanding, optimization and implementation of LOX damper in Ares I vehicle. It is due to the present validation effort, the LOX damper technology has matured to TRL 5. The present effort has also contributed to the transition of the technology from an early conceptual observation to the baseline design of thrust oscillation mitigation for the Ares I within a 10 month period.

Yang, H. Q.↗

Evolution of Training in NASA's Mission Operations Directorate

NASA s Mission Operations Directorate provides all the mission planning, training, and operations support for NASA's human spaceflight missions including the International Space Station (ISS) and its fleet of supporting vehicles. MOD also develops and maintains the facilities necessary to conduct training and operations for those missions including the Mission Control Center, Space Station Training Facility, Space Vehicle Mockup Facility, and Neutral Buoyancy Laboratory. MOD's overarching approach to human spaceflight training is to "train like you fly." This approach means not only trying to replicate the operational environment in training but also to approach training with the same mindset as real operations. When in training, this means using the same approach for executing operations, responding to off-nominal situations, and conducting yourself in the operations environment in the same manner as you would for the real vehicle.

Hutt, Jason↗

Cyclic Permeability Evolution During Repose Then Reactivation of Fractures and Faults

Abstract Cyclic growth and decay of permeability in fractures is explored during repeated reactivation and repose of saw‐cut fractures of Green River shale. These slide‐hold‐slide experiments are supported by measurements of fracture normal deformation and optical surface profilometry. Overall, we observe continuous permeability decay during repose (holds) and significant permeability enhancement during slow reactivation (slide). The permeability decay is accompanied by fault compaction. Both hydraulic aperture change (Δ b h ) and measured compaction (Δ b s ) are consistent with time‐dependent power law closure with a power exponent of ~0.2–0.4. These dual compaction magnitudes are positively correlated but Δ b h > Δ b s in late stage holds. Permeability enhancement during reactivation is typically also accompanied by fault dilation. However, we also observe some cases where hydraulic aperture change decouples from the measured deformation, conceivably driven by mobilization of wear products and influenced by the development of flow bottlenecks. Pretest and posttest surface profiles show that the surface topography of the fractures is planed down by shear removal. The shear removal is significant with initial laboratory prepared surface (~10 μm of aperture height) but less significant following consecutive reactivations (~2 μm). The flattened surfaces retain small‐scale, ~10–20 μm wavelength, roughness. Flow simulations, constrained by the surface topography and measured deformation, indicate that small‐scale roughness may control permeability at flow bottlenecks within a dominant flow channel. These results suggest cycles of permeability creation and destruction are an intrinsic component of the natural hydraulic system present in faults and fractures and provide an improved mechanistic understanding of the evolution of permeability during fault repose and reactivation.

Im, Kyungjae↗

NASA’s PACE Ocean Color Instrument Thermal Design Evolution: from Goddard’s Instrument Design Lab through Flight Development

NASA’s Plankton, Aerosol, Cloud, ocean Ecosystem (PACE) mission, set to launch in 2024, seeks to provide data continuity for the ocean color, aerosol and cloud measurements acquired by NASA’s on-orbit Earth Science observatories since the 1990s. It will accomplish this through its Ocean Color Instrument (OCI), an optical spectrometer being developed for hyper-spectral measurements in the ultraviolet-to-near-infrared band between 340 nm and 2260 nm. Although OCI’s instrument architecture will provide greater insight and resolution than its predecessors in this wavelength range, the engineering required to achieve this also poses a greater challenge. In thermal engineering, this translates to a more complex thermal control approach to address high heat dissipations, stringent stabilities, the volume of heat that requires transport, and changing thermal environments due to tilting of the entire instrument ±20° twice per orbit. This current work explores how the PACE OCI instrument design has evolved from its initial conception in NASA Goddard’s Instrument Design Laboratory (IDL) to the current iteration of its flight design. The IDL studies explored three separate instrument configurations and two spatial resolutions per configuration, which were then down selected to a single instrument type and spatial resolution for flight instrument development. OCI subsequently went through major project milestones, including Preliminary Design Review (PDR), Critical Design Review (CDR), Pre-Environmental Review (PER) and Pre-Ship Review (PSR), with significant design updates along the way. This paper aims to provide a comprehensive account of OCI’s thermal control architecture evolution and the engineering drivers that have shaped it, with the goal of identifying trends spanning the full instrument development timeline to inform and advance future instrument thermal designs.

PACE↗

NASA’s PACE Ocean Color Instrument Thermal Design Evolution: from Goddard’s Instrument Design Lab through Flight Development

NASA’s Plankton, Aerosol, Cloud, ocean Ecosystem (PACE) mission, set to launch in 2024, seeks to provide data continuity for the ocean color, aerosol and cloud measurements acquired by NASA’s on-orbit Earth Science observatories since the 1990s. It will accomplish this through its Ocean Color Instrument (OCI), an optical spectrometer being developed for hyper-spectral measurements in the ultraviolet-to-near-infrared band between 340 nm and 2260 nm. Although OCI’s instrument architecture will provide greater insight and resolution than its predecessors in this wavelength range, the engineering required to achieve this also poses a greater challenge. In thermal engineering, this translates to a more complex thermal control approach to address high heat dissipations, stringent stabilities, the volume of heat that requires transport, and changing thermal environments due to tilting of the entire instrument ±20° twice per orbit. This current work explores how the PACE OCI instrument design has evolved from its initial conception in NASA Goddard’s Instrument Design Laboratory (IDL) to the current iteration of its flight design. The IDL studies explored three separate instrument configurations and two spatial resolutions per configuration, which were then down selected to a single instrument type and spatial resolution for flight instrument development. OCI subsequently went through major project milestones, including Preliminary Design Review (PDR), Critical Design Review (CDR), Pre-Environmental Review (PER) and Pre-Ship Review (PSR), with significant design updates along the way. This paper aims to provide a comprehensive account of OCI’s thermal control architecture evolution and the engineering drivers that have shaped it, with the goal of identifying trends spanning the full instrument development timeline to inform and advance future instrument thermal designs.

PACE↗

Heat Transfer from Glass Melt to Cold Cap: Gas Evolution and Foaming

In electric melters, the conversion heat is transferred through the foam layer at the cold cap bottom. Understanding cold cap foaming is thus important for enhancing the efficiency of both commercial and waste glass melters as well as for the development of advanced batch-to-glass conversion models. Observing foam behavior “in-situ” is still impossible, i.e., viewing directly in glass melters. To investigate the feed foaming behavior in laboratory conditions, we employed the feed volume expansion test, evolved gas analysis, and thermogravimetry. Combining these techniques helps assess the cold cap bottom temperature that directly influences the temperature gradient at the melt/cold cap interface, and thus the rate of melting. We also discuss the behavior of cavities formed by coalescing primary foam bubbles and ascending secondary bubbles.

Hrma, Pavel R.↗

Interfacial Properties of Gold and Cobalt Oxyhydroxide in Plasmon-Mediated Oxygen Evolution Reaction

Water electrolysis is one green approach of storing electrical energy within chemical bonds of the high-energy hydrogen gas (H2). The anodic reaction involved in the oxygen evolution reaction (OER) requires high kinetic overpotential on the overall rate of the process. Recently, plasmonic gold nanoparticles (Au NPs) have been added to enhance the charge transfer at the interface of the OER electrocatalysts and electrolyte under light illumination. However, mechanistic understanding of how Au NPs on the photo-assisted electrochemical process is still lacking. We applied a model system of plasmonic Au electrode and a cobalt (Co)-based OER electrocatalyst in alkaline electrolytes to investigate the plasmon-mediated OER process with (photo)electrochemical and spectroscopic studies. Our results demonstrated that the electrodeposited and surfactant-free plasmonic Au electrode could enhance the electrocatalytic performances of the Co-based electrocatalysts in the OER process with continuous visible and near infrared light illumination. Both the photothermal and energetic charge carriers were found to contribute to the enhanced OER performance based on the transient photocurrent studies, and the interfaces of Au and the Co-based electrocatalysts determined the enhancement mechanisms. The active phase of the cobalt based OER electrocatalyst at operating potentials was identified with electrochemical Raman measurements.

OER↗

Evolution of Size and Chemical Composition of Copper Concentrate Particles Oxidized Under Simulated Flash Smelting Conditions

An experimental study was conducted to elucidate the evolution of size and chemical composition of La Caridad copper concentrate particles during oxidation under simulated flash smelting conditions. Input variables tested included particle size and oxygen concentration in the process gas. The response variables included the size distributions, chemical composition, and morphology of the reacted particles at seven locations along a laboratory reactor. Particles with initial size < 45 µm contained mostly chalcopyrite, they increased their mean size and decreased the amount of dust in the population during oxidation. This was explained by a reaction path involving rapid melting followed by collision and coalescence of reacting droplets during flight. Particles with sizes > 45 µm contained varying amounts of chalcopyrite and pyrite, and tended to either maintain or decrease their mean size upon oxidation. When size reduction was observed, dust was produced because of fragmentation, and the particles showed no evidence of collisions during flight. The main oxidation products detected in the particles consisted of matte, cuprospinel, and magnetite. A plot of the mean size divided by the mean size in the feed against the fraction of sulfur eliminated generalized the experimental data so far reported in the literature, and helped identify the reaction path followed by the particles.

36 MATERIALS SCIENCE↗

Direct prediction of saturated neoclassical tearing modes in slab using an equilibrium approach

We demonstrate for the first time that the nonlinear saturation of neoclassical tearing modes (NTMs) can be found directly using a variational principle based on Taylor relaxation, without needing to simulate the intermediate, resistivity-dependent dynamics. As in previous investigations of classical tearing mode saturation (Loizu et al 2020 Phys. Plasmas 27 070701; Loizu and Bonfiglio 2023 J. Plasma Phys. 89 905890507), we make use of Stepped Pressure Equilibrium Code (SPEC) (Hudson et al 2012 Phys. Plasmas 19 112502), an equilibrium solver based on the variational principle of the multi-region relaxed magnetohydrodynamics (MHDs), featuring stepped pressure profiles and arbitrary magnetic topology. We work in slab geometry and employ a simple bootstrap current model J bs = C$\boldsymbol{\nabla}$p to study the bootstrap-driven tearing modes, scanning over the asymptotic matching parameter Δ' and bootstrap current strength. Saturated island widths produced by SPEC agree well with the predictions of an initial value resistive MHDs code (Huang and Bhattacharjee 2016 Astrophys. J. 818 20) while being orders of magnitude faster to calculate. Additionally, we observe good agreement with a simple analytical modified Rutherford equation, without requiring any fitting coefficients. The match is obtained for both linearly unstable classical tearing modes in the presence of bootstrap current, and NTMs, which are linearly stable but nonlinear-unstable due to the effects of the bootstrap current.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

M4SF-20LL010301042: Updated Thermodynamic Database for Use in Generic Disposal System Assessment

This progress report (Level 4 Milestone Number M4SF-20LL010301042) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Argillite Activity Number SF-20LL010301041. LLNL is leading efforts in the development of thermodynamic databases in support of the Spent Fuel and Waste Science Technology (SFWST) program. Thermodynamic models provide the basis for understanding the stability of solid phases and speciation of aqueous species and modeling the evolution of repository conditions. The LLNL effort is being performed in coordination with other US database development efforts. The effort includes a review of available thermochemical databases and a path forward for database integration. International coordination with the NEA-TDB is supported through crystalline international work package.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Potential Academic Research Topics of National Security Relevance

Since even before its establishment as an independent national security laboratory in 1949, Sandia has been devoted to an overarching mission of developing advanced technologies for global peace. These technologies have taken a variety of forms, and they exist in and must address an ever-changing global security environment. An understanding of that global security environment and its possible or likely evolution is therefore critical to ensuring that Sandia can maintain its focus on strategic technology investments that will benefit the nation in the next 20- 30 years. Sandia sustains multiple Systems Analysis organizations whose responsibility includes maintaining an understanding of the global security environment as it applies across multiple mission domains. The topics below include two from Sandia's emerging threats and biodefense mission, three with relevance to Sandia's cyber defense mission, and four of particular but not exclusive relevance to Sandia's nuclear deterrence mission. All are intended to spur independent academic thought that could assist Sandia as well as the broader national security community in anticipating and adapting to a continually changing world. Sandia anticipates periodic interactions between Sandia Systems Analysis staff and SciPol Scholars Program faculty and students who choose to expand upon these topics in order to provide opportunities for feedback and communication throughout 2020-2021.

54 ENVIRONMENTAL SCIENCES↗

SUPCRTNE Thermodynamic Database Engine

This progress report (Level 4 Milestone Number M4SF-21LL010301052) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Argillite Activity Number SF-21LL01030105. LLNL is leading efforts in the development of thermodynamic databases in support of the Spent Fuel and Waste Science Technology (SFWST) program. Thermodynamic models provide the basis for understanding the stability of solid phases and speciation of aqueous species and modeling the evolution of repository conditions. The LLNL effort is being performed in coordination with other US database development efforts. The effort includes a review of available thermochemical databases and a path forward for database integration. International coordination with the NEA-TDB is supported through crystalline international work package.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗