Results for “zone refining” — Page 13

NASA NTRS1993

A solution-adaptive hybrid-grid method for the unsteady analysis of turbomachinery

A solution-adaptive method for the time-accurate analysis of two-dimensional flows in turbomachinery is described. The method employs a hybrid structured-unstructured zonal grid topology in conjunction with appropriate modeling equations and solution techniques in each zone. The viscous flow region in the immediate vicinity of the airfoils is resolved on structured O-type grids while the rest of the domain is discretized using an unstructured mesh of triangular cells. Implicit, third-order accurate, upwind solutions of the Navier-Stokes equations are obtained in the inner regions. In the outer regions, the Euler equations are solved using an explicit upwind scheme that incorporates a second-order reconstruction procedure. An efficient and robust grid adaptation strategy, including both grid refinement and coarsening capabilities, is developed for the unstructured grid regions. Grid adaptation is also employed to facilitate information transfer at the interfaces between unstructured grids in relative motion. Results for grid adaptation to various features pertinent to turbomachinery flows are presented. Good comparisons between the present results and experimental measurements and earlier structured-grid results are obtained.

Mathur, Sanjay R.↗

DOE OSTI2022

Investigating coastal backwater effects and flooding in the coastal zone using a global river transport model on an unstructured mesh

Abstract. Coastal backwater effects are caused by the downstream water level increase as a result of elevated sea level, high river discharge and their compounding influence. Such effects have crucial impacts on floods in densely populated regions but have not been well represented in large-scale river models used in Earth system models (ESMs), partly due to model mesh deficiency and oversimplifications of river hydrodynamics. Using two mid-Atlantic river basins as a testbed, we perform the first attempt to simulate the backwater effects comprehensively over a coastal region using the MOSART river transport model under an ESM framework, i.e., Energy Exascale Earth System Model (E3SM) configured on a regionally refined unstructured mesh, with a focus on understanding the backwater drivers and their long-term variations. By including sea level variations at the river downstream boundary, the model performance in capturing backwaters is greatly improved. We also propose a new flood event selection scheme to facilitate the decomposition of backwater drivers into different components. Our results show that while storm surge is a key driver, the influence of extreme discharge cannot be neglected, particularly when the river drains to a narrow river-like estuary. Compound flooding, while not necessarily increasing the flood peaks, exacerbates the flood risk by extending the duration of multiple coastal and fluvial processes. Furthermore, our simulations and analysis highlight the increasing strength of backwater effects due to sea level rise and more frequent storm surge during 1990–2019. Thus, backwaters need to be properly represented in ESMs to improve the predictive understanding of coastal flooding.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

3D Multiresolution Velocity Model Fusion with Probability Graphical Models

ABSTRACT The variability in spatial resolution of seismic velocity models obtained via tomographic methodologies is attributed to many factors, including inversion strategies, ray-path coverage, and data integrity. Integration of such models, with distinct resolutions, is crucial during the refinement of community models, thereby enhancing the precision of ground-motion simulations. Toward this goal, we introduce the probability graphical model (PGM), combining velocity models with heterogeneous resolutions and nonuniform data point distributions. The PGM integrates data relations across varying resolution subdomains, enhancing detail within low-resolution (LR) domains by utilizing information and prior knowledge from high-resolution (HR) subdomains through a maximum posterior problem. Assessment of efficacy, utilizing both 2D and 3D velocity models—consisting of synthetic checkerboard models and a fault-zone model from Ridgecrest, California—demonstrates noteworthy improvements in accuracy, compared to state-of-the-art fusion techniques. Specifically, we find reductions of 30% and 44% in computed travel-time residuals for 2D and 3D models, respectively, as compared to conventional smoothing techniques. Unlike conventional methods, the PGM’s adaptive weight selection facilitates preserving and learning details from complex, nonuniform HR models and applies the enhancements to the LR background domain.

Geochemistry & Geophysics↗

NASA NTRS1977

The design of an Fe-12Mn-O.2Ti alloy steel for low temperature use

An investigation was made to improve the low temperature mechanical properties of Fe-8 approximately 12% Mn-O 2Ti alloy steels. A two-phase(alpha + gamma) tempering in combination with cold working or hot working was identified as an effective treatment. A potential application as a Ni-free cryogenic steel was shown for this alloy. It was also shown that an Fe-8Mn steel could be grain-refined by a purely thermal treatment because of its dislocated martensitic structure and absence of epsilon phase. A significant reduction of the ductile-brittle transition temperature was obtained in this alloy. The nature and origin of brittle fracture in Fe-Mn alloys were also investigated. Two embrittling regions were found in a cooling curve of an Fe-12Mn-O 2Ti steel which was shown to be responsible for intergranular fracture. Auger electron spectroscopy identified no segregation during solution-annealing treatment. Avoiding the embrittling zones by controlled cooling led to a high cryogenic toughness in a solution-annealed condition.

Hwang, S. K.↗

NASA NTRS2001

The Role of Mesoscale Variability on Plankton Dynamics in the North Atlantic

The intensive field observational phase of JGOFS in the North Atlantic Ocean has shown the importance of oceanic mesoscale variability on biogeochemical cycles and on the strength of the ocean biological pump. Mesoscale physical dynamics govern the major time/space scales of bulk biological variability (biomass, production, and export). Mesoscale eddies seem to have a strong impact on the ecosystem structure and functioning, but observational evidence is rather limited. For the signature of the mesoscale features to exist in the ecosystem, the comparison of temporal scales of formation and evolution of mesoscale features and reaction of the ecosystem is a key factor. Biological patterns are driven by active changes in biological source and sink terms rather than simply by passive turbulent mixing. A first modelling assessment of the regional balances between horizontal and vertical eddy-induced nutrient supplies in the euphotic zone shows that the horizontal transport predominates over the vertical route in the subtropical gyre, whereas the reverse holds true for the other biogeochemical provinces of the North Atlantic. Presently, despite some difference in numbers, the net impact of modelled eddies yields an enhancement of the biological productivity in most provinces of the North Atlantic Ocean. Key issues remaining include variation on the mesoscale of subsurface particle and dissolved organic matter remineralization, improved knowledge of the ecological response to patterns of variability, synopticity in mesoscale surveys along with refining measures of biogeochemical time/space variability. Eventual success of assimilation of in situ and satellite data, still in its infancy in coupled physical/biogeochemical models, will be crucial to achieve JGOFS synthesis in answering which data are most informative, standing stocks or rates, and which ones are relevant. Depending on which end of the spectrum quantification of the effect of mesoscale features on production and community structure is required, complementary strategies are offered. Either one may choose to increase resolution of models up to the very fine mesoscale features scale (a few kms) for the high end, or to include a parametric representation of eddies for the low end.

Garcon, Veronique C.↗

NASA NTRS2002

The Role of Mesoscale Variability on Plankton Dynamics in the North Atlantic

The intensive field observational phase of JGOFS in the North Atlantic Ocean has shown the importance of oceanic mesoscale variability on biogeochemical cycles and on the strength of the ocean biological pump. Mesoscale physical dynamics govern the major time/space scales of bulk biological variability (biomass, production and export). Mesoscale eddies seem to have a strong impact on the ecosystem structure and functioning, but observational evidence is rather limited. For the signature of the mesoscale features to exist in the ecosystem, the comparison of temporal scales of formation and evolution of mesoscale features and reaction of the ecosystem is a key factor. Biological patterns are driven by active changes in biological source and sink terms rather than simply by passive turbulent mixing. A first modelling assessment of the regional balances between horizontal and vertical eddy-induced nutrient supplies in the euphotic zone shows that the horizontal transport predominates over the vertical route in the subtropical gyre, whereas the reverse holds true for the other biogeochemical provinces of the North Atlantic. Presently. despite some difference in numbers, the net impact of modelled eddies yields an enhancement of the biological productivity in most provinces of the North Atlantic Ocean. Key issues remaining include variation on the mesoscale of subsurface particle and dissolved organic matter remineralization, improved knowledge of the ecological response to patterns of variability, synopticity in mesoscale surveys along with refining measures of biogeochemical time/space variability. Eventual success of assimilation of in situ and satellite data, still in its infancy in coupled physical/biogeochemical models, will be crucial to achieve JGOFS synthesis in answering which data are most informative, standing stocks or rates, and which ones are relevant. Depending on which end of the spectrum quantification of the effect of mesoscale features on production and community structure is required, complementary strategies are offered. Either one may choose to increase resolution of models up to the very fine mesoscale features scale (a few kms) for the high end, or to include a parametric representation of eddies for the low end.

Garcon, Veronique, C.↗

DOE OSTI2022

(Towards) DNS of a Laboratory Lean CH4/H2 Low-Swirl Flame Impinging on an Inclined Wall

Due to downsizing trends, flame-wall interaction (FWI) is increasingly prominent in gas turbines (GTs). FWI has direct consequences on flame stabilization and pollutant emissions, but it is not well understood in turbulent flows representative of GTs. We present results from a direct numerical simulation (DNS) of a turbulent CH4/H2 model GT low-swirl laboratory-scale flame interacting with an inclined wall. The results from the laboratory flame include simultaneous measurements of velocity using stereo particle imaging velocimetry and OHxCH2O planar laser induced fluorescence. The adaptive-mesh refinement solver PeleLMeX is used, with 24-species, 105-reaction reduced Aramco chemical kinetics mechanism. The premixed fuel-air mixture consists of hydrogen-enriched methane with 70% hydrogen volume fraction and 0.4 equivalence ratio. The inflow is prescribed to match experimental measurements at the burner exit. Karlovitz and turbulent Reynolds numbers are 300 and 400, respectively. The simulation and experimental results show excellent agreement. The flame features a bowl-shape stabilization, with a corrugated, continuous flame front at the leading edge, followed by fragmented reaction zones downstream. A large diffuse cloud of CH2O is formed downstream of the quenching point. The simulation results indicate that the cloud of CH2O is the result of incomplete methane combustion, with CH2O "leaking" from the locally quenched reaction zones.The DNS provides fine-grain resolution of turbulence-flame-wall interaction that cannot be captured with experimental measurements. With access to the entire solution vector at each cell of the computational domain, the local quenching.

flame-wall interactions↗

NASA NTRS1992

Integrating remote sensing techniques at Cuprite, Nevada: AVIRIS, Thematic Mapper, and field spectroscopy

The Cuprite mining district in southwestern Nevada has become a test site for remote sensing studies with numerous airborne scanners and ground sensor data sets collected over the past fifteen years. Structurally, the Cuprite region can be divided into two areas with slightly different alteration and mineralogy. These zones lie on either side of a postulated low-angle structural discontinuity that strikes nearly parallel to US Route 95. Hydrothermal alternation at Cuprite was classified into three major zones: silicified, opalized, and argillized. These alteration types form a bulls-eye pattern east of the highway and are more linear on the west side of the highway making a striking contrast from the air and the imagery. Cuprite is therefore an ideal location for remote sensing research as it exhibits easily identified hydrothermal zoning, is relatively devoid of vegetation, and contains a distinctive spectrally diagnostic mineral suite including the ammonium feldspar buddingtonite, several types of alunite, different jarosites, illite, kaolinite, smectite, dickite, and opal. This present study brings a new dimension to these previous remote sensing and ground data sets compiled for Cuprite. The development of a higher resolution field spectrometer now provides the capability to combine extensive in-situ mineralogical data with a new geologic field survey and detailed Airborne Visible/Infrared Imaging Spectrometers (AVIRIS) images. The various data collection methods and the refinement of the integrated techniques are discussed.

Hill, Bradley↗

DOE OSTI2026

Hydrogeological assessment of CO2 containment assurance and wellbore integrity at a Gulf Coast storage site

Abstract A large-scale carbon capture and storage (CCS) initiative on the Texas Gulf Coast serves as a premier demonstration of the U.S. Department of Energy’s CarbonSAFE program. Targeting deep saline formations, specifically Oligo-Miocene deltaic sequences, the project aims to establish technical and commercial viability for geologic CO2 storage within a major industrial corridor. This study provides a rigorous hydrogeological assessment to support Class VI permitting by quantifying the high degree of containment security. Utilizing a compositional reservoir simulator, we developed a suite of 27 distinct simulation cases to evaluate vertical plume dynamics near both planned injection wells and proximal legacy infrastructure. To ensure numerical accuracy near wellbores, we implemented a refined mesh strategy, determining that a 5.6 ft × 5.6 ft grid refinement offered the optimal balance between computational efficiency and descriptive precision. The modeling framework utilized a systematic sensitivity-based approach to evaluate the mechanical redundancy of the subsurface system by performing a bounding analysis of wellbore interfaces against hypothetical high-permeability microannuli. By systematically isolating competing physical drivers, including permeability, porosity, gas hysteresis, thermal gradients, salinity, and solubility trapping (quantified via Henry’s law with dynamically adjusted coefficients), this work moves beyond binary assessments to establish a nuanced hierarchy of containment factors. The results confirm that primary trapping mechanisms (e.g., gas hysteresis and solubility), combined with the site's unique geomechanical stratigraphy, significantly restrict vertical mobility and reinforce the robust containment security of the reservoir. Baseline results demonstrate substantial vertical separation between the CO2 plume and the upper confining system, ensuring robust containment. Sensitivity analysis reveals that even under highly conservative bounding scenarios—assuming theoretical 10-Darcy pathways at specific wellbore locations—the 2,900-ft thick multi-layered confining zone remains a reliable barrier. In these hypothetical upper-bound cases, peak upward fluxes of CO2 and saltwater after 15 years of injection remain localized and dissipate rapidly within the lower sections of the confining interval, leaving the integrity of the seal uncompromised. Furthermore, the study identifies that while localized wellbore pathways define theoretical upper bounds of vertical migration, the Area of Review (AoR) is primarily sensitive to regional thermal gradients and hysteresis, which can influence the AoR by over 3,000 acres in pessimistic configurations. Also, primary trapping mechanisms, specifically gas hysteresis and solubility, work in tandem with the Gulf Coast’s unique geomechanical stratigraphy to significantly restrict vertical mobility. Ductile, smectite-rich mudstones facilitate natural borehole convergence and the self-healing of potential conduits, creating a natural geomechanical bridge that effectively mitigates migration potential at both current injection points and legacy-well locations. This comprehensive modeling effort demonstrates that the integration of high-resolution wellbore simulations and regional geomechanical observations confirms the long-term storage security of the studied site, providing a physics-based foundation for industrial-scale CCS deployments. This modeling framework establishes a baseline for future research into coupled geomechanical effects, such as time-dependent borehole convergence, to further refine long-term containment projections. Acknowledgements We thank the Gulf Coast Carbon Center (GCCC) at the Bureau of Economic Geology for foundational research support. We appreciate Alex Bump for technical guidance and David Hoffman for model mesh generation. This work used TACC’s Frontera cluster for simulations and CMG Ltd. software licenses provided to UT-Austin. This material is based upon work supported by the Department of Energy under Award Number DE-FE0032338. Disclaimer This material is based upon work supported by the U.S. Department of Energy’s Fossil Energy and Carbon Management Office under the CarbonSAFE program, award Number DE-FE0032338. The views expressed herein do not necessarily represent the views of the U.S. Department of Energy or the United States Government.

58 GEOSCIENCES↗

DOE OSTI2026

Hydrogeological assessment of CO2 containment assurance and wellbore integrity at a Gulf Coast storage site

Abstract A large-scale carbon capture and storage (CCS) initiative on the Texas Gulf Coast serves as a premier demonstration of the U.S. Department of Energy’s CarbonSAFE program. Targeting deep saline formations, specifically Oligo-Miocene deltaic sequences, the project aims to establish technical and commercial viability for geologic CO2 storage within a major industrial corridor. This study provides a rigorous hydrogeological assessment to support Class VI permitting by quantifying the high degree of containment security. Utilizing a compositional reservoir simulator, we developed a suite of 27 distinct simulation cases to evaluate vertical plume dynamics near both planned injection wells and proximal legacy infrastructure. To ensure numerical accuracy near wellbores, we implemented a refined mesh strategy, determining that a 5.6 ft × 5.6 ft grid refinement offered the optimal balance between computational efficiency and descriptive precision. The modeling framework utilized a systematic sensitivity-based approach to evaluate the mechanical redundancy of the subsurface system by performing a bounding analysis of wellbore interfaces against hypothetical high-permeability microannuli. By systematically isolating competing physical drivers, including permeability, porosity, gas hysteresis, thermal gradients, salinity, and solubility trapping (quantified via Henry’s law with dynamically adjusted coefficients), this work moves beyond binary assessments to establish a nuanced hierarchy of containment factors. The results confirm that primary trapping mechanisms (e.g., gas hysteresis and solubility), combined with the site's unique geomechanical stratigraphy, significantly restrict vertical mobility and reinforce the robust containment security of the reservoir. Baseline results demonstrate substantial vertical separation between the CO2 plume and the upper confining system, ensuring robust containment. Sensitivity analysis reveals that even under highly conservative bounding scenarios—assuming theoretical 10-Darcy pathways at specific wellbore locations—the 2,900-ft thick multi-layered confining zone remains a reliable barrier. In these hypothetical upper-bound cases, peak upward fluxes of CO2 and saltwater after 15 years of injection remain localized and dissipate rapidly within the lower sections of the confining interval, leaving the integrity of the seal uncompromised. Furthermore, the study identifies that while localized wellbore pathways define theoretical upper bounds of vertical migration, the Area of Review (AoR) is primarily sensitive to regional thermal gradients and hysteresis, which can influence the AoR by over 3,000 acres in pessimistic configurations. Also, primary trapping mechanisms, specifically gas hysteresis and solubility, work in tandem with the Gulf Coast’s unique geomechanical stratigraphy to significantly restrict vertical mobility. Ductile, smectite-rich mudstones facilitate natural borehole convergence and the self-healing of potential conduits, creating a natural geomechanical bridge that effectively mitigates migration potential at both current injection points and legacy-well locations. This comprehensive modeling effort demonstrates that the integration of high-resolution wellbore simulations and regional geomechanical observations confirms the long-term storage security of the studied site, providing a physics-based foundation for industrial-scale CCS deployments. This modeling framework establishes a baseline for future research into coupled geomechanical effects, such as time-dependent borehole convergence, to further refine long-term containment projections. Acknowledgements We thank the Gulf Coast Carbon Center (GCCC) at the Bureau of Economic Geology for foundational research support. We appreciate Alex Bump for technical guidance and David Hoffman for model mesh generation. This work used TACC’s Frontera cluster for simulations and CMG Ltd. software licenses provided to UT-Austin. This material is based upon work supported by the Department of Energy under Award Number DE-FE0032338. Disclaimer This material is based upon work supported by the U.S. Department of Energy’s Fossil Energy and Carbon Management Office under the CarbonSAFE program, award Number DE-FE0032338. The views expressed herein do not necessarily represent the views of the U.S. Department of Energy or the United States Government.

58 GEOSCIENCES↗

DOE OSTI2021

Fleetite, Cu 2 RhIrSb 2 , a New Species of Platinum-Group Mineral from the Miass Placer Zone, Southern Urals, Russia

Fleetite, Cu 2 RhIrSb 2 , a new species of platinum-group mineral (PGM), was discovered intergrown with an Os–Ir–Ru alloy in the Miass Placer Zone (Au–PGE), southern Urals, Russia. A single grain 50 μm across was found. Osmium, ruthenium, and iridium are the main associated minerals; also present are Pt–Fe alloys, laurite, Sb-rich irarsite, Rh-rich tolovkite, kashinite, anduoite, ferronickelplatinum, heazlewoodite, PGE-bearing pentlandite and digenite, as well as micrometric inclusions of forsterite (Fo 93.7 ), chromite–magnesiochromite, and Mg-rich edenite. In reflected light, fleetite is light gray; it is opaque, isotropic, non-pleochroic, and non-bireflectant. We report reflectance values measured in air. A mean of seven point-analyses (wavelength-dispersive spectrometry) gave Cu 13.93, Ni 8.60, Fe 0.10, Ir 28.07, Rh 7.91, Ru 1.96, Sb 39.28, total 99.85 wt.%, corresponding to (Cu 1.41 Ni 0.58 Fe 0.01 ) Σ2.00 (Rh 0.49 Ni 0.36 Ru 0.12 ) Σ0.97 Ir 0.95 Sb 2.08 on the basis of six atoms per formula unit, taking into account the structural results. The calculated density is 10.83 g/cm 3 . Single-crystal X-ray studies show that fleetite is cubic, space group Fdm (#227), a = 11.6682(8) Å, V = 1588.59(19) Å 3 , and Z = 16. A least-squares refinement of X-ray powder-diffraction data gave a = 11.6575(5) Å and V = 1584.22(19) Å 3 . The strongest five reflections in the powder pattern [d in Å(I)(hkl)] are: 6.70(75)(111), 4.13(100)(220), 3.52(30)(311), 2.380(50)(422), 2.064(40)(440). Results of synchrotron micro-Laue diffraction experiments are consistent [a = 11.66(2) Å]. The crystal structure of fleetite was solved and refined to R = 0.0340 based upon 153 reflections with F o > 4σ(F o ). It is isotypic with Pd 11 Bi 2 Se 2 and best described as intermetallic, with all metal atoms in 12-fold coordination. Fleetite and other late exotic phases were formed by reaction of the associated alloy phases with a fluid phase enriched in Sb, As, and S in circulation in the cooling ophiolite source-rock. The mineral is named after Michael E. Fleet (1938–2017) in recognition of his significant contributions to the Earth Sciences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Force reduction of friction stir welding and processing of steel

Friction stir welding and processing (FSW&P) is considered as a new fabrication method for canisters and repair of existing dry cask storage system canisters (generally made of austenitic stainless steel). Low heat input compared to fusion joining processes and grain refinement associated with low-temperature FSW&P result in a material with improved mechanical properties and equivalent generalized corrosion performance relative to the base metal. But FSW&P of austenitic stainless steel requires significant tool forge axis force to produce a weld (or a run). Exploratory runs utilizing forge axis force control were conducted to investigate the minimum force required to achieve defect-free runs. The correlation between forge axis force and resultant plunge depth was also investigated. Furthermore, detailed microstructural characterization was conducted to display the microstructural variation within the nugget zone.

36 MATERIALS SCIENCE↗

NASA NTRS1973

Identification, definition and mapping of terrestrial ecosystems in interior Alaska

The author has identified the following significant results. The vegetation map in preparation at the time of the last report was refined and labeled. This map is presented as an indication of the spatial and classificatory detail possible from interpretations of enlarged ERTS-1 color photographs. Using this map, areas covered by the several vegetation types characterized by white spruce were determined by planimetry. A 1:63,360 scale land use map of the Juneau area was drawn. This map incorporates the land use classification system now under development by the U.S. Geological Survey. The ERTS-1 images used in making the Juneau map were used to determine changes in surface area of the terminal zones of advancing and receding glaciers, the Taku, Norris, and Mendenhall. A new 1:63,360 scale land use map of the Bonanza Creek Experimental Forest and vicinity was drawn. Several excellent new sciences of test areas were received from NASA in color-infrared transparency format. These are being used for making photographic prints for analysis and mapping according to procedures outlined in this report.

Anderson, J. H.↗

DOE OSTI2025

Multiphysics Meshfree Degradation Modeling of Energy Storage Materials with Kernel Enrichment

Energy storage materials exhibit strong electro-chemo-mechanical coupling and highly anisotropic material properties, contributing to the formation and propagation of micro-cracking during charge/discharge cycling and ultimately diminishing performance and service life. With microstructural images supplied by the National Renewable Energy Laboratory (NREL), pixel-based meshfree model construction by the reproducing kernel particle method (RKPM) is used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electro-chemo-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in meshing such complex geometries and capturing crack propagation due to mesh dependency. The first kernel enrichment discussed will be the interface modified reproducing kernel (IM-RK) [1, 2], constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. The IM-RK is especially useful for areas in which a known discontinuity-type is expected a priori. The second kernel enrichment to be discussed is a neural network-enhanced reproducing kernel (NN-RK) [3, 4], which is introduced to effectively model non-obvious damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. NN-RK is additionally used to inform how crack opening and closure in turn affect the electro-chemo-mechanical responses in the material microstructure. Reference: [1] Wang, Y., Baek, J., Tang, Y. et al. "Support vector machine guided reproducing kernel particle method for image-based modeling of microstructures," Comput Mech 73, 907-942 (2024). https://doi.org/10.1007/s00466-023-02394-9. [2] Susuki, K., Allen, J. & Chen, J. S.. "Image-based modeling of coupled electro-chemo-mechanical behavior of Li-ion battery cathode using an interface-modified reproducing kernel particle method," Engineering with Computers (2024). https://doi.org/10.1007/s00366-024-02016-9. [3] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, 4422-4454 (2022). https://doi.org/10.1002/nme.7040.

25 ENERGY STORAGE↗

DOE OSTI2026

Kernel Enriched Meshfree Multiphysics Degradation Modeling of Energy Storage Materials

Energy storage materials exhibit strong electro-chemo-mechanical coupling and highly anisotropic material properties, contributing to the formation and propagation of micro-cracking during charge/discharge cycling and ultimately diminishing performance and service life. With microstructural images supplied by the National Laboratory of the Rockies (NLR), pixel-based meshfree model construction by the reproducing kernel particle method (RKPM) is used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electro-chemo-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in meshing such complex geometries and capturing crack propagation due to mesh dependency. The first kernel enrichment discussed will be the interface modified reproducing kernel (IM-RK) [1, 2], constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. The IM-RK is especially useful for areas in which a known discontinuity-type is expected a priori. The second kernel enrichment to be discussed is a neural network-enhanced reproducing kernel (NN-RK) [3, 4], which is introduced to effectively model non-obvious damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. NN-RK is additionally used to inform how crack opening and closure in turn affect the electro-chemo-mechanical responses in the material microstructure. References: [1] Wang, Y., Baek, J., Tang, Y. et al. "Support vector machine guided reproducing kernel particle method for image-based modeling of microstructures," Comput Mech 73, 907-942 (2024). https://doi.org/10.1007/s00466-023-02394-9. [2] Susuki, K., Allen, J. & Chen, J. S.. "Image-based modeling of coupled electro-chemo-mechanical behavior of Li-ion battery cathode using an interface-modified reproducing kernel particle method," Engineering with Computers (2024). https://doi.org/10.1007/s00366-024-02016-9. [3] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, 4422-4454 (2022). https://doi.org/10.1002/nme.7040.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

OC7 phase I: Toward practical sea-state-dependent modeling of hydrodynamic viscous drag and damping

Here, this article presents a collaborative research campaign under the OC7 project on refining the engineering modeling approach for hydrodynamic viscous drag and damping on floating wind platforms, focusing on the adjustment of hydrodynamic drag and damping coefficients for different sea states. The participant simulation results show significant improvements over the previous OC6 project in predicting the low-frequency resonance motion under nonoperational conditions. The improvements are mainly due to enhanced modeling, including the adoption of wave stretching, and directly tuning the coefficients to measured platform motion in waves instead of free decay. For accurate predictions of mean- and slow-drift motion, the better performing models use a decreasing column splash zone drag coefficient and increasing surge damping/drag with increasing wave height. The model tuning for heave and pitch resonance shows less consistency. Generally, both quadratic drag and additional heave or pitch damping are needed for accurate predictions. Alternatively, a quadratic drag formulation with velocity filtering for the rectangular pontoons leads to improved predictions without additional damping. This model is also potentially more predictive, requiring minimal adjustment to its parameters for different conditions.

17 WIND ENERGY↗

DOE OSTI2020

A Warm Jupiter Transiting an M Dwarf: A TESS Single-transit Event Confirmed with the Habitable-zone Planet Finder

We confirm the planetary nature of a warm Jupiter transiting the early M dwarf TOI-1899 using a combination of available TESS photometry; high-precision, near-infrared spectroscopy with the Habitable-zone Planet Finder; and speckle and adaptive optics imaging. The data reveal a transiting companion on an ∼29 day orbit with a mass and radius of 0.66±0.07 M{sub J} and 1.15{sub −0.05}{sup +0.04} R{sub J}, respectively. The star, TOI-1899, is the lowest-mass star known to host a transiting warm Jupiter, and we discuss the follow-up opportunities afforded by a warm (T{sub eq}∼362 K) gas giant orbiting an M0 star. Our observations reveal that TOI-1899.01 is a puffy warm Jupiter, and we suggest additional transit observations to both refine the orbit and constrain the true dilution observed in TESS.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

In Situ Prediction of Microstructure and Mechanical Properties in Laser-Remelted Al-Si Alloys: Towards Enhanced Additive Manufacturing

Laser surface remelting of aluminum alloys has emerged as a promising technique to enhance mechanical properties through refined microstructures. This process involves rapid cooling rates ranging from 10 3 to 10 8 °C/s, which increase solid solubility within aluminum alloys, shifting their eutectic composition to a larger value of silicon content. Consequently, the resulting microstructure combines a strengthened aluminum matrix with silicon fibers. This study focuses on the laser scanning of Al-Si aluminum alloy to reduce the size of aluminum matrix spacings and transform fibrous silicon particles from micrometer to nanometer dimensions. Analysis revealed that the eutectic structure contained 17.55% silicon by weight, surpassing the equilibrium eutectic composition of 12.6% silicon. Microstructure dimensions within the molten zones, termed ‘melt pools’, were extensively examined using Scanning Electron Microscopy (SEM) at intervals of approximately 20 μm from the surface. A notable increase in hardness, exceeding 50% compared to the base plate, was observed in the melt pool regions. Thus, it is exemplified that laser surface remelting introduces a novel strengthening mechanism in the alloy. Moreover, this study develops an in situ method for predicting melt pool properties and dimensions. A predictive model is proposed, correlating energy density and spectral signals emitted during laser remelting with mechanical properties and melt pool dimensions. This method significantly reduces characterization time from days to seconds, offering a streamlined approach for future studies in additive manufacturing.

36 MATERIALS SCIENCE↗