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At least 1,189 records · Page 66

Deriving a Suite of Climate Data Records from 21-years of Sounder Observations

Two retrieval algorithms, a Single Field-of-view Sounder Atmospheric Product (SiFSAP) Level 2 algorithm and a Climate Fingerprinting Sounder Product (ClimFiSP) Level 3 algorithm, have been developed at NASA Langley Research Center. In this presentation, we will demonstrate the radiance closure build into these two algorithms. This is possible due to the use of a principal-component-based radiative transfer model (PCRTM). The PCRTM enables the inclusion of all available spectral information from hyperspectral IR sounders. It also has fast and accurate capability of modeling observed cloudy radiance spectra directly. The SiFSAP, which fits sounder radiance spectra using PCRTM as forward model and an optimal estimation as inverse model, has 3-times higher spatial resolution and 9-times denser data products comparing to current NASA and NOAA operational IR sounder products. With great support from NASA sounder SIPS, the SiFSAP algorithm has been delivered to NASA GES DISC for L2 and L3 data generation and releasing. The ClimFiSP uses a spectral fingerprinting method to directly generate L3 data products from spatiotemporally averaged L1 data. The goal of ClimFiSP is to generate high-quality climate data records (CDRs) from multiple IR sounders (e.g. Aqua AIRS, SNPP CrIS, NOAA-20 and NOAA-21 CrIS) using a consistent retrieval methodology. Using CHIRP L1 data, we have generated 20-years of CDRs for atmospheric temperature, water vapor, and trace gas profiles, as well as cloud and surface properties. The algorithm will be transitioned to Sounder SIPS soon and eventually to NASA GES DISC.

Xu Liu↗

Verification and Validation of a Conceptual Model of the Auto-Rigging Payload Handling and Off-Loading System Using LEGO Technic System and Three-Dimensional Printed Parts

A conceptual model (CM) can be used to validate a concept in modeling and simulation life cycles. During the 2020-2022 Coronavirus disease 2019 (COVID-19) pandemic, for employee safety NASA implemented center closures and mandatory telework for the entire workforce. During this challenging time, engineers and researchers at NASA Langley Research Center (LaRC) looked for safe and innovative approaches and methods to continue the development of CMs for various projects. Engineers and researchers at LaRC researched Auto-Rigging Payload Handling and Off-Loading System (ARPHOLS) for payload handing and off-loading a system on an inclined lunar lander deck. In this paper, the development of a CM and the verification and validation of a conceptual idea for ARPHOLS using a LEGO Technic system and three-dimensional printed parts is presented.

Payload offloading↗

Development of a One-Domain Volume-Averaged Navier–Stokes Solver

The interaction between a high-enthalpy flow and a thermal protection material is inherently multiscale and multiphysics. In conventional aerothermal analyses, the external flow and material response are generally modeled using separate computational domains coupled through boundary conditions at the material surface. Although this approach has supported many practical applications, it requires assumptions about the location and behavior of the interface and may become difficult to apply when material decomposition, internal reactions, and surface recession substantially alter the porous structure. This report presents the development of a one-domain formulation in which the free-fluid and porous-material regions are represented within a single computational domain. The formulation is based on the volume-averaged Navier–Stokes (VANS) equations, derived from the governing equations for reacting, compressible flow and condensed material. Volume averaging transfers the influence of the unresolved material microstructure to the macroscale equations through effective transport properties, interfacial source terms, and dispersion fluxes. Particular attention is given to regions in which porosity and permeability vary rapidly, including the diffuse transition between a porous material and the surrounding fluid. The resulting equations are implemented in the Porous-material Analysis Toolbox based on OpenFOAM (PATO). The report describes the pressure–velocity coupling strategy used by the solver, examines spatial filtering techniques for deriving effective properties, and evaluates the influence of a smoothly varying interface permeability. Numerical demonstrations include canonical porous-flow configurations, a flow-tube configuration representative of FiberForm® permeability experiments, and the oxidation of a porous carbon material. The purpose of this work is to establish a mathematical and computational foundation for a unified treatment of flow and thermal protection material response. The present formulation is intended to support the progressive inclusion of additional physical processes, including multicomponent transport, finite-rate gas–surface chemistry, pyrolysis, internal oxidation, and material recession. It also provides a framework for connecting pore-scale simulations and microstructural characterization with macroscale aerothermal-response calculations. This report is intended for researchers and engineers working in computational fluid dynamics, porous-media transport, material response, and thermal protection system modeling. It documents both the theoretical development and the initial numerical assessment of the one-domain approach, while identifying the closure of effective and dispersion terms as an important subject for continued investigation.

Ablation↗

A finite-element-based perturbation model for the rotordynamic analysis of shrouded pump impellers: Part 2: User's guide

This report describes the computational steps involved in executing a finite-element-based perturbation model for computing the rotor dynamic coefficients of a shrouded pump impeller or a simple seal. These arise from the fluid/rotor interaction in the clearance gap. In addition to the sample cases, the computational procedure also applies to a separate category of problems referred to as the 'seal-like' category. The problem, in this case, concerns a shrouded impeller, with the exception that the secondary, or leakage, passage is totally isolated from the primary-flow passage. The difference between this and the pump problem is that the former is analytically of the simple 'seal-like' configuration, with two (inlet and exit) flow-permeable stations, while the latter constitutes a double-entry / double-discharge flow problem. In all cases, the problem is that of a rotor clearance gap. The problem here is that of a rotor excitation in the form of a cylindrical whirl around the housing centerline for a smooth annular seal. In its centered operation mode, the rotor is assumed to give rise to an axisymmetric flow field in the clearance gap. As a result, problems involving longitudinal or helical grooves, in the rotor or housing surfaces, go beyond the code capabilities. Discarding, for the moment, the pre- and post-processing phases, the bulk of the computational procedure consists of two main steps. The first is aimed at producing the axisymmetric 'zeroth-order' flow solution in the given flow domain. Detailed description of this problem, including the flow-governing equations, turbulence closure, boundary conditions, and the finite-element formulation, was covered by Baskharone and Hensel. The second main step is where the perturbation model is implemented, with the input being the centered-rotor 'zeroth-order' flow solution and a prescribed whirl frequency ratio (whirl frequency divided by the impeller speed). The computational domain, in the latter case, is treated as three dimensional, with the number of computational planes in the circumferential direction being specified a priori. The reader is reminded that the deformations in the finite elements are all infinitesimally small because the rotor eccentricity itself is a virtual displacement. This explains why we have generically termed the perturbation model the 'virtually' deformable finite-element category. The primary outcome of implementing the perturbation model is the tangential and radial components, F(sub theta)(sup *) and F(sub r)(sup *) of the fluid-exerted force on the rotor surface due to the whirling motion. Repetitive execution of the perturbation model subprogram over a sufficient range of whirl frequency ratios, and subsequent interpolation of these fluid forces, using the least-square method, finally enable the user to compute the impeller rotor dynamic coefficients of the fluid/rotor interaction. These are the direct and cross-coupled stiffness, damping, and inertia effects of the fluid/rotor interaction.

Baskharone, Erian A.↗

Combined effects of horizontal and vertical resolution on reliable turbulence prediction at tidal energy sites: A systematic study in the Salish Sea, WA

Predicting turbulence characteristics with coastal ocean models is essential for tidal energy converter deployment. While large eddy simulation provides a detailed turbulence representation, computational limitations restrict its use to smaller domains. We systematically evaluate whether well-configured coastal models can provide reliable turbulence prediction through progressive refinement of 3D model representation. We implemented four model configurations (Levels 1–4) using terrain-following coordinates, isolating the impacts of horizontal resolution, vertical resolution, and layer distribution. We validated all configurations against field measurements from the Salish Sea, WA. Results show that tidal current velocity predictions remain unchanged regarding model configuration, but turbulence properties are sensitive to resolution refinement. Increasing vertical resolution alone proved insufficient; even with vertical sigma-levels rising from 11 to 41, significant underprediction persisted until finer horizontal resolution better captured bathymetric variations. The Level 4 configuration, incorporating geometric sigma-levels distribution, achieved turbulence prediction skill scores exceeding 0.90. Turbulence closure comparison revealed Mellor- Yamada 2.5 outperformed k-epsilon in TKE prediction (skill scores 0.84–0.94 versus 0.72–0.81) due to better boundary layer parameterization. This study shows that well-configured coastal models effectively bridge the gap between simplified tools and costly high-fidelity modeling, offering the tidal energy industry practical and cost-effective turbulence data at commercially relevant scales.

Marine Energy↗

Model for human use of motion cues in vehicular control

A feedback model for human use of motion cues in tracking and regulation tasks is offered. The motion cue model is developed as a simple extension of a structural model of the human pilot, although other equivalent dynamic representations of the pilot could be used in place of the structural model. In the structural model,it is hypothesized that proprioceptive cues and an internal representation of the vehicle dynamics allow the human to create compensation characteristics that are appropriate for the dynamics of the particular vehicle being controlled. It is shown that an additional loop closure involving motion feedback can improve the pilot/vehicle dynamics by decreasing high-frequency phase lags in the effective open-loop system transfer function. Data from a roll-attitude tracking/regulation task conducted on a moving base simulator are used to verify the modeling approach.

Hess, Ronald A.↗

A Kinematically Consistent Two-Point Correlation Function

A simple kinematically consistent expression for the longitudinal two-point correlation function related to both the integral length scale and the Taylor microscale is obtained. On the inner scale, in a region of width inversely proportional to the turbulent Reynolds number, the function has the appropriate curvature at the origin. The expression for two-point correlation is related to the nonlinear cascade rate, or dissipation epsilon, a quantity that is carried as part of a typical single-point turbulence closure simulation. Constructing an expression for the two-point correlation whose curvature at the origin is the Taylor microscale incorporates one of the fundamental quantities characterizing turbulence, epsilon, into a model for the two-point correlation function. The integral of the function also gives, as is required, an outer integral length scale of the turbulence independent of viscosity. The proposed expression is obtained by kinematic arguments; the intention is to produce a practically applicable expression in terms of simple elementary functions that allow an analytical evaluation, by asymptotic methods, of diverse functionals relevant to single-point turbulence closures. Using the expression devised an example of the asymptotic method by which functionals of the two-point correlation can be evaluated is given.

Ristorcelli, J. R.↗

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↗

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↗

Development of a Conditioned System-Level Groundwater Model to Evaluate Long-Term Groundwater Impacts within a Performance Assessment - 20115

A preliminary performance assessment (PA) of single-shell tank Waste Management Area (WMA) A-AX located at the U.S. Department of Energy (DOE)'s Hanford Site in southeastern Washington is being conducted to satisfy the requirements of DOE Order 435.1 [1] as it relates to closure of the single-shell radioactive waste tanks in the WMA A-AX tank farms. A PA assesses the fate, transport, and impacts of radionuclides within a low-level radioactive waste disposal facility in its assumed closure configuration and the subsequent potential doses to humans over a 1,000-year compliance period and a 10,000-year performance evaluation period. The WMA A-AX preliminary PA evaluation is structured around the complementary use of process-level and system-level models to calculate the facility performance against established DOE Order 435.1 [1] performance objectives. Process-level models are those that represent a detailed phenomenological representation of processes of concern in the PA. Process models typically only represent one or a few of the components of the PA, such as groundwater flow and transport, and must be integrated with other modeling elements to perform PA calculations. System-level models are those that are abstracted from the process models, retaining the essential features of the process model, while allowing integration of all aspects of the PA in a single modeling framework. System-level models are often characterized by coarser numerical discretization, lower dimensionality, or other similar simplifications compared to the process-level model. Traditionally, a three-dimensional (3-D) process-level model is utilized primarily to evaluate the long-term impact on groundwater and the potential doses to individuals who consume contaminated groundwater. System-level models are also utilized to evaluate the groundwater pathway in PAs. These models typically have reduced dimensionality (1-D) and are conditioned utilizing flow fields (Darcy fluxes) and moisture content distributions that are abstracted from the process level models. The abstraction approach assures that the flow field in both models is consistent for a specific set of input parameters for flow, differing only in the discretization and dimensionality of the two models. The preliminary WMA A-AX PA incorporates a detailed representation of the geological system and hydraulic properties within the 3-D model STOMP{sup C} numerical code so that the effects of relevant features and processes on water flow and radionuclide transport in the subsurface can be evaluated. The complementary system-level model is developed utilizing the GoldSim{sup C} code to implement a simplified, 1-D equivalent model to represent the groundwater pathway. Contaminant transport through the vadose zone and unconfined aquifer for Tc-99 and I-129 were evaluated in each of the models. Adjustments to the saturated portion of the GoldSim{sup C} 1-D model were required to mimic the dispersion effect captured with the 3-D STOMP{sup C} model. Once this conditioning was conducted, highly similar results for the transport of Tc-99 and I-129 were achieved at the point of calculation, located 100 m downgradient from the WMA A-AX fenceline. These radionuclides represent elements that are regarded as primary dose drivers in the PA groundwater pathway analysis. The high degree of conformance between the two models suggests that the use of the equivalent 1-D system model is suitable for evaluating the full suite of radionuclides that will be released from the tank sources within WMA A-AX over the 1,000-year compliance period and over the 10,000-year evaluation period. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Adaptive Site Management Strategies for the Hanford Central Plateau Groundwater

Adaptive site management (ASM) is a systematic and iterative management approach that can be used to expedite the remediation of large and/or complex sites. ASM is defined as a formal and systematic project or site management approach centered on rigorous site planning and a firm understanding of site conditions and uncertainties, using science and technology to routinely re-evaluate and prioritize site remedial actions and characterization activities. The goal of the approach is to create a framework of structured and continuous planning, implementation, and assessment processes that accommodates new information and changing site conditions to develop effective and efficient cleanup approaches that achieves the required outcome(s) while optimizing costs, cleanup timeframe, and performance. Central to ASM is an evolving conceptual site model (CSM). Over time, incremental reductions in uncertainty associated with the CSM will occur, while supporting continued progress toward site cleanup and closure through remedy optimization and evaluation. ASM has the potential to expedite cleanup for the Central Plateau area at Hanford through a planned and systematic approach for reducing uncertainty with targeted characterization activities, while continuing remediation activities that advance cleanup for key risk-driving contaminants. A core component of cleanup within the Central Plateau is the 200 West Pump-and-Treat (P&T) system. Even with an active P&T remedy, uncertainty exists with respect to plume distributions, total mass in the aquifer, and currently known continuing sources. Additional uncertainty is associated with multiple contaminant source locations in the vadose zone, which have the potential to create new groundwater plumes in the absence of any source control measures, although not all contaminant fluxes to groundwater will result in contaminant concentrations above cleanup levels. Collectively, these uncertainties need to be addressed in the CSM to support effective and efficient site progress toward cleanup goal(s). Other nontechnical factors that may warrant an ASM approach at the Hanford Central Plateau are associated with the formation of operable units (OUs) used to manage cleanup. With the exception of the 200-ZP-1 OU, the three remaining groundwater OUs only have interim action records of decision. Nine vadose zone source area OUs are also in the early stages of the remedial investigation and feasibility study process, with pending characterization and technology identification activities. A set of proposed site objectives for the Central Plateau are provided in this document as an initial consideration/example and basis for discussion for ASM implementation. These example site objectives were selected with the goal of maintaining protectiveness at the Columbia River through confinement of contaminant plumes within an administratively controlled area below existing surface waste sites and waste disposal facilities. Although site decision makers and regulators need to provide concurrence, these site objectives are used in this document to describe the elements of an ASM approach, including selection of interim objectives and a long-term adaptive management plan. Interim objectives are also defined to yield measurable incremental progress toward the overall site goals. This document identifies initial technical considerations for developing an ASM framework for the Central Plateau cleanup decisions. These considerations are intended to facilitate more specific decisions, such as objectives, near- and long-term actions, and performance metrics, to develop an overall approach that maintains protectiveness but recognizes the uncertainty, long timeframe, and technical challenges that need to be considered in selecting, implementing, and managing remediation at the Hanford Central Plateau.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Skin-Stiffener Debond Prediction Based on Computational Fracture Analysis

Interlaminar fracture mechanics has proven useful for characterizing the onset of delaminations in composites and has been used with limited success primarily to investigate onset in fracture toughness specimens and laboratory size coupon type specimens. Future acceptance of the methodology by industry and certification authorities however, requires the successful demonstration of the methodology on structural level. For this purpose a panel was selected that is reinforced with stringers. Shear loading causes the panel to buckle and the resulting out-of-plane deformations initiate skin/stringer separation at the location of an embedded defect. For finite element analysis, the panel and surrounding load fixture were modeled with shell elements. A small section of the stringer foot and the panel in the vicinity of the embedded defect were modeled with a local 3D solid model. Across the width of the stringer foot the mixed-mode strain energy release rates were calculated using the virtual crack closure technique. A failure index was calculated by correlating the results with the mixed-mode failure criterion of the graphite/epoxy material. For small applied loads the failure index is well below one across the entire width. With increasing load the failure index approaches one first near the edge of the stringer foot from which delamination is expected to grow. With increasing delamination lengths the buckling pattern of the panel changes and the failure index increases which suggests that rapid delamination growth from the initial defect is to be expected.

Krueger, Ronald↗

Mach 10 Stage Separation Analysis for the X43-A

This paper describes the pre-flight stage separation analysis that was conducted in support of the final flight of the X-43A. In that flight, which occurred less than eight months after the successful Mach 7 flight, the X-43A Research Vehicle attained a peak speed of Mach 9.6. Details are provided on how the lessons learned from the Mach 7 flight affected separation modeling and how adjustments were made to account for the increased flight Mach number. Also, the procedure for defining the feedback loop closure and feed-forward parameters employed in the separation control logic are described, and their effect on separation performance is explained. In addition, the range and nominal values of these parameters, which were included in the Mission Data Load, are presented. Once updates were made, the nominal pre-flight trajectory and Monte Carlo statistical results were determined and stress tests were performed to ensure system robustness. During flight the vehicle performed within the uncertainty bounds predicted in the pre-flight analysis and ultimately set the world record for airbreathing powered flight.

Tartabini, Paul V.↗

Constraining the Sulfur Dioxide Degassing Flux from Turrialba Volcano, Costa Rica Using Unmanned Aerial System Measurements

Observed sulfur dioxide (SO2)mixing ratios onboard unmanned aerial systems (UAS) duringMarch 11-13, 2013 are used to constrain the three-day averaged SO2 degassing flux fromTurrialba volcanowithin a Bayesian inverse modeling framework. A mesoscale model coupled with Lagrangian stochastic particle backward trajectories is used to quantify the source-receptor relationships at very high spatial resolutions (i.e., b1 km). The model shows better performance in reproducing the near-surface meteorological properties and observed SO2 variations when using a first-order closure non-local planetary boundary layer (PBL) scheme. The optimized SO2 degassing fluxes vary from 0.59 +/- 0.37 to 0.83 +/- 0.33 kt d−1 depending on the PBL scheme used. These fluxes are in good agreement with ground-based gas flux measurements, and correspond to corrective scale factors of 8-12 to the posteruptive SO2 degassing rate in the AeroCom emission inventory. The maximum a posteriori solution for the SO2 flux is highly sensitive to the specification of prior and observational errors, and relatively insensitive to the SO2 loss term and temporal averaging of observations. Our results indicate relatively low degassing activity but sustained sulfur emissions from Turrialba volcano to the troposphere during March 2013. This study demonstrates the utility of low-cost small UAS platforms for volcanic gas composition and flux analysis.

Xi, Xin↗

Development and analysis of prognostic equations for mesoscale kinetic energy and mesoscale (subgrid scale) fluxes for large-scale atmospheric models

Generated by landscape discontinuities (e.g., sea breezes) mesoscale circulation processes are not represented in large-scale atmospheric models (e.g., general circulation models), which have an inappropiate grid-scale resolution. With the assumption that atmospheric variables can be separated into large scale, mesoscale, and turbulent scale, a set of prognostic equations applicable in large-scale atmospheric models for momentum, temperature, moisture, and any other gaseous or aerosol material, which includes both mesoscale and turbulent fluxes is developed. Prognostic equations are also developed for these mesoscale fluxes, which indicate a closure problem and, therefore, require a parameterization. For this purpose, the mean mesoscale kinetic energy (MKE) per unit of mass is used, defined as E-tilde = 0.5 (the mean value of u'(sub i exp 2), where u'(sub i) represents the three Cartesian components of a mesoscale circulation (the angle bracket symbol is the grid-scale, horizontal averaging operator in the large-scale model, and a tilde indicates a corresponding large-scale mean value). A prognostic equation is developed for E-tilde, and an analysis of the different terms of this equation indicates that the mesoscale vertical heat flux, the mesoscale pressure correlation, and the interaction between turbulence and mesoscale perturbations are the major terms that affect the time tendency of E-tilde. A-state-of-the-art mesoscale atmospheric model is used to investigate the relationship between MKE, landscape discontinuities (as characterized by the spatial distribution of heat fluxes at the earth's surface), and mesoscale sensible and latent heat fluxes in the atmosphere. MKE is compared with turbulence kinetic energy to illustrate the importance of mesoscale processes as compared to turbulent processes. This analysis emphasizes the potential use of MKE to bridge between landscape discontinuities and mesoscale fluxes and, therefore, to parameterize mesoscale fluxes generated by such subgrid-scale landscape discontinuities in large-scale atmospheric models.

Avissar, Roni↗

On-demand nanoengineering of in-plane ferroelectric topologies

Hierarchical assemblies of ferroelectric nanodomains, so-called super-domains, can exhibit exotic morphologies that lead to distinct behaviours. Controlling these super-domains reliably is critical for realizing states with desired functional properties. Here we reveal the super-switching mechanism by using a biased atomic force microscopy tip, that is, the switching of the in-plane super-domains, of a model ferroelectric Pb 0.6 Sr 0.4 TiO 3 . We demonstrate that the writing process is dominated by a super-domain nucleation and stabilization process. A complex scanning-probe trajectory enables on-demand formation of intricate centre-divergent, centre-convergent and flux-closure polar structures. Correlative piezoresponse force microscopy and optical spectroscopy confirm the topological nature and tunability of the emergent structures. The precise and versatile nanolithography in a ferroic material and the stability of the generated structures, also validated by phase-field modelling, suggests potential for reliable multi-state nanodevice architectures and, thereby, an alternative route for the creation of tunable topological structures for applications in neuromorphic circuits.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Terry Turbopump Expanded Operating Band Modeling and Simulation Efforts in Fiscal Year 2021 Extended Period of Performance (Final Report)

This report documents the progress made under the Terry Turbine Expanded Operating Band (TTEXOB) program's modeling and simulation (MODSIM) initiative at Sandia National Laboratories (SNL ). It describes the US Federal Fiscal Year 2021 (FY21) extended period-of-performance MODSIM work completed since the closure of FY20 with due reference to the Texas A&M University (TAMU) hybrid milestone 5/6 experimental program. This work, which falls under Milestone 7 of the program, provides a counterpart to the various experiments. The overall TTEXOB program and its milestone-based approach are described in the program's Summary Plan. Details of the individual milestone test plans can be found in the corresponding detailed test plan, e.g. the Milestone 3 and 4 Detailed Test Plan. SNL MODISM is conducted alongside experiments performed at TAMU, and SNL technical staff regularly consults with TAMU on the experimental program. In FY21, MELCOR code models and capabilities were exercised in two different contexts: experimental comparisons to the TAMU ZS-1 and GS-2, and stand-alone analyses of a station black-out (SBO) scenario in a generic boiling water reactor (BWR). Code to experiment comparisons met with fair success when turbine losses were well characterized as for the ZS-1 turbine. Both deterministic and Bayesian calibration processes were used to find a recommended turbine torque multiplier for ZS-1 type turbines. This process could be repeated for GS-2 type turbines if GS-2 losses were better understood. Stand-alone generic BWR SBO calculations revealed that three different modes of self-regulating turbopump behavior may be observed depending on certain modeling parameters and choices having to do with turbine nozzles. Aspects of this predicted behavior may have been observed in TAMU GS-2 experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Gravitational Effects on Distortion in Sintering

During sintering a powder compact gains strength through low-temperature interparticle bonding, usually induced by solid-state surface diffusion, followed by further strength contributions from high-temperature densification. In cases where a liquid phase forms, sintering densification is accelerated and shape retention is sustained while open pores remain and contribute capillary forces. Unfortunately, sintering densification requires the compact become thermally softened to a point where creep strain rates reach levels near 10(exp -2)/s when the liquid forms. On the other hand, thermal softening of the powder compact substantially reduces the strength at high temperatures. Therefore, the in situ strength evolution during sintering is a primary focus to separate compact densification (as required for high performance) with minimized distortion (as required for net-shaping). With respect to gravitation effects on distortion during sintering there are two points of substantial weakness - prior to significant interparticle bonding and during final pore closure. This research is focused on understanding the competition among interparticle neck growth, densification, thermal softening, grain boundary wetting, capillary effects associated with liquid wetting and residual porosity, and gravity. Most surprising is the apparent role of gravity, where the deviatoric stress acting on the powder structure induces skeletal formation that reduces distortion. In contrast with theory, microgravity samples exhibit more distortion yet fail to fully densify. Results are presented on the experimental concepts supporting an emerging model of sintering strength evolution that enables understanding of both distortion and densification. The experiments have relied on tungsten heavy alloys, various combinations of dihedral angle, pore size, initial porosity, liquid:solid ratio, and heating rates. On Earth, the dominant factor with respect to distortion is the starting body heterogeneity. Current modeling efforts are seeking some means to uniformly predict the distortion based on a starting pore structure heterogeneity parameter. Densification is largely unaffected by the initial pore structure, but distortion is highly variable, suggesting that nonuniform pore closure might be a significant parameter during sintering. With respect to flight experiments, plans include removal of the solid body forces acting on the solid grains, allowing stabilization of the pore structure and examination of the buoyancy effects with regard to distortion. In microgravity there is the surprising result that compacts do not densify, yet distort a factor that is contrary to all current sintering models. Densification without distortion during liquid phase sintering was achieved by manipulating microstructure and its evolution during sintering. Microstructure parameters such as the solid volume fraction, dihedral angle, initial porosity, and pore size were varied to measure densification and distortion behavior during LPS using W-Ni-Cu alloys. Green compacts were formed using ethylene-bis-stearamide as a pore-forming agent with the amount of polymer controlling the initial porosity. Different initial pore sizes were generated by varying the polymer particle size. Dihedral angle was varied by changing the Ni:Cu ratio in the alloys. Finally, the solid volume fraction was adjusted via the tungsten content. Distortion was quantified using profiles determined with a coordinate measuring machine to calculate a distortion parameter. Sintering results showed that solid volume fraction and dihedral angle are the dominant factors on densification and distortion during liquid phase sintering. Distortion decreases with increasing solid volume fraction and dihedral angle, while initial porosity and pore size have no observable effect on distortion at nearly full densification. Various strategies emerge to improve distortion control in liquid phase sintering.

German, Randall M.↗