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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 523 records · Page 29

Model Parameter Development for Complex Materials: Species-Specific Diffusion Barriers in 316 Stainless Steel from Systematic DFT Calculations

Vacancy-mediated diffusion barriers in 316 stainless steel have been systematically calculated using density functional theory to provide essential parameters for mesoscale microstructure evolution models. A statistical sampling approach employing 210 nudged elastic band calculations across multiple special quasi-random structures captures the effects of local chemical environments in this concentrated alloy. The computational methodology addresses challenges specific to chemically disordered systems, including proper magnetic treatment throughout multi-step calculations and validation against experimental structural properties. The calculated activation barriers reveal clear species-dependent diffusion behavior with the hierarchy Ni >> Fe ˜ Cr >> Mo. Nickel exhibits the highest barriers (0.74–1.31 eV, mean 1.045 eV), confirming its role as the slowest-diffusing major component. Iron and chromium show similar moderate barriers averaging 0.587 eV and 0.522 eV, respectively. Remarkably, molybdenum demonstrates exceptionally low barriers (0.12–0.28 eV, mean 0.194 eV), suggesting much higher mobility than previously recognized and potentially significant implications for precipitation kinetics and microstructure evolution. The barrier ranges remain consistent across different 316 SS compositions, supporting parameter transferability for modeling applications. The overall mean barrier of 0.64 eV provides a practical approximation for phase field simulations, while species-specific values enable detailed treatments of diffusion-controlled processes. This systematic approach establishes a validated framework for generating diffusion parameters in other concentrated alloys where experimental data are limited, while providing the first systematic set of species-specific barriers for predictive modeling of 316 stainless steel microstructure evolution.

36 MATERIALS SCIENCE↗

The unsteady suction analogy and applications

A method of the unsteady suction analogy is developed using the unsteady quasi-vortex-lattice method which accurately predicts unsteady leading-edge and side-edge suction forces, and applies to any reduced frequencies. The importance of vortex lag is demonstrated, and damping derivatives, including roll and pitch damping derivatives with reduced frequencies and angles of attack are accurately predicted. Agreement of predicted pitch stiffness derivatives, however, is found to depend on the Reynolds number, possible aeroelastic effect, and the degree of edge-separated vortex flow on the model. Applications to the prediction of longitudinal dynamic stability derivatives for slender wings at high angles of attack are also presented.

Lan, C. E.↗

Physics-Infused AI/ML Based Digital-Twin Framework for Flow-Induced-Vibration Damage Prediction in a Nuclear Reactor Heat Exchanger

This report summarizes some of the ongoing work related to the development of an expert-elicitation-digital-twin framework for real time damage state prediction in heat exchanger components of a nuclear reactor. The framework is targeted towards predicting damage associated with coupled low cycle fatigue (associated with regular heat-up, cool-down and power operation transients) and high cycle fatigue (associated with flow induced vibration transients). The overall framework will be based on a NoSQL based database, physics-infused-geometry-dependent virtual-sensor data, different AI/ML techniques-based data-driven-predictive-model applications (Apps) and real-time plant sensor measurements available through few existing sensors. Towards this overall goal, this report updates some of the ongoing work, such as on implementation of a NoSQL Database (such as MongoDB), FE based heat transfer analysis of a heat exchanger (e.g. of a PWR steam generator) for generating geometry-dependent virtual sensor data and evaluation of various AI/ML models such as based on multivariate linear regression, ensembled decision-tree based Random-Forest and Gradient-Boosting regression and high-dimensional-kernel-function-transformation based Support-Vector-Machine regression models. The AI/ML models were evaluated for predicting multi-time-series thermal states at thousands of 3D point-clouds

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Aerothermal performance and damage tolerance of a Rene 41 metallic standoff thermal protection system at Mach 6.7

A flight-weight, metallic thermal protection system (TPS) model applicable to Earth-entry and hypersonic-cruise vehicles was subjected to multiple cycles of both radiant and aerothermal heating in order to evaluate its aerothermal performance, structural integrity, and damage tolerance. The TPS was designed for a maximum operating temperature of 2060 R and featured a shingled, corrugation-stiffened corrugated-skin heat shield of Rene 41, a nickel-base alloy. The model was subjected to 10 radiant heating tests and to 3 radiant preheat/aerothermal tests. Under radiant-heating conditions with a maximum surface temperature of 2050 R, the TPS performed as designed and limited the primary structure away from the support ribs to temperatures below 780 R. During the first attempt at aerothermal exposure, a failure in the panel-holder test fixture severely damaged the model. However, two radiant preheat/aerothermal tests were made with the damaged model to test its damage tolerance. During these tests, the damaged area did not enlarge; however, the rapidly increasing structural temperature measuring during these tests indicates that had the damaged area been exposed to aerodynamic heating for the entire trajectory, an aluminum burn-through would have occurred.

Avery, D. E.↗

Tumbleweed: Wind-propelled Surficial Measurements for Astrobiology and Planetary Science

Tumbleweed is a wind-propelled long-range vehicle based on well-developed and tested technology, instrumented to perform surveys Mars analog environments for habitability and suitable for a variety of missions on Mars. Tumbleweeds are light-weight and relatively inexpensive, making it very attractive for multiple deployments or piggy-backing on a larger mission. Tumbleweeds with rigid structures are also being developed for similar applications. Modeling and testing have shown that a 6 meter diameter Tumbleweed is capable of climbing 25 hills, traveling over 1 meter diameter boulders, and ranging over a thousand kilometers. Tumbleweeds have a potential payload capability of about 10 kilograms with approximately 10-20 Watts of power. Stopping for science investigations can also be accomplished using partial deflation or other braking mechanisms. Surveys for Astrobiology and other applications of tumbleweeds are shown.

Kuhlman, K. R.↗

Physics of Life: A Model for Non-Newtonian Properties of Living Systems

This innovation proposes the reconciliation of the evolution of life with the second law of thermodynamics via the introduction of the First Principle for modeling behavior of living systems. The structure of the model is quantum-inspired: it acquires the topology of the Madelung equation in which the quantum potential is replaced with the information potential. As a result, the model captures the most fundamental property of life: the progressive evolution; i.e. the ability to evolve from disorder to order without any external interference. The mathematical structure of the model can be obtained from the Newtonian equations of motion (representing the motor dynamics) coupled with the corresponding Liouville equation (representing the mental dynamics) via information forces. All these specific non-Newtonian properties equip the model with the levels of complexity that matches the complexity of life, and that makes the model applicable for description of behaviors of ecological, social, and economical systems. Rather than addressing the six aspects of life (organization, metabolism, growth, adaptation, response to stimuli, and reproduction), this work focuses only on biosignature ; i.e. the mechanical invariants of life, and in particular, the geometry and kinematics of behavior of living things. Living things obey the First Principles of Newtonian mechanics. One main objective of this model is to extend the First Principles of classical physics to include phenomenological behavior on living systems; to develop a new mathematical formalism within the framework of classical dynamics that would allow one to capture the specific properties of natural or artificial living systems such as formation of the collective mind based upon abstract images of the selves and non-selves; exploitation of this collective mind for communications and predictions of future expected characteristics of evolution; and for making decisions and implementing the corresponding corrections if the expected scenario is different from the originally planned one. This approach postulates that even a primitive living species possesses additional, non-Newtonian properties that are not included in the laws of Newtonian or statistical mechanics. These properties follow from a privileged ability of living systems to possess a self-image (a concept introduced in psychology) and to interact with it. The proposed mathematical system is based on the coupling of the classical dynamical system representing the motor dynamics with the corresponding Liouville equation describing the evolution of initial uncertainties in terms of the probability density and representing the mental dynamics. The coupling is implemented by the information-based supervising forces that can be associated with self-awareness. These forces fundamentally change the pattern of the probability evolution, and therefore, lead to a major departure of the behavior of living systems from the patterns of both Newtonian and statistical mechanics. This innovation is meant to capture the signature of life based only on observable behavior, not on any biochemistry. This will not prevent the use of this model for developing artificial living systems, as well as for studying some general properties of behavior of natural, living systems.

Zak, Michail↗

Understanding Earthquake Fault Systems Using QuakeSim Analysis and Data Assimilation Tools

We are using the QuakeSim environment to model interacting fault systems. One goal of QuakeSim is to prepare for the large volumes of data that spaceborne missions such as DESDynI will produce. QuakeSim has the ability to ingest distributed heterogenous data in the form of InSAR, GPS, seismicity, and fault data into various earthquake modeling applications, automating the analysis when possible. Virtual California simulates interacting faults in California. We can compare output from long time history Virtual California runs with the current state of strain and the strain history in California. In addition to spaceborne data we will begin assimilating data from UAVSAR airborne flights over the San Francisco Bay Area, the Transverse Ranges, and the Salton Trough. Results of the models are important for understanding future earthquake risk and for providing decision support following earthquakes. Improved models require this sensor web of different data sources, and a modeling environment for understanding the combined data.

earthquake simulations↗

NASA GPM GV Science Implementation

Pre-launch algorithm development & post-launch product evaluation: The GPM GV paradigm moves beyond traditional direct validation/comparison activities by incorporating improved algorithm physics & model applications (end-to-end validation) in the validation process. Three approaches: 1) National Network (surface): Operational networks to identify and resolve first order discrepancies (e.g., bias) between satellite and ground-based precipitation estimates. 2) Physical Process (vertical column): Cloud system and microphysical studies geared toward testing and refinement of physically-based retrieval algorithms. 3) Integrated (4-dimensional): Integration of satellite precipitation products into coupled prediction models to evaluate strengths/limitations of satellite precipitation producers.

Petersen, W. A.↗

Effective Interpolation of Incomplete Satellite-Derived Leaf-Area Index Time Series for the Continental United States

Many earth science modeling applications employ continuous input data fields derived from satellite data. Environmental factors, sensor limitations and algorithmic constraints lead to data products of inherently variable quality. This necessitates interpolation of one form or another in order to produce high quality input fields free of missing data. The present research tests several interpolation techniques as applied to satellite-derived leaf area index, an important quantity in many global climate and ecological models. The study evaluates and applies a variety of interpolation techniques for the Moderate Resolution Imaging Spectroradiometer (MODIS) Leaf-Area Index Product over the time period 2001-2006 for a region containing the conterminous United States. Results indicate that the accuracy of an individual interpolation technique depends upon the underlying land cover. Spatial interpolation provides better results in forested areas, while temporal interpolation performs more effectively over non-forest cover types. Combination of spatial and temporal approaches offers superior interpolative capabilities to any single method, and in fact, generation of continuous data fields requires a hybrid approach such as this.

Jasinski, Michael F.↗

Flexible Integration of Diverse HVAC Technologies in EnergyPlus via Python-Enabled Workflows

Analysis of advanced controls and novel system types is often not directly feasible in building energy simulation tools. Various techniques extend building energy simulation tool capabilities to allow the use of user-defined scripts and programs, but these approaches have limitations. The EnergyPlus Python plugin offers users new flexibility to use EnergyPlus to call an external Python module at specific points in the simulation, as well as to use Python to call EnergyPlus functionality through an application programming interface (API). This paper presents four case studies leveraging the EnergyPlus Python plugin to facilitate analysis of advanced controls and system types. The use of the Python plugin offers greater modularity and flexibility relative to previous approaches, is less error prone, and is simpler for users to adopt. The Python plugin allows EnergyPlus to be used in a more flexible manner and to accommodate the expanding realm of energy modeling applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Performance Characteristics of the Multi-Zone NAS Parallel Benchmarks

We describe a new suite of computational benchmarks that models applications featuring multiple levels of parallelism. Such parallelism is often available in realistic flow computations on systems of grids, but had not previously been captured in bench-marks. The new suite, named NPB Multi-Zone, is extended from the NAS Parallel Benchmarks suite, and involves solving the application benchmarks LU, BT and SP on collections of loosely coupled discretization meshes. The solutions on the meshes are updated independently, but after each time step they exchange boundary value information. This strategy provides relatively easily exploitable coarse-grain parallelism between meshes. Three reference implementations are available: one serial, one hybrid using the Message Passing Interface (MPI) and OpenMP, and another hybrid using a shared memory multi-level programming model (SMP+OpenMP). We examine the effectiveness of hybrid parallelization paradigms in these implementations on three different parallel computers. We also use an empirical formula to investigate the performance characteristics of the multi-zone benchmarks.

Jin, Haoqiang↗

Quantifying subsurface parameter and transport uncertainty using surrogate modelling and environmental tracers

Here, we combine physics-based groundwater reactive transport modelling with machine-learning techniques to quantify hydrogeological model and solute transport predictive uncertainties. We train an artificial neural network (ANN) on a dataset of groundwater hydraulic heads and 3 H concentrations generated using a high-fidelity groundwater reactive transport model. Using the trained ANN as a surrogate model to reproduce the input–output response of the high-fidelity reactive transport model, we quantify the posterior distributions of hydrogeological parameters and hydraulic forcing conditions using Markov chain Monte Carlo calibration against field observations of groundwater hydraulic heads and 3 H concentrations. We demonstrate the methodology with a model application that predicts Chlorofluorocarbon-12 (CFC-12) solute transport at a contaminated field site in Wyoming, United States. Our results show that including 3 H observations in the calibration dataset reduced the uncertainty in the estimated permeability field and infiltration rates, compared to calibration against hydraulic heads alone. However, predictive uncertainty quantification shows that CFC-12 transport predictions conditioned to the parameter posterior distributions cannot reproduce the field measurements. We found that calibrating the model to hydraulic head and 3 H observations results in groundwater mean ages that are too large to explain the observed CFC-12 concentrations. The coupling of the physics-based reactive transport model with the machine-learning surrogate model allows us to efficiently quantify model parameter and predictive uncertainties, which is typically computationally intractable using reactive transport models alone.

58 GEOSCIENCES↗

Helical jets and the misalignment distribution for core-dominated radio sources

The type of a model which would explain the large population of orthogonally misaligned sources is considered. Two of the best examples of misaligned sources are investigated, namely, the quasar 3C 309.1 (Wilkinson et al., 1986; Kus et al., 1990, 1991) and the BL Lac object 1823 + 568 (Foley, 1982; O'Dea et al., 1988). It is shown that simple bend geometries cannot explain the misaligned sources, and the geometries required to give orthogonal misalignments are explained. A generally applicable model which might explain misaligned sources is proposed.

Conway, J. E.↗

Mechanistic Modeling of Microtopographic Impacts on CO 2 and CH 4 Fluxes in an Alaskan Tundra Ecosystem Using the CLM-Microbe Model

Spatial heterogeneities in soil hydrology have been confirmed as a key control on CO 2 and CH 4 fluxes in the Arctic tundra ecosystem. In this study, we applied a mechanistic ecosystem model, CLM-Microbe, to examine the microtopographic impacts on CO 2 and CH 4 fluxes across seven landscape types in Utqia&#289vik, Alaska: trough, low-centered polygon (LCP) center, LCP transition, LCP rim, high-centered polygon (HCP) center, HCP transition, and HCP rim. We first validated the CLM-Microbe model against static-chamber measured CO 2 and CH 4 fluxes in 2013 for three landscape types: trough, LCP center, and LCP rim. Model application showed that low-elevation and thus wetter landscape types (i.e., trough, transitions, and LCP center) had larger CH 4 emissions rates with greater seasonal variations than high-elevation and drier landscape types (rims and HCP center). Sensitivity analysis indicated that substrate availability for methanogenesis (acetate, CO 2 + H 2 ) is the most important factor determining CH 4 emission, and vegetation physiological properties largely affect the net ecosystem carbon exchange and ecosystem respiration in Arctic tundra ecosystems. Modeled CH 4 emissions for different microtopographic features were upscaled to the eddy covariance (EC) domain with an area-weighted approach before validation against EC-measured CH 4 fluxes. The model underestimated the EC-measured CH 4 flux by 20% and 25% at daily and hourly time steps, suggesting the importance of the time step in reporting CH 4 flux. The strong microtopographic impacts on CO 2 and CH 4 fluxes call for a model-data integration framework for better understanding and predicting carbon flux in the highly heterogeneous Arctic landscape.

54 ENVIRONMENTAL SCIENCES↗

Polarimetric clutter modeling: Theory and application

The two-layer anisotropic random medium model is used to investigate fully polarimetric scattering properties of earth terrain media. The polarization covariance matrices for the untilted and tilted uniaxial random medium are evaluated using the strong fluctuation theory and distorted Born approximation. In order to account for the azimuthal randomness in the growth direction of leaves in tree and grass fields, an averaging scheme over the azimuthal direction is also applied. It is found that characteristics of terrain clutter can be identified through the analysis of each element of the covariance matrix. Theoretical results are illustrated by the comparison with experimental data provided by MIT Lincoln Laboratory for tree and grass fields.

Kong, J. A.↗

Overview of turbulence model development and applications at Rocketdyne

This viewgraph presentation discusses turbulence modeling requirements, development philosophy, and approach; two major areas of concentration (high speed and low speed turbulence modeling); high speed turbulence modeling; compressibility effects; turbulence models adapted to USA code; M = 9.2 flat plate flow; Mach 7.05 flow over axisymmetric flare; Mach 8.6 flow over cold wall edge; low speed turbulence modeling; turbulence models being assessed; turbulence model deck structure and integration with Navier-Stokes solver; nonlinear algebraic-stress model; rotation modified k-epsilon model; and Reynolds stress model.

Hadid, A. H.↗

Final Report for The Creation of a Physics-based Ground-effect Model, Phase 2 - Inclusion of the Effects of Wind, Stratification, and Shear into the New Ground Effect Model

The reduction of the separation of the leading and following aircrafts is desirable to enhance the airport capacity provided that there is a physics-based operational model applicable to all regions of the flight domain (out of ground effect, OGE; near ground effect, NGE; and in ground effect, IGE) and that the quality of the quantitative input from the measurements of the prevailing atmospheric conditions and the quality of the total airport operations regarding the safety and the sound interpretation of the prevailing conditions match the quality of the analysis and numerical simulations. In the absence of an analytical solution, the physics of the flow is best expressed by a mathematical model based on numerical simulations, field and laboratory experiments, and heuristic reasoning. This report deals with the creation of a sound physics-based real-time IGE model of the aircraft wake vortices subjected to crosswind, stratification and shear.

Sarpkaya, Turgut↗