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At least 955 records · Page 53

A data science approach for analysis and reconstruction of spinodal-like composition fields in irradiated FeCrAl alloys

A statistical method for the analysis of continuously distributed data representative of composition fluctuations in irradiated FeCrAl alloys acquired using Energy Dispersive X-ray Spectroscopy (EDS) method is presented. Using probability distribution functions, direct and cross-covariances between the elemental compositions, the effects of alloy composition and irradiation dose were investigated on the spatial distribution and length scale of composition fluctuations at the nanoscale. We have observed that, for neutron-irradiated FeCrAl alloys, the distribution of Fe and Cr followed a left-skewed and right-skewed distribution, respectively for all (average) alloy compositions and irradiation doses. The analysis also revealed enhanced spatial gradients in the elemental compositions at higher irradiation dose. Direct and cross-covariance estimates of the experimental data were also utilized for reconstruction of composition data through fitting it to a parametric form of the covariance functions. Linear Model of Coregionalization was used to determine the parameters of the covariance functions. Subsequently, a spectral method was utilized for simulating a realization of the alloy compositions. Close correspondence was observed between the experimental and the reconstructed data which was analyzed using probability distribution functions and covariance functions. Composition space of the experimental and reconstructed data and dislocation velocities as a function of applied stress and line directions over the entire composition maps were also examined.

36 MATERIALS SCIENCE↗

Prediction of dislocation - grain boundary interactions in FCC aluminum bicrystals using a modified continuum criterion and machine learning methods

Mechanical properties of metals such as strength and toughness are strongly correlated to complex interactions between various defects in the crystalline structure. While elementary interactions between these defects have been investigated using recent micro- and nano-characterization techniques, understanding of the detailed interaction mechanisms has hardly been obtained. To understand defect-driven plasticity at various time and length scales, it is necessary to formulate a general guideline to predict both the interaction type (transmission or reflection) and the dislocation's subsequent slip system after the interaction. Many criteria based on the geometric alignment of the defects have been developed to predict this phenomenon, but these have yet to be found to be accurate when applied to general data sets of grain boundaries (GBs). With this motivation, we conduct a systematic study using molecular dynamics (MD) models of bicrystals to analyze defect interaction process between a prismatic dislocation loop and eleven different grain boundaries of the following character: three tilt, three twist, and five mixed. Based on the MD observations, two new prediction methods are developed: the first is a new data-driven parametric score function based on the classical geometric criteria, and the second is by applying Gaussian process machine learning methods to find the probability distribution of a hidden function. In conclusion, the proposed data-driven prediction methods could pave a new way to predict the unit interaction of dislocations with various GBs, which could show much higher accuracy compared to pre-existing geometric criteria.

36 MATERIALS SCIENCE↗

Deployment of Multifidelity Uncertainty Quantification for Thermal Battery Assessment Part I: Algorithms and Single Cell Results

This report documents the results of an FY22 ASC V&V level 2 milestone demonstrating new algorithms for multifidelity uncertainty quantification. Part I of the report describes the algorithms, studies their performance on a simple model problem, and then deploys the methods to a thermal battery example from the open literature. Part II (restricted distribution) applies the multifidelity UQ methods to specific thermal batteries of interest to the NNSA/ASC program.

25 ENERGY STORAGE↗

Number-counts slope estimation in the presence of Poisson noise

The slope determination of a power-law number flux relationship in the case of photon-limited sampling. This case is important for high-sensitivity X-ray surveys with imaging telescopes, where the error in an individual source measurement depends on integrated flux and is Poisson, rather than Gaussian, distributed. A bias-free method of slope estimation is developed that takes into account the exact error distribution, the influence of background noise, and the effects of varying limiting sensitivities. It is shown that the resulting bias corrections are quite insensitive to the bias correction procedures applied, as long as only sources with signal-to-noise ratio five or greater are considered. However, if sources with signal-to-noise ratio five or less are included, the derived bias corrections depend sensitively on the shape of the error distribution.

Schmitt, Juergen H. M. M.↗

Cooling of Gas Turbines: Computed Temperature Distribution Through Cross Section of Water-Cooled Turbine Blade - 6

A theoretical analysis of the cross-sectional temperature distribution of a water-cooled turbine blade was made using the relaxation method to solve the differential equation derived from the analysis. The analysis was applied to specific turbine blade and the studies icluded investigations of the accuracy of simple methods to determine the temperature distribution along the mean line of the rear part of the blade, of the possible effect of varying the perimetric distribution of the hot gas-to -metal heat transfer coefficient, and of the effect of changing the thermal conductivity of the blade metal for a constant cross sectional area blade with two quarter inch diameter coolant passages.

Livingood, John N. B.↗

Nanophase Iron Globules in Lunar Soil

Micrometeoritic impacts on lunar soils produce melt and vapor. A patina of condensed vapor is deposited on lunar grains, the melt forms agglutinitic glass. In lunar soils, agglutinitic glass and rinds of grains host submicron-sized globules of pure Fe0 (Fe-rich globules larger than 1 micron usually contain other elements such as Ni, P, and S). Observation and measurement of such small size requires either back scattered electron (BSE) imaging with a high-resolution SEM or transmitted electron imaging with a TEM. The two techniques impose different limitations on the size-range of measurements. Resolution of BSE imaging of polished thin sections or grain mounts of lunar soils is at best around 4-5nm (JEOL 6340F field-emission (FE)-SEM at JSC). Therefore, Fe0 globules below 10nm in cross-sectional diameter are not truly measured. The upper limit of a millimeter or so is not a hindrance. In fact, it is an advantage because whole grains can be observed and mapped at varying magnifications. Angstrom-scale resolution of TEM images is more than sufficient to observe and measure the smallest of Fe0 globules that are about 1nm in cross-section. Microtoming edges of lunar grains; however, puts an upper size limitation of 50nm, at best, on the wafer, which more or less limits measuring Fe0 globules up to 30nm or so. Clearly, SEM and TEM techniques complement each other in obtaining the complete range of size distribution of Fe0 globules in lunar soils. Below we describe, in brief, our method of determining the size distribution of Fe0 globules in agglutinitic glass using BSE-SEM imaging and size measurement. Although our work is incomplete, we also include a table of results obtained so far, which understandably would be refined as we collect more data.

C. L. James↗

Consensus-Based Approach for Active Power Control and Reserve Estimation in Distributed PV Systems

With the increased adoption of distributed energy resources (DER), they are expected to contribute to power system reliability services and enhance power system stability. This paper presents a distributed consensus control approach for the real-time active power reserve estimation and power management in distributed PV (photovoltaic) systems. The proposed method estimates the cumulative active power reserve from numerous PV generators using only the sparse communication network for a DER aggregator to provide active power regulation services. The real-time active power reserve estimation using the proposed approach can be used by DER aggregators to manage curtailment in distributed PV systems to maintain stipulated reserves and further to provide power system frequency regulation. Using the proposed approach, the DER aggregator only requires measurements at the feeder substation and it does not require information from individual DER units, thereby improving system resiliency. The proposed distributed consensus control method is validated on IEEE 123 testbed using PSCAD simulations.

active power reserve↗

Consensus-Based Approach for Active Power Control and Reserve Estimation in Distributed PV Systems: Preprint

With the increased adoption of distributed energy resources (DER), they are expected to contribute to power system reliability services and enhance power system stability. This paper presents a distributed consensus control approach for the real-time active power reserve estimation and power management in distributed PV (photovoltaic) systems. The proposed method estimates the cumulative active power reserve from numerous PV generators using only the sparse communication network for a DER aggregator to provide active power regulation services. The real-time active power reserve estimation using the proposed approach can be used by DER aggregators to manage curtailment in distributed PV systems to maintain stipulated reserves and further to provide power system frequency regulation. Using the proposed approach, the DER aggregator only requires measurements at the feeder substation and it does not require information from individual DER units, thereby improving system resiliency. The proposed distributed consensus control method is validated on IEEE 123 testbed using PSCAD simulations.

active power reserve↗

Prediction of in-depth oxidation distribution of reinforced carbon-carbon materials for Space Shuttle leading edges

A method was developed for predicting oxidation distribution through the thickness of reinforced carbon-carbon material in an earth atmospheric entry environment. A mathematical model was developed which describes oxygen diffusion and reaction rates within material pores. Pertinent rate constants were derived, and material mass loss was computed for a range of temperatures and pressures. Results indicate that both temperature and pressure have an important effect on mass loss distribution. Analytical results were quite consistent with results of ground oxidation tests.

Medford, J. E.↗

Multiphysics and Multiscale Simulation Methods for Electromagnetic Energy Assisted Fossil Fuel to Hydrogen Conversion (Final Scientific/Technical Report)

This report summarizes the technical accomplishments of the four-year research project “Multiphysics and Multiscale Simulation Methods for Electromagnetic Energy Assisted Fossil Fuel to Hydrogen Conversion” (Award No. DE-FE0032092), conducted at Howard University and the University of Houston (subawardee) from September 2021 to August 2025. The project successfully achieved all four major objectives: 1. 3D Structural Characterization – Developed 3D optical imaging and mechanical sectioning methods to characterize catalyst distribution and support morphology in nickel foam substrates. Successfully reconstructed 3D geometries and imported them into COMSOL Multiphysics for electromagnetic simulations. 2. EM Hotspot Simulation – Created all-frequency stable electromagnetic formulations and 3D nodal discontinuous Galerkin (NDG) methods for coupled electromagnetic-thermal-fluid problems in multiscale catalytic media. Demonstrated stable solutions from DC to microwave frequencies. 3. Multiphysics Coupling – Developed multiscale simulation methods coupling FEM electromagnetic solvers with thermal transport equations. Reactive molecular dynamics (ReaxFF MD) simulations were performed to investigate catalytic reaction mechanisms at the atomistic level. Demonstrated electromagnetic-thermal co-simulation capabilities for porous catalyst structures. 4. System Optimization – Designed and optimized EM-assisted catalytic systems using nickel foam and carbon foam structures, demonstrating significant temperature increases due to microwave heating. Observed and characterized plasma generation in carbon fiber catalysts. Investigated multiple reaction chamber geometries for improved microwave energy deposition. The project produced significant scientific contributions including 15+ peer-reviewed publications, trained multiple Ph.D. students and undergraduate researchers, and advanced the understanding of microwave-assisted hydrogen production from fossil fuels.

08 HYDROGEN↗

On the applications of algebraic grid generation methods based on transfinite interpolation

Algebraic grid generation methods based on transfinite interpolation called the two-boundary and four-boundary methods are applied for generating grids with highly complex boundaries. These methods yield grid point distributions that allow for accurate application to regions of sharp gradients in the physical domain or time-dependent problems with small length scale phenomena. Algebraic grids are derived using the two-boundary and four-boundary methods for applications in both two- and three-dimensional domains. Grids are developed for distinctly different geometrical problems and the two-boundary and four-boundary methods are demonstrated to be applicable to a wide class of geometries.

Nguyen, Hung Lee↗

A study of internal and distributed damping for vibrating turbomachiner blades

Internal and distributed damping as possible methods for reducing the vibration response of turbomachine blades and theoretical methods for analyzing damped vibration were studied. It is demonstrated how the Ritz-Galerkin methods may be used to straightforwardly to analyze forced vibrations with damping. This is done directly without requiring the free vibration eigenfunctions. The Galerkin method is an effective technique for these types of problems. The Ritz method has the further advantage of not needing to satisfy the force type boundary conditions, which is particularly important for plates and shells. But proper functionals representing the forcing and damping terms must be developed, and this is done. Two types of damping--viscous and material (hysteretic) are considered. Both distributed and concentrated exciting forces are treated. Numerical results are obtained for cantilevered beams and rectangular plates. Studies showing the rates of convergence of the solutions are made. In the case of the cantilever beam, approximate solutions from the present methods are compared with the exact solutions.

Leissa, A. W.↗

Spray Characteristics of a Hybrid Twin-Fluid Pressure-Swirl Atomizer

The spray performance of a fuel injection system applicable for use in main combustion chamber of an oxidizer-rich staged combustion (ORSC) cycles is presented. The experimental data reported here include mean drop size and drop size distribution, spray cone half-angle, and momentum rate (directly related to spray penetration). The maximum entropy formalism, MEF, method to predict drop size distribution is applied and compared to the experimental data. Geometric variables considered include the radius of the injector inlet orifice plate through which oxidizer flows (&) and the exposed length from the fuel inlet to the injector exit plane (L2). Operating conditions that were varied include the liquid mass flow rate and air mass flow rate. For orifices B and C there is a significant dependence of D3Z on both the air and liquid mass flow rates, as well as on L2. For the A orifice, the momentum rate of the air flow appears to exceed a threshold value above which a constant D32 is obtained. Using the MEF method, a semi-analytical process was developed to model the spray distribution using two input parameters (q = 0.4 and Dso). The momentum rate of the spray is directly related to the air and liquid mass flow rates. The cone half angle of the spray ranges from 25 to 17 degrees. The data resulting from this project will eventually be used to develop advanced rocket systems.

Durham, M. J.↗

Integration of DER Adoption Forecasting into Distribution Planning: Cooperative Research and Development Final Report, CRADA Number CRD-11-00430 (Project H)

The objective of this project is to improve distributed energy resources (DER) technology, time, and locational impact analysis by incorporating customer adoption intentions and preferences into distribution planning and operations. The National Renewable Energy Laboratory (NREL) shall collaborate with EPRI staff to contribute to the development of methodology, literature review, analysis, and write-up for two sections of a report "Identification and Overview of Methods for Mapping DER Adoption Forecasts” and “Comparative Analysis of Methods for Mapping DER Adoption Forecasts."

14 SOLAR ENERGY↗

Reliability enhancement of Navier-Stokes codes through convergence enhancement

Reduction of total computing time required by an iterative algorithm for solving Navier-Stokes equations is an important aspect of making the existing and future analysis codes more cost effective. Several attempts have been made to accelerate the convergence of an explicit Runge-Kutta time-stepping algorithm. These acceleration methods are based on local time stepping, implicit residual smoothing, enthalpy damping, and multigrid techniques. Also, an extrapolation procedure based on the power method and the Minimal Residual Method (MRM) were applied to the Jameson's multigrid algorithm. The MRM uses same values of optimal weights for the corrections to every equation in a system and has not been shown to accelerate the scheme without multigriding. Our Distributed Minimal Residual (DMR) method based on our General Nonlinear Minimal Residual (GNLMR) method allows each component of the solution vector in a system of equations to have its own convergence speed. The DMR method was found capable of reducing the computation time by 10-75 percent depending on the test case and grid used. Recently, we have developed and tested a new method termed Sensitivity Based DMR or SBMR method that is easier to implement in different codes and is even more robust and computationally efficient than our DMR method.

Choi, K.-Y.↗

e RPCA : Robust Principal Component Analysis for Exponential Family Distributions

Abstract Robust principal component analysis (RPCA) is a widely used method for recovering low‐rank structure from data matrices corrupted by significant and sparse outliers. These corruptions may arise from occlusions, malicious tampering, or other causes for anomalies, and the joint identification of such corruptions with low‐rank background is critical for process monitoring and diagnosis. However, existing RPCA methods and their extensions largely do not account for the underlying probabilistic distribution for the data matrices, which in many applications are known and can be highly non‐Gaussian. We thus propose a new method called RPCA for exponential family distributions (), which can perform the desired decomposition into low‐rank and sparse matrices when such a distribution falls within the exponential family. We present a novel alternating direction method of multiplier optimization algorithm for efficient decomposition, under either its natural or canonical parametrization. The effectiveness of is then demonstrated in two applications: the first for steel sheet defect detection and the second for crime activity monitoring in the Atlanta metropolitan area.

Zheng, Xiaojun↗

Phase retrieval and reconstruction of coherent synthesis by genetic algorithm

Abstract In the context of diffractive optics, phase retrieval is a heavily investigated process of recreating an entire complex electric field from partial amplitude-only information through iterative algorithms. However, existing methods can fall into local minima during reconstructions or struggle to recover unusual and novel electric field distributions. We present a numerical method based on a global-optimization genetic algorithm that reconstructs non-trivial electric field distributions from single diffracted intensity distributions. Diffraction and propagation of the optical fields over arbitrary distances is modeled through implementation of the angular spectrum technique. Additionally, a coherently-locked laser array system is used as an experimental case-study demonstrating 0.09 π phase reconstruction accuracy of initial laser parameters from single intensity images.

59 BASIC BIOLOGICAL SCIENCES↗