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

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At least 1,315 records · Page 73

Integration of Multiple Real-time Simulation Platforms with AIO for Scalability

This paper introduces a practical and scalable approach to extend interoperability of Controller Hardware in the Loop (CHIL) validations for large scale microgrids, networked microgrids, and power electronics-based feeders. The work focuses on integrating multiple real-time simulators using Analog Input/Output (AIO) interface techniques in heterogeneous CHIL environment. It explores interfacing methods, highlighting key challenges related to dynamic accuracy and maintaining bidirectional power balance. A comparative evaluation of the Ideal Transformer Method is presented, assessing its effectiveness in multi-CHIL integration scenarios. The feasibility of this setup is demonstrated through a real-time use case involving multiple Typhoon HIL and Opal-RT platforms, showcasing its applicability for distributed system studies.

Khalid, Mohammad [ORNL] (ORCID:0000000179208805)↗

Real-Time Simulation of Modular Multilevel Converters

Modular multilevel converters (MMCs) are one of the most popular configurations of voltage-source converters (VSCs) used in applications like high-voltage direct current (HVdc) transmission systems and flexible alternate current transmission systems (FACTS). They have a large number of modules with thousands of capacitors and semiconductor devices, which make it hard to simulate in real-time. In this paper, a low-cost high-performance computing (HPC) configuration to simulate MMCs in real-time is proposed. The configuration uses a HPC digital signal processor (DSP) with 8 cores. An advanced MMC simulation algorithm is implemented using HPC techniques to optimize the real-time performance in the DSP. A comparison is performed with existing solutions to show the superiority of the proposed configuration and algorithms.

Debnath, Suman↗

Adaptive building load control to enable high penetration of solar photovoltaic generation

This paper investigates the ability of a collection of deferrable heating, ventilation and air conditioning (HVAC) loads to directly emulate energy storage devices (ESD), that is, to absorb any low frequency fluctuations in solar generation. We find the optimal number of aggregated HVAC loads to absorb solar fluctuation in the same frequency band based on frequency analysis. To guarantee quality of service in afleet of residential buildings, an optimization problem is formed to compute optimal schedule of the HVAC loads considering temperature comfort band and available solar generation. By minimizing the tracking error between solar generation and total consumption, the proposed method also quantifies the minimum capacity of ESD (battery or fly-wheel) . The simulation results show that the proposed techniques are able to achieve good solar tracking performance as well as obtain a minimal ESD capacity. Therefore, we show that most of the renewable generation can be consumed locally through an intelligent coordination of HVAC loads, their impacts on the grid would be minimal and the required ESD capacity can be minimized.

Dong, Jin↗

Privacy-Assured Aggregation Protocol for Smart Metering: A Proactive Fault-Tolerant Approach [Proactive Fault-Tolerant Aggregation Protocol for Privacy-Assured Smart Metering]

Smart meters are integral to demand response in emerging smart grids, by reporting the electricity consumption of users to serve application needs. But reporting real-time usage information for individual households raises privacy concerns. Existing techniques to guarantee differential privacy (DP) of smart meter users either are not fault tolerant or achieve (possibly partial) fault tolerance at high communication overheads. In this paper, we propose a fault-tolerant protocol for smart metering that can handle general communication failures while ensuring DP with significantly improved efficiency and lower errors compared with the state of the art. Our protocol handles fail-stop faults proactively by using a novel design of future ciphertexts, and distributes trust among the smart meters by sharing secret keys among them. We prove the DP properties of our protocol and analyze its advantages in fault tolerance, accuracy, and communication efficiency relative to competing techniques. We illustrate our analysis by simulations driven by real-world traces of electricity consumption.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Fiber Uncertainty Visualization for Bivariate Data With Parametric and Nonparametric Noise Models

Visualization and analysis of multivariate data and their uncertainty are top research challenges in data visualization. Constructing fiber surfaces is a popular technique for multivariate data visualization that generalizes the idea of level-set visualization for univariate data to multivariate data. Here, in this paper, we present a statistical framework to quantify positional probabilities of fibers extracted from uncertain bivariate fields. Specifically, we extend the state-of-the-art Gaussian models of uncertainty for bivariate data to other parametric distributions (e.g., uniform and Epanechnikov) and more general nonparametric probability distributions (e.g., histograms and kernel density estimation) and derive corresponding spatial probabilities of fibers. In our proposed framework, we leverage Green's theorem for closed-form computation of fiber probabilities when bivariate data are assumed to have independent parametric and nonparametric noise. Additionally, we present a nonparametric approach combined with numerical integration to study the positional probability of fibers when bivariate data are assumed to have correlated noise. For uncertainty analysis, we visualize the derived probability volumes for fibers via volume rendering and extracting level sets based on probability thresholds. We present the utility of our proposed techniques via experiments on synthetic and simulation datasets.

97 MATHEMATICS AND COMPUTING↗

TU-CD-207-11: Patient-Driven Automatic Exposure Control for Dedicated Breast CT

Purpose: To implement automatic exposure control (AEC) in dedicated breast CT (bCT) on a patient-specific basis using only the pre-scan scout views. Methods: Using a large cohort (N=153) of bCT data sets, the breast effective diameter (D) and width in orthogonal planes (Wa,Wb) were calculated from the reconstructed bCT image and pre-scan scout views, respectively. D, Wa, and Wb were measured at the breast center-of-mass (COM), making use of the known geometry of our bCT system. These data were then fit to a second-order polynomial “D=F(Wa,Wb)” in a least squares sense in order to provide a functional form for determining the breast diameter. The coefficient of determination (R{sup 2}) and mean percent error between the measured breast diameter and fit breast diameter were used to evaluate the overall robustness of the polynomial fit. Lastly, previously-reported bCT technique factors derived from Monte Carlo simulations were used to determine the tube current required for each breast diameter in order to match two-view mammographic dose levels. Results: F(Wa,Wb) provided fitted breast diameters in agreement with the measured breast diameters resulting in R{sup 2} values ranging from 0.908 to 0.929 and mean percent errors ranging from 3.2% to 3.7%. For all 153 bCT data sets used in this study, the fitted breast diameters ranged from 7.9 cm to 15.7 cm corresponding to tube current values ranging from 0.6 mA to 4.9 mA in order to deliver the same dose as two-view mammography in a 50% glandular breast with a 80 kV x-ray beam and 16.6 second scan time. Conclusion: The present work provides a robust framework for AEC in dedicated bCT using only the width measurements derived from the two orthogonal pre-scan scout views. Future work will investigate how these automatically chosen exposure levels affect the quality of the reconstructed image.

60 APPLIED LIFE SCIENCES↗

Сoncentric GaAs Nanorings Growth Modelling

The nanostructures formation process using the droplet epitaxy technique was investigated by Monte Carlo simulation. The simulation was fulfilled for two-dimensional and three-dimensional geometry substrates. The nanostructures morphology dependence on the growth temperature was presented. Crystal clusters, single and double rings were observed. The nanostructures shape was shown to be determined by the gallium diffusion length. The conditions of double rings formation during the droplet epitaxy were considered using analytical and numerical approaches. The factors that determine the rings location and shape were analyzed. The growth morphology was demonstrated to be dependent on the initial distance L between the droplets. The double ring formation was possible at a low droplet density only, when the As-stabilized region could be created between the droplets.

36 MATERIALS SCIENCE↗

Toward a Theory of Superdense Time in Simulation Models

In this work, we develop a theory of superdense time that encompasses existing uses of superdense time in discrete event simulations and points to new forms that have not previously been explored. A central feature of our development is a set of axioms for superdense time. Furthermore, the sufficiency of these axioms is demonstrated by using them to prove that a general model of a discrete event simulation procedure, expressed in terms of a mathematical system, constitutes a state transition function. Several forms of superdense time, both known and novel, are shown to satisfy the axioms.

97 MATHEMATICS AND COMPUTING↗

BEopt™ (Building Energy Optimization Tool) version 3.0.1 3/16/2023 [SWR-05-41]

The BEopt™ (Building Energy Optimization Tool) software provides capabilities to evaluate residential building designs and identify cost-optimal efficiency packages at various levels of whole-house energy savings along the path to zero net energy. The BEopt software can be used to analyze both new construction and existing home retrofits, as well as single-family detached and multi-family buildings, through evaluation of single building designs, parametric sweeps, and cost-based optimizations. The BEopt software provides detailed simulation-based analysis based on specific house characteristics, such as size, architecture, occupancy, vintage, location, and utility rates. Discrete envelope and equipment options, reflecting realistic construction materials and practices, are evaluated. The BEopt software uses EnergyPlus®, the Department of Energy's flagship simulation engine. Simulation assumptions are based on ANSI/RESNET/ICC Standards and the Building America Housing Simulation Protocols. The sequential search optimization technique used by the BEopt software: Finds minimum-cost building designs at different target energy-savings levels Identifies multiple near-optimal designs along the path, allowing for equivalent solutions based on builder or contractor preference. Download A BEopt™ Version 3.0.1 Beta release (Mar. 16, 2023) is now available. Download the BEopt 3.0.1 Beta setup file.

Christensen, Craig↗

Putting multipoint kinetics to the test: preliminary analysis of the MUSE-4 experiment with APOLLO3

Modeling neutron kinetics is a challenging task and over the years, several approaches have been developed offering different tradeoffs between precision and cost. Probably the most popular one is point kinetics (PK), which, despite being very cheap, provides good results for many applications. One of the limitations of PK is that it is not able to model effects that happen before the prompt jump time scale. In practice, applications, where those time scales are interesting, are rare and those for which experimental data are available are even rarer. One of those cases is the MUSE-4 experiment for which the focus is on the very fast behavior and where we have no thermal feedback. As we have shown in a recent paper, a simple extension of PK, known as multipoint kinetics (MPK), can overcome this limitation. In this paper, which is intended as a preliminary study, we show how a simple MPK model can qualitatively reproduce the fast behavior that we cannot model with PK. Moreover, we will show how to exploit its low cost and compact form to model also slow effects as the precursors built up, behaviours that are not affordable to model with more expensive techniques, such as kinetic Monte Carlo simulations. For the periodic pulse transients with no feedbacks we will also provide an analytical solution in closed form. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

A GPU-based 2D shallow water quality model

In this paper, a 2D shallow water flow solver integrated with a water quality model is presented. The interaction between the main water quality constituents included is based on the Water Quality Analysis Simulation Program. Efficiency is achieved by computing with a combination of a Central Processing Unit (CPU) and a Graphics Processing Unit (GPU) device. This technique is intended to provide robust and accurate simulations with high computation speedups with respect to a single-core CPU in real events. The proposed numerical model is evaluated in cases that include the transport and reaction of water quality components over irregular bed topography and dry–wet fronts, verifying that the numerical solution in these situations conserves the required properties (C-property and positivity). The model can operate in any steady or unsteady form allowing an efficient assessment of the environmental impact of water flows. The field data from an unsteady river reach test case are used to show that the model is capable of predicting the measured temporal distribution of dissolved oxygen and water temperature, proving the robustness and computational efficiency of the model, even in the presence of noisy signals such as wind speed.

54 ENVIRONMENTAL SCIENCES↗

Analysis of the performance of a hybrid CPU/GPU 1D2D coupled model for real flood cases

Coupled 1D2D models emerged as an efficient solution for a two-dimensional (2D) representation of the floodplain combined with a fast one-dimensional (1D) schematization of the main channel. At the same time, high-performance computing (HPC) has appeared as an efficient tool for model acceleration. In this work, a previously validated 1D2D Central Processing Unit (CPU) model is combined with an HPC technique for fast and accurate flood simulation. Due to the speed of 1D schemes, a hybrid CPU/GPU model that runs the 1D main channel on CPU and accelerates the 2D floodplain with a Graphics Processing Unit (GPU) is presented. Since the data transfer between sub-domains and devices (CPU/GPU) may be the main potential drawback of this architecture, the test cases are selected to carry out a careful time analysis. Here, the results reveal the speed-up dependency on the 2D mesh, the event to be solved and the 1D discretization of the main channel. Additionally, special attention must be paid to the time step size computation shared between sub-models. In spite of the use of a hybrid CPU/GPU implementation, high speed-ups are accomplished in some cases.

54 ENVIRONMENTAL SCIENCES↗

Physical and mechanical metallurgy of zirconium alloys for nuclear applications: a multi-scale computational study

In the post-Fukushima world, the stability of materials under extreme conditions is an important issue for the safety of nuclear reactors. Because the nuclear industry is going to continue using advanced zirconium cladding materials in the foreseeable future, it become critical to gain fundamental understanding of the several interconnected problems. First, what are the thermodynamic and kinetic factors affecting the oxidation and hydrogen pick-up by these materials at normal, off-normal conditions, and in long-term storage? Secondly, what protective coatings (if any) could be used in order to gain extremely valuable time at off-normal conditions, e.g., when temperature exceeds the critical value of 2200°F? Thirdly, the kinetics of oxidation of such protective coating or braiding needs to be quantified. Lastly, even if some degree of success is achieved along this path, it is absolutely critical to have automated inspection algorithms allowing identifying defects of cladding as soon as possible. This work strives to explore these interconnected factors from the most advanced computational perspective, utilizing such modern techniques as first-principles atomistic simulations, computational thermodynamics of materials, diffusion modeling, and the morphological algorithms of image processing for defect identification. Consequently, it consists of the four parts dealing with these four problem areas preceded by the introduction and formulation of the studied problems. In the 1st part an effort was made to employ computational thermodynamics and ab initio calculations to shed light upon the different stages of oxidation of ziraloys (2 and 4), the role of microstructure optimization in increasing their thermal stability, and the process of hydrogen pick-up, both in normal working conditions and in long-term storage. The 2nd part deals with the need to understand the influence and respective roles of the two different plasticity mechanisms in Zr nuclear alloys: twinning (at low T) and crystallographic slip (higher T’s). For that goal, a description of the advanced plasticity model is outlined featuring the non-associated flow rule in hcp materials including Zr. The 3rd part describes the kinetic theory of oxidation of the several materials considered to be perspective coating materials for Zr alloys: SiC and ZrSiO 4 . In the 4th part novel and advanced projectional algorithms for defect identification in zircaloy coatings are described. In so doing, the author capitalized on some 12 years of his applied industrial research in this area. Our conclusions and recommendations are presented in the 5th part of this work, along with the list of used literature and the scripts for atomistic, thermodynamic, kinetic, and morphological computations.

36 MATERIALS SCIENCE↗

Two Models of Adhesive Debonding of Sylgard

This report begins with a brief summary of the range of modeling methods used to simulate adhesive debonding. Then the mechanical simulation of the blister debonding test, and the thermomechanical simulation of the potted hemisphere problem are described. For both simulations, details of the chosen modeling techniques, and the reasons for choosing them (and rejecting alternate modeling approaches) will be discussed.

36 MATERIALS SCIENCE↗

An Integrated Study on a Novel High Temperature High Entropy Alloy

This report summarizes our recent works of theoretical modeling, simulation, and experimental validation of the simulation results on the new refractory high entropy alloy (HEA) design and oxide doped refractory HEA research. The simulation of the stability and thermal dynamics simulation on potential thermal stable candidates were performed and related HEA with oxide doped samples were synthesized and characterized. The HEA ab initio density functional theory and molecular dynamics physical property simulation methods and experimental texture validation techniques development, achievements already reached, course work development, students and postdoc training, and future improvement research directions are briefly introduced.

36 MATERIALS SCIENCE↗

An Agile Design-to-Simulation Workflow Using a New Conforming Moving Least Squares Method

This report summarizes the accomplishments and challenges of a two year LDRD effort focused on improving design-to-simulation agility. The central bottleneck in most solid mechanics simulations is the process of taking CAD geometry and creating a discretization of suitable quality, i.e., the "meshing" effort. This report revisits meshfree methods and documents some key advancements that allow their use on problems with complex geometries, low quality meshes, nearly incompressible materials or that involve fracture. The resulting capability was demonstrated to be an effective part of an agile simulation process by enabling rapid discretization techniques without increasing the time to obtain a solution of a given accuracy. The first enhancement addressed boundary-related challenges associated with meshfree methods. When using point clouds and Euclidean metrics to construct approximation spaces, the boundary information is lost, which results in low accuracy solutions for non-convex geometries and mate rial interfaces. This also complicates the application of essential boundary conditions. The solution involved the development of conforming window functions which use graph and boundary information to directly incorporate boundaries into the approximation space.

42 ENGINEERING↗

Electrochemically-Driven Phase Transformations in Battery Compounds (Final Technical Report)

Ion-insertion compounds for advanced batteries frequently exhibit phase transformations as the concentration of the working ion varies. Under the large electrochemical driving forces inherent to practical use, systems are often driven far from equilibrium and exhibit phase transition behavior not seen in other materials. An improved understanding of phase transformation pathways in electrode materials upon cycling will lead to new materials design concepts and electrochemical duty cycle management strategies that improve capacity utilization at high charge/discharge rates, reduce voltage and capacity hysteresis, and extend battery life. The main goal of this project is to develop a predictive understanding of the phase transition behavior of battery compounds when electrochemically driven far from equilibrium through a combined experimental- theoretical approach. Research focuses on elucidating how the phase transition behaviors in a diverse group of selected model systems (olivines, lithium metal, etc.) are regulated by various factors including transformation strains, plasticity, metastable transformation pathways, electrode microstructure, surface reaction and ion diffusion kinetics, and what are the unique features of phase transitions in battery compounds. To this end, operando X-ray-based characterization techniques are applied to interrogate the structure and composition evolution of electrode materials and interfaces at nano- and meso-scales. Mesoscale modeling techniques such as phase-field simulation are employed to shed light on the experimental observations and establish a unified framework for describing phase transition behaviors in battery compounds.

25 ENERGY STORAGE↗