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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Next Gen High Efficiency Boosted Engine Development

This work represents an advanced engineering research project partially funded by the U.S. Department of Energy (DOE). Ford Motor Company, FEV North America, and Oak Ridge National Laboratory collaborated to develop a next generation boosted spark ignited engine concept. The project goals, specified by the DOE, were 23% improved fuel economy and 15% reduced weight relative to a 2015 or newer light-duty vehicle. The fuel economy goal was achieved by designing an engine incorporating high geometric compression ratio, high dilution tolerance, low pumping work, and low friction. The increased tendency for knock with high compression ratio was addressed using early intake valve closing (EIVC), cooled exhaust gas recirculation (EGR), an active pre-chamber ignition system, and careful management of the fresh charge temperature. Engine weight reduction measures were implemented throughout the engine system making use of composite materials, advanced manufacturing techniques, and architectural choices. This report outlines the analytical, design, fabrication, and test work conducted for the duration of the project. The combustion system stability, EGR tolerance, and knock resistance were validated on a single cylinder engine. An inline six-cylinder engine was then designed targeting application in the Ford F150. Multi-cylinder engines were produced and tested achieving the target vehicle fuel economy improvement of 23% assessed using measured engine fuel consumption combined with a vehicle drive cycle simulation. Actions were identified and designs were demonstrated to achieve the 15% weight reduction target. This project included items covering a range of technology readiness levels. Some of the technologies explored are production ready, while others were investigated to understand the limitations for what can be achieved in a stoichiometric, gasoline-fueled, spark-ignited internal combustion engine.

42 ENGINEERING↗
DOE OSTI2020

Large-Scale Adoption of Self-Synchronized Universal Droop Controller-Based Inverters to Enable Ancillary Services for Different Modes of Distribution System Operations

This work proposes the large-scale adoption of self-synchronized universal droop controller (SUDC)-based inverters to enable ancillary services for different modes of distribution system operations. The IEEE 123 bus system was modeled on a real-time simulator to study the performance of large-scale adoption of SUDC inverters in a distribution system. The resulting data collected shows that the voltage and the frequency were regulated within ranges, such as less than 5% for voltage and less than 0.5% for frequency, under different load variations and grid operations. Also, the black start was achieved within 0.4 s without any voltage overshoot. Through the simulation and validation on a small microgrid and the IEEE 123 bus distribution system, it can be concluded that the SUDC was successfully adopted to regulate the voltage and the frequency within the given ranges, and black start achieved within 1 s without voltage overshoot for different modes of distribution system operations.

14 SOLAR ENERGY↗
DOE OSTI2022

Anomalous size effect on yield strength enabled by compositional heterogeneity in high-entropy alloy nanoparticles

High-entropy alloys (HEAs), although often presumed to be random solid solutions, have recently been shown to display nanometer-scale variations in the arrangements of their multiple chemical elements. Here, we study the effects of this compositional heterogeneity in HEAs on their mechanical properties using in situ compression testing in the transmission electron microscope (TEM), combined with molecular dynamics simulations. We report an anomalous size effect on the yield strength in HEAs, arising from such compositional heterogeneity. By progressively reducing the sample size, HEAs initially display the classical “smaller-is-stronger” phenomenon, similar to pure metals and conventional alloys. However, as the sample size is decreased below a critical characteristic length (~180 nm), influenced by the size-scale of compositional heterogeneity, a transition from homogeneous deformation to a heterogeneous distribution of planar slip is observed, coupled with an anomalous “smaller-is-weaker” size effect. Atomic-scale computational modeling shows these observations arise due to compositional fluctuations over a few nanometers. These results demonstrate the efficacy of influencing mechanical properties in HEAs through control of local compositional variations at the nanoscale.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Heat pulse testing at monitoring wells to estimate subsurface fluid velocities in geological CO 2 storage

Monitoring the injected CO 2 during geological CO 2 storage (GCS) is essential to assure containment and identify CO 2 leakage. Here in this work, a new approach is introduced to estimate the evolution of the downhole fluid velocity at a monitoring well and identify CO 2 arrival time using in-well heat pulse/tracer test. The proposed technique involves using a downhole heater to generate a series of heat pulses and measuring their corresponding temperature response. The surface temperature of the downhole heater is controlled by the supplied electrical power and the heat loss by convection to the surroundings. Convective heat transfer is well described using Newton's law of cooling in which the temperature difference between the heater and the surrounding fluids drives the heat transfer, for which the convection heat transfer coefficient (h) controls the magnitude of heat loss. Among various factors that control h, it depends on the type of the flowing fluid and its velocity. Through analyzing the measured temperature at different heat pulses, the changes in h - due to mobilization of the in-situ brine or CO 2 arrival - can be estimated. Consequently, the velocity of the flowing fluid across the heater can be obtained. Since heat transfer by convection is sensitive to the type of the surrounding fluid, intrusion of CO 2 can be detected from the relatively higher surface temperature obtained at CO 2 arrival. Churchill and Bernstein (1977)'s correlation is adopted to estimate the change of fluid velocity in terms of the change in h. To demonstrate the validity of the proposed technique, the results are applied and validated against those of COMSOL Multiphysics simulation tool for single-phase brine (before CO 2 arrival) and single-phase CO 2 (after CO 2 arrival). The observed temperature heating is sensitive to the flowing fluid velocity and fluid type. The temperature signal observed at CO 2 arrival is large and easily detectable using temperature monitoring tool which provides reliable indication for tracking CO 2 arrival at monitoring wells compared with passive temperature monitoring. The results obtained using the proposed technique agree very well with the numerical results obtained from the simulation tool with a maximum estimation error of 7 percent.

02 PETROLEUM↗
DOE OSTI2021

Automated Cyber Security Testing Platform for Industrial Control Systems

Nuclear Power Plants (NPPs) are a complex system of coupled physics controlled by a network of Programmable Logic Controllers (PLCs). These PLCs communicate process data across the network to coordinate control actions with each other and inform the operators of process variables and control decisions. Networking the PLCs allows more effective process control and provides the operator more information which results in more efficient plant operation. This interconnectivity creates new security issues, as operators have more access to the plant controls, so will bad actors. As plant networks become more digitized and encompass more sophisticated controllers, the network surface exposed to cyber interference grows. Understanding the dynamics of these coupled systems of physics, control logic, and network communications is critical to their protection. The research into the cybersecurity of the Operational Technologies of NPPs is developing and requires a platform that can allow high fidelity physics simulations to interact with digital networks of controllers. This will require three main components: a network simulation environment, a physics simulator, and virtual PLCs (vPLC) that represent typical industry hardware. A platform that incorporates these three components to provide the most accurate representation of actual NPP networks and controllers is developed in this paper.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2015

An iterative particle filter approach for coupled hydro-geophysical inversion of a controlled infiltration experiment

The modeling of unsaturated groundwater flow is affected by a high degree of uncertainty related to both measurement and model errors. Geophysical methods such as Electrical Resistivity Tomography (ERT) can provide useful indirect information on the hydrological processes occurring in the vadose zone. In this paper, we propose and test an iterated particle filter method to solve the coupled hydrogeophysical inverse problem. We focus on an infiltration test monitored by time-lapse ERT and modeled using Richards equation. The goal is to identify hydrological model parameters from ERT electrical potential measurements. Traditional uncoupled inversion relies on the solution of two sequential inverse problems, the first one applied to the ERT measurements, the second one to Richards equation. This approach does not ensure an accurate quantitative description of the physical state, typically violating mass balance. To avoid one of these two inversions and incorporate in the process more physical simulation constraints, we cast the problem within the framework of a SIR (Sequential Importance Resampling) data assimilation approach that uses a Richards equation solver to model the hydrological dynamics and a forward ERT simulator combined with Archie's law to serve as measurement model. ERT observations are then used to update the state of the system as well as to estimate the model parameters and their posterior distribution. The limitations of the traditional sequential Bayesian approach are investigated and an innovative iterative approach is proposed to estimate the model parameters with high accuracy. The numerical properties of the developed algorithm are verified on both homogeneous and heterogeneous synthetic test cases based on a real-world field experiment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Versatile Test Reactor Conceptual Core Design

The VTR is a 300-MW(thermal) sodium-cooled fast reactor (SFR) designed for the specific purpose of delivering unique testing capabilities to enable the advancement of all reactor technologies. With its flux level, irradiation volume, and operational flexibility, the VTR will enable accelerated testing of materials, fuels, and various components needing irradiation testing. Proven SFR technologies and design approaches have been leveraged in designing the VTR core, ensuring the highest possible readiness level. This resulted in the VTR using ternary metallic fuel and delivering fast flux levels in excess of 4 x 10 15 n/cm 2 ∙ s over large useful volumes, corresponding to about 60 dpa/year in steel. As part of the design efforts, the VTR core performance has been determined for a representative configuration, ensuring that the reactivity control systems offer sufficient shutdown margins, that the core can be safely cooled in all situations, and that reactivity feedback coefficients are conducive to a favorable safety behavior. Furthermore, the incorporation of features such as fuel assembly storage in the shield region supports the flexible and reliable operation of the VTR. Additional design work has been ongoing as well. This includes thorough shielding performance evaluations to ensure safe operation of the VTR, verification and validation of the design tools used to achieve compliance with Nuclear Quality Assurance (NQA-1) requirements, early assessment of the impact of irradiation experiments on the core performance envelope and associated margins, and in-depth uncertainty quantification efforts to quantify the anticipated range of performance characteristics. An experimental program supporting the VTR core design has been set up, with the current focus being on thermal-hydraulic experiments. The purpose of this experimental program is to obtain confirmatory measurements to serve directly as part of the core design basis or as part of the validation cases supporting the simulation tools used.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Experimental validation of a Kalman observer using linearized OpenFAST and a fully instrumented 1:70 model

Abstract To enable real‐time monitoring and control strategies for floating offshore wind turbines, accurate information about the state of the system is needed. This paper details the application of a Kalman filter to the UMaine VolturnUS‐S floating wind platform to provide accurate state estimates in real time using minimal system measurements. The midfidelity nonlinear simulation tool OpenFAST was used to generate the underlying linear state‐space model for the Kalman filter. This linear model and its limitations are demonstrated through comparison with experimental data collected on a 1:70 froude‐scaled model of the floating platform and tower. Using a selection of five measurements from the real system, a Kalman filter was developed to provide estimates for the remaining system states and measurements. These estimates were then validated against the experimental values collected from testing of the scale model. Validation of the Kalman filter produced accurate estimates of surge, heave, and tower base bending moment, measurements of which were not available to the Kalman filter. Performance of the Kalman filter was tested and validated over a range of sea conditions from rated wind speed to storm events and demonstrated robustness in the Kalman filter to maintain accuracy across all operating conditions despite significant error in the underlying linear model for extreme conditions.

17 WIND ENERGY↗
DOE OSTI2016

Field measurement of moisture-buffering model inputs for residential buildings

Moisture adsorption and desorption in building materials impact indoor humidity. This effect should be included in building-energy simulations, particularly when humidity is being investigated or controlled. Several models can calculate this moisture-buffering effect, but accurate ones require model inputs that are not always known to the user of the building-energy simulation. This research developed an empirical method to extract whole-house model inputs for the effective moisture penetration depth (EMPD) model. The experimental approach was to subject the materials in the house to a square-wave relative-humidity profile, measure all of the moisture-transfer terms (e.g., infiltration, air-conditioner condensate), and calculate the only unmeasured term—the moisture sorption into the materials. We validated this method with laboratory measurements, which we used to measure the EMPD model inputs of two houses. After deriving these inputs, we measured the humidity of the same houses during tests with realistic latent and sensible loads and demonstrated the accuracy of this approach. Furthermore, these results show that the EMPD model, when given reasonable inputs, is an accurate moisture-buffering model.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Isolating Chemical Reaction Mechanism as a Variable with Reactive Coarse-Grained Molecular Dynamics: Step-Growth versus Chain-Growth Polymerization

Here we present a general approach to isolate chemical reaction mechanism as an independently controllable variable across chemically distinct systems. Modern approaches to reduce the computational expense of molecular dynamics simulations often group multiple atoms into a single “coarse-grained” interaction site, which leads to a loss of chemical resolution. In this work we convert this shortcoming into a feature and use identical coarse-grained models to represent molecules that share nonreactive characteristics but react by different mechanisms. As a proof of concept, we use this approach to simulate and investigate distinct, yet similar, trifunctional isocyanurate resin formulations that polymerize by either chain- or step-growth. Because the underlying molecular mechanics of these models are identical, all emergent differences are a function of the reaction mechanism only. We find that the microscopic morphologies resemble related all-atom simulations and that simulated mechanical testing reasonably agrees with experiment.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A Study on the Use of XCT and FEA to Predict the Elastic Behavior of Additively Manufactured Parts of Cylindrical Geometry

Defining general criteria for the acceptability of defects within industrial components is often complicated, since the specific load conditions and the criticality of the given application should be considered individually. In order to minimize the risk of failure, high safety factors are commonly adopted during quality control. However this practice is likely to cause the rejection of components whose defects would be instead acceptable if a more sound knowledge of the component behaviour were achieved. Parts produced by additive manufacturing (AM) may suffer from various defects, including micro- or macro-holes, delamination and microstructural discontinuities. Such processes, which are specially suitable for one-off components, require robust and reliable inspection before a part is accepted or rejected, since the refusal of even a single part at the end of the production process represents a significant loss. For this reason, it would be very useful to simulate in a reliable way whether a certain defect is truly detrimental to the proper working of the part during operation or whether the component can still be used, despite the presence of a defect. To this purpose, the paper highlights the benefits of a synergistic interaction between Industrial X-ray computed tomography (XCT) and finite element analysis (FEA). Internal defects of additively manufactured parts can be identified in a non-destructive way by means of XCT. Then FEA can be performed on the XCT-based virtual model of the real component, rather than on the ideal CAD geometry. A proof of concept of this approach is proposed here for a reference construct produced in an Aluminium alloy by AM. Numerical results of the proposed combined XCT–FEA procedure are contrasted with experimental data from tensile tests. The findings sustain the reliability of the method and allow to assess its full provisional accuracy for parts of cylindrical geometry designed to operate in the elastic field. The paper moves a step beyond the present application limits of tomography as it is currently employed for AM parts and it evidences instead the possibility of extending the usage of tomography to acceptance testing and prediction of operative behaviour.

42 ENGINEERING↗
DOE OSTI2019

Active Mixing of Reactive Materials for 3D Printing

The mixing of materials during additive manufacturing is a major benefit which allows one to compositionally and spatially tailor material properties, for example to locally control the reactivity in fuel–oxidizer systems known as thermites. This work characterizes an active mixing printhead used in conjunction with a 3D printing process known as Direct Ink Writing. Besides compositional control, a major benefit of this approach is that it offers a safe method for working with these materials, which can otherwise be hazardous once mixed. Custom fuel and oxidizer inks are fed at fixed volumetric rates into an active mixing printhead, and both the rotational speed of the mixing impeller as well as the fuel–oxidizer ratio are varied. Upon ignition, the propagation speed increases with the rotational speed of the mixer and plateaus above a critical value of ≈750 rpm. The critical mixing speed is corroborated by computational fluid simulations and an analytical expression that considers the inks’ complex fluid behavior. Additionally, varying the composition results in a wide range of propagation speeds with peak reactivity corresponding to a fuel–rich formulation ( Φ = 1.5). As a result, a test article incorporating a fast– and slow–burning region demonstrates how spatial composition can manipulate the reactivity.

3D printing↗
DOE OSTI2023

Ablation loading of barium ions into a surface-electrode trap

Trapped-ion quantum information processing may benefit from qubits encoded in isotopes that are practically available in only small quantities, e.g., due to low natural abundance or radioactivity. Laser ablation provides a method of controllably liberating neutral atoms or ions from low-volume targets, but energetic ablation products can be difficult to confine in the small ion-electrode distance, micron-scale microfabricated traps amenable to high-speed, high-fidelity manipulation of ion arrays. Here, we investigate ablation-based ion loading into surface-electrode traps of different sizes to test a model describing ion loading probability as a function of effective trap volume and other trap parameters. We characterize loading of ablated barium from a metallic source in two cryogenic surface-electrode traps with 730 and 50 μm ion-electrode distances. Furthermore, our loading rate agrees with a predictive analytical model, providing insight for the confinement of limited-quantity species of interest for quantum computing, simulation, and sensing.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Document-Based Nuclear Archaeology

Deeper reductions in the nuclear arsenals will require better understanding of historic fissile material management and production. The concept of “nuclear archaeology” has been considered since the 1990s to provide the tools and methods to develop independent production estimates, primarily based on nuclear forensic techniques. Here, we propose to add a framework for reconstructing the history of a nuclear program that complements traditional nuclear archaeology techniques by examining the role of operating records to support such an effort. As a test case, we use the JEEP II reactor, a 2 MW civilian research reactor at Norway’s Institute for Energy Technology (IFE), in operation for more than fifty years, however, recently shut down permanently. We have collected, analyzed, and started to preserve the reactor’s operating records, which exist on both analog and digital media, and to simulate parts of its history using OpenMC/ONIX neutronics calculations. Here, a particular focus of this project has been on digital data curation and preservation to confirm and maintain the integrity, authenticity, and provenance of these records. In developing guidelines for best practices that conform to existing standards for long-term digital preservation and curation, we hope this project can help lay the basis for future nuclear archaeology efforts to support nuclear arms control and disarmament.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2016

Limited‐memory adaptive snapshot selection for proper orthogonal decomposition

Summary Reduced order models are useful for accelerating simulations in many‐query contexts, such as optimization, uncertainty quantification, and sensitivity analysis. However, offline training of reduced order models (ROMs) can have prohibitively expensive memory and floating‐point operation costs in high‐performance computing applications, where memory per core is limited. To overcome this limitation for proper orthogonal decomposition, we propose a novel adaptive selection method for snapshots in time that limits offline training costs by selecting snapshots according an error control mechanism similar to that found in adaptive time‐stepping ordinary differential equation solvers. The error estimator used in this work is related to theory bounding the approximation error in time of proper orthogonal decomposition‐based ROMs, and memory usage is minimized by computing the singular value decomposition using a single‐pass incremental algorithm. Results for a viscous Burgers' test problem demonstrate convergence in the limit as the algorithm error tolerances go to zero; in this limit, the full‐order model is recovered to within discretization error. A parallel version of the resulting method can be used on supercomputers to generate proper orthogonal decomposition‐based ROMs, or as a subroutine within hyperreduction algorithms that require taking snapshots in time, or within greedy algorithms for sampling parameter space. Copyright © 2016 John Wiley & Sons, Ltd.

Oxberry, Geoffrey M.↗
DOE OSTI2020

Redshift inference from the combination of galaxy colours and clustering in a hierarchical Bayesian model – Application to realistic N -body simulations

ABSTRACT Photometric galaxy surveys constitute a powerful cosmological probe but rely on the accurate characterization of their redshift distributions using only broad-band imaging, and can be very sensitive to incomplete or biased priors used for redshift calibration. A hierarchical Bayesian model has recently been developed to estimate those from the robust combination of prior information, photometry of single galaxies, and the information contained in the galaxy clustering against a well-characterized tracer population. In this work, we extend the method so that it can be applied to real data, developing some necessary new extensions to it, especially in the treatment of galaxy clustering information, and we test it on realistic simulations. After marginalizing over the mapping between the clustering estimator and the actual density distribution of the sample galaxies, and using prior information from a small patch of the survey, we find the incorporation of clustering information with photo-z’s tightens the redshift posteriors and overcomes biases in the prior that mimic those happening in spectroscopic samples. The method presented here uses all the information at hand to reduce prior biases and incompleteness. Even in cases where we artificially bias the spectroscopic sample to induce a shift in mean redshift of $\Delta \bar{z} \approx 0.05,$ the final biases in the posterior are $\Delta \bar{z} \lesssim 0.003.$ This robustness to flaws in the redshift prior or training samples would constitute a milestone for the control of redshift systematic uncertainties in future weak lensing analyses.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Field-Scale Lysimeter Studies of Glass and Cementitious Waste Forms at the Hanford Site - 20392

The Hanford site Integrated Disposal Facility (IDF) will receive waste forms from vitrification activities at the Hanford Waste Treatment and Immobilization Plant (WTP). The waste form inventory to be disposed of at the IDF will consist of vitrified low-activity waste (LAW) in glass forms and solidified (or encapsulated) secondary wastes in cementitious forms. The IDF is a near-surface burial facility located near Hanford's Waste Treatment and Immobilization Plant in the 200 East Area of the site's Central Plateau. An extensive set of laboratory experimental data has been collected to support IDF performance assessment calculations of the eventual degradation of waste forms and mobility of contaminants. This paper describes the start of a field experiment to generate waste-form performance data on a larger scale (tens of centimeters), over a longer duration (five years or more), and under field conditions representative of the IDF. Results from this study are expected to improve model descriptions of contaminant mobility, reduce uncertainties about the representativeness of laboratory results in the IDF performance assessment, improve stakeholder confidence in the safe disposal of treated waste at the IDF, and facilitate the adoption of informed facility designs with the potential to reduce operational costs. A lysimeter test facility near Hanford's 200 West Area has been repurposed to carry out long-term assessments of waste forms buried in sediments excavated from the IDF. The waste forms are buried in large drainage lysimeters, open caissons that are two meters in diameter and three meters deep. Waste forms are buried in up to six locations in each lysimeter. Samplers collect pore water and drainage water beneath the waste forms and air from the pore space adjacent to waste forms. Sensors measure temperature, soil water content, soil water tension, and drainage flux. One lysimeter containing cementitious waste forms and one containing glass waste forms have been completed, along with a control lysimeter (without waste forms). The cementitious waste forms are Cast Stone grout formulations using a liquid secondary waste simulant and a generic Hanford high-salt simulant, as well as a hydrated lime-based grout formulation using a liquid secondary waste simulant. Technetium-99 and iodine-127 were added as tracers to monitor contaminant mobility. Glass waste forms were fabricated in two formulations (LAWA44 and ORLEC28), with rhenium and molybdenum tracers to monitor waste form degradation. The predicted performance of the waste forms in the lysimeters was modeled prior to installation to determine waste form size, tracer concentration/activity, and locations of sensors and samplers. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Evaluating Thermostats’ Deadbands Using HVAC Hardware-In-the-Loop Experiment for Advanced Control Strategies

Thermostats play a crucial role in energy consumption, user control, and occupant comfort by serving as the interface between the heating, ventilation, and air conditioning (HVAC) system and the building's occupants. The deadband, also referred to as temperature differential, is defined as the temperature difference between the desired setpoint and upper threshold or lower threshold for the HVAC equipment to turn on or off. It is a key factor influencing energy efficiency and user satisfaction. This paper presents a comparative analysis of the deadbands of five different thermostats, tested with a residential heat pump, aiming to identify variations in their deadband settings and implications for energy usage and management. The experimental study was conducted using a HVAC hardware-in-the-loop (HIL) system that allows thermostats to be connected with physical HVAC equipment, driven by conditions in a simulated residential building. The study explores the trade-offs between energy efficiency and occupant comfort and highlights how different thermostats cycle differently based on their deadband settings. The findings offer valuable insights into how thermostat deadband affects comfort and energy use, as well as the cycling frequency of a heat pump.

Ramaraj, Sugirdhalakshmi [National Renewable Energ↗