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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 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Process design tools and techno-economic analysis for capacitive deionization

Capacitive deionization (CDI) devices use cyclical electrosorption on porous electrode surfaces to achieve water desalination. Process modeling and design of CDI systems requires accurate treatment of the coupling among input electrical forcing, input flow rates, and system responses including salt removal dynamics, water recovery, energy storage, and dissipation. Techno-economic analyses of CDI further require a method to calculate and compare between a produced commodity (e.g. desalted water) versus capital and operational costs of the system. In this work, we demonstrate a new modeling and analysis tool for CDI developed as an installable Matlab program that allows direct numerical simulation of CDI dynamics and calculation of key performance and cost parameters. The program is provided for free and is used to run open-source Simulink models. The Simulink environment sends information to the program and allows for a drag and drop design space where users can connect CDI cells to relevant periphery blocks such as grid energy, battery, solar panel, waste disposal, and maintenance/labor cost streams. The program allows for simulation of arbitrary current forcing and arbitrary flow rate forcing of one or more CDI cells. We employ validated well-mixed reactor formulations together with a non-linear circuit model formulation that can accommodate a variety of electric double layer sub-models (e.g. for charge efficiency). The program includes a graphical user interface (GUI) to specify CDI plant parameters, specify operating conditions, run individual tests or parameter batch-mode simulations, and plot relevant results. The techno-economic models convert among dimensional streams of species (e.g. feed, desalted water, and brine), energy, and cost and enable a variety of economic estimates including levelized water costs.

42 ENGINEERING↗
DOE OSTI2019

Measurement of kernel swelling and buffer densification in irradiated UCO and UO 2 TRISO fuel particles from AGR-2

The second Advanced Gas Reactor irradiation (AGR-2) featured UCO tristructural isotropic (TRISO)-coated particle fuel and, for comparison purposes, UO2 TRISO fuel. Particles from three UCO fuel compacts and one UO2 fuel compact were chosen for analysis of kernel swelling and buffer shrinkage. Both kernel swelling and buffer shrinkage are common elements of TRISO fuel performance models. More recently, the AGR program has determined that buffer shrinkage may impact the integrity of the inner pyrolytic carbon (IPyC) layer, which may impact SiC layer integrity (particularly during high-temperature heating tests). Therefore, measurements of buffer irradiation-induced shrinkage may be useful in improving existing models and developing new models that capture buffer-IPyC-SiC-fission product interactions observed in recent AGR post-irradiation examination (PIE). TRISO particles were mounted in epoxy, ground, polished, and imaged via optical microscopy in four separate iterations. Each of the four iterations revealed progressively deeper cross sections within the particles. Images collected from each iteration were analyzed for the circumferences/radii of the kernel, buffer, IPyC, and SiC. Spheres were fit to each set of measurements to generate spherical radii representative of the components of the fuel particle. From these radii, volumes were computed and compared to the as-fabricated volumes. UCO kernel swelling was similar among the three AGR-2 compacts ranging from approximately 28 to 32%. This is only slightly higher swelling than was measured in an earlier study of an AGR-1 compact. However, the burnup at which this swelling occurred in AGR-2 was lower than in AGR-1, indicating a faster swelling rate for the AGR-2 kernels for the irradiation conditions covered by these compacts. The AGR-2 UO2 kernel swelling was less, at 9.9%, comparable to other studies of UO2 kernel swelling. While AGR-2 UCO and UO2 kernels demonstrated different rates of swelling, the extent of buffer shrinkage was similar among the two fuel types, ranging from 24-28%. For comparison, a prior study showed that AGR-1 Compact 1-3-1 experienced 39% buffer shrinkage. A commonly-observed post-irradiation particle morphology is where the buffer pulls away from the IPyC (at least in some regions of the particle). Besides the possibility of the buffer degrading the IPyC when it pulls away from the IPyC, this gap is significant because it may also reduce heat transfer within the particle. Average AGR-2 buffer-IPyC gaps were similar for the UCO and UO2 particles, ranging from 22.2 to 26.0 µm. This is similar to what was measured for AGR-1 Compact 1-3-1.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Evaluation of statistical variation of microstructural properties and temperature effects on creep fracture of Grade 91

This report describes three improvements made to a physically-based model for creep and creep rupture in Grade 91 steel developed as part of the Advanced Reactor Technologies program: 1. Progress on transitioning the model framework to the MOOSE finite element package to improve parallel scalability, increase the physical size of the simulations, and incorporate multiphysics effects into the model. 2. The development of a physically-based method of scaling the model parameters to accurately capture creep in Grade 91 for temperatures in the range of 450° to 500° C. 3. Extending the model to account for microstructural statistical variations, specifically capturing the effect of grain boundary energy on the physical parameters underling the model for grain boundary void nucleation and cavitation. Put together, these improvements result in an accurate, predictive model for the physical response of Grade 91 steel over the expected use temperature range for the material in future liquid metal cooled fast reactors. The model can be used to more accurately predict engineering properties of the material for very long service lives, which could lead to safer, more economical future advanced reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Status of Mechanistic Fission Gas Model in High-Burnup Fuel

A desire to increase fuel burnup to decrease the cost of nuclear power plants has led to significant interest within the nuclear industry to develop improved understanding of high-burnup nuclear fuel microstructure and the potential for fuel fragmentation, relocation, and dispersal that contribute to burnup and safe operating limits. This milestone report describes joint research activities and program planning to develop mechanistic models for high-burnup UO 2 microstructure, including both intra- and intergranular gas bubble populations and fission gas release, specifically associated with transient release. This model development is being extensively leveraged against a rapidly growing experimental database of high-fidelity electron microscopy characterization of commercial, light water reactor fuel in the as-irradiated condition as well as that following simulated loss-of-coolant test conditions. This report describes the status of model development, highlights recent microstructural data, and summarizes the data needs to complete initial development and experimental validation of mechanistic models of fission gas and microstructural evolution at high burnup, as well as transient fission gas release.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Chance-constrained Service Restoration for Distribution Networks with Renewables

Power systems operation is facing great challenges from natural disasters and cyber-attacks. It is critical but also difficult to enhance the reliability and resilience against extreme events. To better response to inevitable outages or blackouts, service restoration in distribution networks is important to minimize the disastrous impacts of catastrophic events. The increasing penetration of distributed energy resources (DERs) provides new opportunities to expedite the restoration process. However, the coordination with conventional distribution system control devices and the uncertainty and variability of intermittent renewable energy resources requires new operation and control strategies for distribution service restoration (DSR). This paper develops an optimal bottom-up DSR strategy by coordinating DERs with voltage regulators and capacitor banks. The chance-constrained (CC) programming approach is used to model the probabilistic output limit of solar radiation and PV generation. The Markov's inequality and Latin hypercube sampling techniques are applied to convert and incorporate the chance constraints into the DSR optimization problem. The CC-DSR problem is formulated as a mixed integer convex programming problem, considering various operational cost functions and bidirectional three-phase unbalanced load flow. Simulation results on the modified IEEE 13-node test feeder system demonstrate the effectiveness and flexibility of the bottom-up DSR strategy.

Chance constrained optimization, Distribution serv↗
DOE OSTI2022

Predicting Performance of Macroalgae Farms with Hydrodynamic and Biological Modeling

As part of the ARPA-E MARINER program a set of simulation tools and findings were developed for the hydrodynamic, biological, and economic modeling of large scale offshore macroalgae farms. Results suggest the utility of the tools in understanding the complex interplay of design choices and environmental conditions on the structural loading and farm performance which drive the costs for macroalgae production.

09 BIOMASS FUELS↗
DOE OSTI2020

Improving operational flexibility of integrated energy system with uncertain renewable generations considering thermal inertia of buildings

Insufficient flexibility in system operation caused by traditional "heat-set" operating modes of combined heat and power (CHP) units in winter heating periods is a key issue that limits renewable energy consumption. In order to reduce the curtailment of renewable energy resources through improving the operational flexibility, a novel optimal scheduling model based on chance-constrained programming (CCP), aiming at minimizing the lowest generation cost, is proposed for a small-scale integrated energy system (IES) with CHP units, thermal power units, renewable generations and representative auxiliary equipments. In this model, due to the uncertainties of renewable generations including wind turbines and photovoltaic units, the probabilistic spinning reserves are supplied in the form of chance-constrained; from the perspective of user experience, a heating load model is built with consideration of heat comfort and inertia in buildings. To solve the model, a solution approach based on sequence operation theory (SOT) is developed, where the original CCP-based scheduling model is tackled into a solvable mixed-integer linear programming (MILP) formulation by converting a chance constraint into its deterministic equivalence class, and thereby is solved via the CPLEX solver. We report the simulation results on the modified IEEE 30-bus system demonstrate that the presented method manages to improve operational flexibility of the IES with uncertain renewable generations by comprehensively leveraging thermal inertia of buildings and different kinds of auxiliary equipments, which provides a fundamental way for promoting renewable energy consumption.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Transient Efficiency Flexibility and Reliability Optimization of Coal-Fired Power Plants: Model-Predictive Control Library Development (Report)

This document pertains to the reporting requirements of DOE contract FE-0031767. The document covers the development of a model predictive control (MPC) library for implementing MPC for a general dynamic system. The library is implemented in a standardized manner in Matlab/Simulink, where core functions on model prediction, linearization and formulation and solution of a quadratic programming (QP) optimization problem is done in the core library - independent of the specific application. The user can provide the application-specific dynamic model in continuous and discrete time, to rapidly implement and test the MPC performance in a desktop simulation. The MPC optimization objective and constraints are also easily configured via an Excel file to allow iterative refinement as needed. Finally, the MPC library enables a rapid deployment to a target environment through auto C-code generation and containerization. The MPC library works seamlessly with the model based estimation (MBE) library to obtain the overall output feedback control solution. In this program, the reduced order model (ROM) of a coal-fired power plant (CFPP) is used to implement and test the MPC solution.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Nuclear Materials Process Modeling at the Y-12 National Security Complex

The Y-12 National Security Complex (Y-12) has implemented process modeling for various accountable nuclear materials operations that are performed throughout the plant. Using a discrete, event-based dynamic simulation program, key nuclear material streams are modeled, allowing Y-12 to effectively manage numerous points of interest within the plant’s production operations. Integration of the various material processes into a single, interdependent supply and demand model is one of the ongoing focuses within Y-12’s process modeling effort. The primary purpose of using dynamic simulation modeling is to allow for analysis of the nuclear materials inventories and forecasted supplies based on future demands. Analysis of these inventories includes capacity evaluation, bottleneck mitigation, and assessments of individual pieces of equipment to inform future facility investment decisions and associated project schedules. Modeling of the nuclear materials processes throughout the complex also allows for incorporation of changes relevant to production capabilities such as the upcoming transition of specific operations to the new Uranium Processing Facility. Prior to implementation of process modeling, Y-12 forecasted supply and demand of accountable nuclear materials streams using Microsoft Excel. With deterministic models such as Microsoft Excel, the annual forecasts, generated within data input condition parameters, can only provide a fixed point of data. Fixed data cannot simulate integrated material streams and account for the possibility of occurrences and other changes that dynamic simulations take into consideration. Y-12’s dynamic process modeling allows integrated simulations of multiple accountable nuclear materials processes, including supply and demand forecasting and analysis, and is a coordinated effort involving many steps of verification and validation (V&V), site briefings, testing, reporting, data mining, planning, and documentation that spans various programs throughout the Y-12 complex.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Supplying materials needed for grain growth characterizations of nano-grained UO 2

This activity is supported by the US Nuclear Energy Advanced Modeling and Simulation (NEAMS) Fuels Product Line (FPL) and aims at providing experimental data for the validation of the mesoscale simulation code MARMOT. MARMOT is a mesoscale multiphysics code that predicts the coevolution of microstructure and properties within reactor fuel during its lifetime in the reactor. It is an important component of the Moose-Bison-Marmot (MBM) code suite that has been developed by Idaho National Laboratory (INL) to enable next generation fuel performance modeling capability as part of the NEAMS Program FPL. In order to ensure the accuracy of the microstructure based materials models being developed within the MARMOT code, extensive validation efforts must be carried out. In this report, we summarize our preliminary synchrotron radiation experiments at APS to determine the grain size of nanograin UO 2 . The methodology and experimental setup developed in this experiment can directly apply to the proposed in-situ grain growth measurements. The investigation of the grain growth kinetics was conducted based on isothermal annealing and grain growth characterization as functions of duration and temperature. The kinetic parameters such as activation energy for grain growth for UO 2 with different stoichiometry are obtained and compared with molecular dynamics (MD) simulations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

Synchrotron characterization of nanograined UO 2 grain growth

This activity is supported by the US Nuclear Energy Advanced Modeling and Simulation (NEAMS) Fuels Product Line (FPL) and aims at providing experimental data for the validation of the mesoscale simulation code MARMOT. MARMOT is a mesoscale multiphysics code that predicts the coevolution of microstructure and properties within reactor fuel during its lifetime in the reactor. It is an important component of the Moose-Bison-Marmot (MBM) code suite that has been developed by Idaho National Laboratory (INL) to enable next generation fuel performance modeling capability as part of the NEAMS Program FPL. In order to ensure the accuracy of the microstructure based materials models being developed within the MARMOT code, extensive validation efforts must be carried out. In this report, we summarize our preliminary synchrotron radiation experiments at APS to determine the grain size of nanograin UO 2 . The methodology and experimental setup developed in this experiment can directly apply to the proposed in-situ grain growth measurements. The investigation of the grain growth kinetics was conducted based on isothermal annealing and grain growth characterization as functions of duration and temperature. The kinetic parameters such as activation energy for grain growth for UO 2 with different stoichiometry are obtained and compared with molecular dynamics (MD) simulations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

The Fundamental Creep Behavior Model of Gr.91 Alloy by ICME Approach (Final Report)

The current project mainly focused on the fundamental creep cracking mechanism of the Grade 91 system during the operation conditions in the advanced technologies FE power plants and build the link among Composition-Processing Parameters-Phase Stability-Microstructure-Creep Resistance. A model based on computational thermodynamics and diffusion kinetics will be developed to provide guidance on how to improve the creep resistance of the alloy system. The PI mainly investigate the Gr.91 base alloy and weldment with the Integrated Computational Materials Engineering (ICME) approach. The long-term goal of the proposed program is to develop a model for creep and fatigue resistant alloys with different elemental systems, compositions, and processing parameters of weldment and heat-treatment. In addition, new creep and fatigue resistant alloys are to be designed based on the predictions from the model. The computational as well as experimental results include three sections: 1) The compositional optimization and secondary phases evaluation regarding the creep resistance in Grade 91 steel through the CALPHAD approach. In this section, the formation of the critical secondary phases, M23C6, MX and Z-phase were well predicted based on many conditions like the temperature as well as compositions. Meanwhile, the role of different alloying elements was also considered as they will directly affect the formation of the secondary phases mentioned above based on the compositional evolution of the alloying elements. 2) An investigation of Creep Resistance in Grade 91 Steel through Computational Thermodynamics. We systematically considered the evolution of the four critical temperatures, Ac3, Ac1, the threshold of M23C6 and Z-phase, on basis of the computational approach. Meanwhile, the equilibrium cooling as well as Scheil simulations were also considered to perform further predictions based on the different cooling rates. 3) Creep lifetime and microstructural evolution of the Grade 91 steel. In this part, mainly experimental approach was performed on the real creep test from the beginning of the commercial Gr.91 alloys. The alloys were normalized, tempered, welded (Gleeble) and PWHT and finally subjected to the creep lifetime analyses. Finally, all the samples after each process were further characterized based on the OM, XRD and SEM technique to draw final conclusions.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Source Term Reduction for Advanced and Small Modular Boiling Water Reactors

The United States Department of Energy (US DOE) is currently supporting the development of various advanced and small modular reactor (SMR) designs. Several of these designs have commenced license application with the US Nuclear Regulatory Commission (US NRC). These reactors have improved safety features that may significantly reduce radiological source terms in the event of design and beyond-design basis accidents. Specifically, some reactors feature a smaller containment volume relative to the available fission product depositional surface area, which supports increased fission product retention in the containment vessel. Pressurized water reactors (PWR) and boiling water reactors (BWR) with this feature include the integral pressurized water reactor (iPWR) and the BWRX-300 design by General Electric. A prior research program supported by the US DOE quantified the source term reduction associated with light water iPWRs and developed iPWR-specific theoretical models for fission product deposition rates. This program included a sequence of research projects that started with a feasibility study, development of theoretical models that predict higher deposition rates, and finally, development of empirical data for verification and validation of the theoretical models. The current project, which is a feasibility study, is the first step in a similar program to quantify the source term reduction associated with small and advanced light water BWRs.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Electromagnetic signals of inelastic dark matter scattering

Light dark sectors in thermal contact with the Standard Model can naturally produce the observed relic dark matter abundance and are the targets of a broad experimental search program. A key light dark sector model is the pseudo-Dirac fermion with a dark photon mediator. The dynamics of the fermionic excited states are often neglected. We consider scenarios in which a nontrivial abundance of excited states is produced and their subsequent de-excitation yields interesting electromagnetic signals in direct detection experiments. We study three mechanisms of populating the excited state: a primordial excited fraction, a component up-scattered in the Sun, and a component up-scattered in the Earth. We find that the fractional abundance of primordial excited states is generically depleted to exponentially small fractions in the early universe. Nonetheless, this abundance can produce observable signals in current dark matter searches. MeV-scale dark matter with thermal cross sections and higher can be probed by down-scattering following excitation in the Sun. Up-scatters of GeV-scale dark matter in the Earth can give rise to signals in current and upcoming terrestrial experiments and X-ray observations. We comment on the possible relevance of these scenarios to the recent excess in XENON1T.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Evaluating and Improving Convective Parameterization for GCMs Using ARM Observations. Final report

This technical report summarizes the achievements during the project period funded by the Atmospheric System Research (ASR) program. The general goal of the project is to improve the representation of atmospheric deep convection in global climate models. By using DOE Atmospheric Radiation Measurement (ARM) program observations and a hierarchy of models from cloud-resolving to global climate models, we evaluated and improved many aspects of convection parameterization schemes, such as the trigger function for convection and closure condition to determine the amount of convection. We also incorporated the stochasticity of convection into a convection scheme. These improvements, when implemented into the National Center for Atmospheric Research (NCAR) Community Earth System Model (CESM) and the DOE Exascale Energy Earth System Model (E3SM), led to improved simulation of precipitation characteristics, including precipitation intensity, Intertropical Convergence Zone, and Madden-Julian oscillation. The project also improved the representation of microphysical processes in convective clouds. It enables the interaction of cloud microphysics with aerosols in weather and climate models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

High Yield, Economical and Environmentally Benign Production of Rare Earth Elements from Coal Ash (Phase II Final Summary Report)

Fly ash stored in landfills and ponds across the United States is an attractive, abundant domestic resource for the cost-effective recovery of rare earth elements (REE) and other critical minerals (CM). Physical Sciences Inc. (PSI) and its team members, Winner Water Services (WWS) and University of Kentucky/Center for Applied Energy Research (UK/CAER) successfully executed a multiphase program that developed technologies and their implementation in a pilot plant. We demonstrated plant operations for cost-effective and environmentally-friendly production of rare earth element oxide (REO) concentrates, and the critical minerals scandium and aluminum (in the forms of salts or oxide products), from coal ash. We also constructed and demonstrated a research-scale (0.5 kg/day) micropilot facility to validate the key physical and chemical processing operations, predict yields, and troubleshoot process bottlenecks. The project team then designed, constructed and operated two decoupled pilot plants: (1) an operational pilot plant for physical separation processes with capacity of 0.4 metric tons per day (tpd), where we optimized processes to produce selected ash fractions as the feedstock for chemical processing and as valuable byproducts such as cenospheres, magnetic ash, and secondary fuel carbon, and (2) an operational pilot plant for chemical ash processing with a capacity of 0.5 tpd that developed optimized processes for the production of: (a) REO concentrates, (b) critical minerals (Sc, Al), and (c) beneficiated ash as a valuable byproduct suitable for cement applications. In Phase I, the project team (with Equinox Chemicals in place of WWS) developed and demonstrated the feasibility of the physical and chemical separation processes, developed the design of a pilot plant, and began the development of a preliminary techno-economic model. In the baseline (initial) Phase II program, the project team developed and demonstrated the above pilot scale plant, producing salable REE concentrates, including Y and Sc (REYSc), plus commercially viable byproducts, using environmentally safe and high-yield physical and chemical enrichment processes. The team successfully demonstrated chemical pilot design, construction, shakedown, and operations of the plant. We produced the Phase II deliverable REYSc concentrate ((50 g of >60 wt.% purity REYSc salts on elemental basis), generated the feed for the Phase II follow-on program, identified processing challenges for future optimizations, and refined the techno-economic model. In the Phase II follow-on program, the project team: (1) developed and demonstrated processes to increase the REE amount by 3X (content basis) and convert the Phase II REE salt mixture to an oxide mixture, (2) produced/delivered >38 g of REO mixture with >85 wt.% purity (elemental basis); (3) developed processes to recover critical minerals scandium and aluminum from intermediate streams; (4) produced/delivered > 1 g of scandium salt mixture with >85 wt. % purity (elemental basis); (5) produced/delivered > 100 g of aluminum oxide type material with >70% wt. purity (elemental basis); and (6) updated the techno-economic model from the baseline Phase II program to assess CAPEX and OPEX of a commercial operation. This program has developed extensive databases on process chemistry, unit operations, plant engineering, and techno-economics that will enable further scale-up toward commercial plant design. Specific future developments will be focused on achieving dramatic savings in energy, reagent usage, and operating costs. The combined results will contribute significantly for maturing the technologies of REE recovery from coal byproducts and promote the establishment of domestic REE and CM supply chains.

01 COAL, LIGNITE, AND PEAT↗