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DOE OSTI2022

Dispatch Optimization, System Design and Cost Benefit Analysis of a Nuclear Reactor with Molten Salt Thermal Storage

Variable renewable energy availability has increased the volatility in energy prices in most markets. Nuclear power plants, with a large ratio of capital to variable costs, have historically operated as base load energy suppliers but the need for more flexible operation is increasing. We simulate the techno-economic performance of a 950 MWt nuclear power plant, based on the Westinghouse lead-cooled fast reactor, coupled with molten salt thermal storage as a method for flexible energy dispatch. We use the System Advisor Model to model the nuclear reactor thermal power input and power cycle operating modes. We combine this robust engineering model with a mixed-integer linear program model for optimized dispatch scheduling. We then simulate the coupled nuclear and thermal storage system under different market scenarios with varying price volatility. We find that the coupled plant outperforms the base plant under markets where energy price peaks fluctuate by a factor of two or more about the mean price. We show that a calculated power purchase agreement price for the plant improves by up to 10% when operating under California energy market conditions. Sensitivity analysis on the thermal storage cost shows that the optimal design remains unchanged even when doubling costs.

25 ENERGY STORAGE↗

DOE OSTI2024

Research Highlight - Dispatch Optimization, System Design and Cost Benefit Analysis of a Nuclear Reactor with Molten Salt Thermal Storage

We highlight our work from our previous publication titled "Dispatch Optimization, System Design, and Cost Benefit Analysis of a Nuclear Reactor with Molten Salt Thermal Storage" published in MDPI Energies 2022 (doi.org/10.3390/en15103599). Variable renewable energy availability has increased the volatility in energy prices in most markets. Nuclear power plants, with a large ratio of capital to variable costs, have historically operated as base load energy suppliers but the need for more flexible operation is increasing. We simulate the techno-economic performance of a 950 MWt nuclear power plant, based on the Westinghouse lead-cooled fast reactor, coupled with molten salt thermal storage as a method for flexible energy dispatch. We use the System Advisor Model to model the nuclear reactor thermal power input and power cycle operating modes. We combine this robust engineering model with a mixed-integer linear program model for optimized dispatch scheduling. We then simulate the coupled nuclear and thermal storage system under different market scenarios with varying price volatility. We find that the coupled plant outperforms the base plant under markets where energy price peaks fluctuate by a factor of two or more about the mean price. We show that a calculated power purchase agreement price for the plant improves by up to 10% when operating under California energy market conditions. Sensitivity analysis on the thermal storage cost shows that the optimal design remains unchanged even when doubling costs.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1984

A preliminary look at the effects of coupled lateral modes on aircraft handling qualities

Analytic and six-degree-of-freedom motion base simulator studies have been conducted to better understand how the coupled roll-spiral and coupled roll-aileron actuator modes affect aircraft handling qualities. The results reported herein are preliminary and are subject to change until other aircraft and several more data points can be examined. The results obtained thus far indicate that when the roll-spiral coupled mode is brought about by unusual values of an aircraft's stability and control derivatives, the lateral-directional handling qualities will invariably be degraded. However, when the roll spiral coupling is brought about by a roll-rate command/roll-attitude hold stability and control augmentation system (SCAS), the requirements for satisfactory handling qualities can be correlated to the natural frequency and the damping of the coupled mode. Satisfactory handling qualities were also achieved when the lateral SCAS brought about a coupling of the roll mode with the aileron actuator mode. In this case, the pilot ratings indicate that the handling qualities may be correlated to the natural frequency of the coupled roll-aileron mode.

Ruflin, S. J.↗

DOE OSTI2020

toughio v1.2.2

TOUGH is a widely used general purpose numerical simulator designed for fluid and heat flows of multiphase, multicomponent fluid mixtures in porous and fractured media, which has been applied to many real-world problems such as underground geological storage, geothermal reservoir engineering or nuclear waste disposal, to name a few. `toughio` is a lightweight, object-oriented and vectorized Python library that aims to provide user-friendly routines to facilitate pre- and post-processing of a TOUGH simulation. Although its primary target is the latest version TOUGH3, `toughio` can also be used to read/write TOUGH2 input/output files. Currently, to the best of our knowledge, only PyTOUGH offers an exhaustive number of features to carry out a complete TOUGH simulation using a scripting language. `toughio` and PyTOUGH share the same objectives, yet with different approaches and philosophies. On the one hand, a PyTOUGH mesh is represented as a MULGRAPH geometry where elements can be unstructured horizontally but only layered vertically. It also checks that the model parameters are valid to ensure that a TOUGH simulation runs smoothly. On the other hand, although it provides basic meshing features, `toughio` mostly relies on common third-party softwares (e.g. Abaqus, FLAC3D, Gmsh, LaGriT) to generate the mesh by importing and converting it to a TOUGH mesh, which also conveniently facilitates the coupling of TOUGH with any other simulator that also supports the same mesh formats. Besides, `toughio` is designed to be just a TOUGH input and output file reader/writer. It assumes that the user knows what he is doing and does not verify the validity of the model parameters (`toughio` does verify the functional arguments).

Luu, Keurfon↗

DOE OSTI2022

Resolution requirements for energy conservation in kinetic plasma simulations

The kinetic codes used to model the coupled dynamics of electromagnetic fields and charged particle transport have requirements for spatial, temporal, and charge resolution. These requirements may vary by the solution technique and scope of the problem. In this report, we investigate the resolution limits in the energy-conserving implicit particle-in-cell code CHICAGO. This report has the narrow aim of determining the maximum acceptable grid spacing for the dense plasmas generated in models of z-pinch target gases and power-flow electrode plasmas. In the 2D sample problem, the plasma drifts without external forces with velocity of 10 cm/µs. Simulations are scaled by plasma density to maintain uniform strides across the plasma and from the plasma to the boundaries. Additionally, the cloud-in-cell technique is used with 400 particles per cell and Δ t = 0.85× the Courant limit. For the linear cloud distribution, the criterion for conserving energy is Δ E/E tot < 0.01 for 50,000 time steps. The grid resolution is determined to crudely be Δx ≲ 3 l s , where l s is the electron collisionless skin depth. For the second-order cloud distribution the criterion is Δ E/E tot < 0.005 yielding Δx ≤ 15 l s . These scalings are functions of the chosen v d , Δ t , particles-per-cell, and number of steps.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1999

Inlet-Compressor Analysis Performed Using Coupled Computational Fluid Dynamics Codes

A thorough understanding of dynamic interactions between inlets and compressors is extremely important to the design and development of propulsion control systems, particularly for supersonic aircraft such as the High-Speed Civil Transport (HSCT). Computational fluid dynamics (CFD) codes are routinely used to analyze individual propulsion components. By coupling the appropriate CFD component codes, it is possible to investigate inlet-compressor interactions. The objectives of this work were to gain a better understanding of inlet-compressor interaction physics, formulate a more realistic compressor-face boundary condition for time-accurate CFD simulations of inlets, and to take a first step toward the CFD simulation of an entire engine by coupling multidimensional component codes. This work was conducted at the NASA Lewis Research Center by a team of civil servants and support service contractors as part of the High Performance Computing and Communications Program (HPCCP).

Cole, Gary L.↗

DOE OSTI2023

On the effects of quadrupolar relaxation in Earth’s field NMR spectra

There is growing interest in using low-field magnetic resonance experiments for routine chemical characterization. Earth’s field NMR is one such technique that can garner structural information and enable sample differentiation with low cost and highly portable designs. The resulting NMR spectra are primarily influenced by $J$-couplings, resulting in so-called $J$-coupled spectra (JCS). Many small molecules include atoms with NMR-active nuclei that are quadrupolar either at natural abundance or are often isotopically enriched (e.g., 2 H, 6 Li, 11 B, 14 N, 17 O, etc.) where the effects of quadrupolar J-couplings and relaxation on JCS of strongly- and weakly-coupled spin systems have not been explored to date. Herein, using a set of seven fluoropyridine samples with unique substitution and $J$-couplings, we demonstrate that the 14 N relaxation rates can induce drastic line-broadening in the JCS. This includes a previously unexplored unique line broadening mechanism enabled by strongly coupled spins at low-field. In conclusion, numerical simulations are used to model and refine the magnitudes and signs of $J$-couplings, as well as indirectly determine the 14 N relaxation rates in a single 1D experiment that has a higher fidelity than observed in high-field NMR experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1989

Application of numerical optimization techniques to control system design for nonlinear dynamic models of aircraft

Control system design for general nonlinear flight dynamic models is considered through numerical simulation. The design is accomplished through a numerical optimizer coupled with analysis of flight dynamic equations. The general flight dynamic equations are numerically integrated and dynamic characteristics are then identified from the dynamic response. The design variables are determined iteratively by the optimizer to optimize a prescribed objective function which is related to desired dynamic characteristics. Generality of the method allows nonlinear effects to aerodynamics and dynamic coupling to be considered in the design process. To demonstrate the method, nonlinear simulation models for an F-5A and an F-16 configurations are used to design dampers to satisfy specifications on flying qualities and control systems to prevent departure. The results indicate that the present method is simple in formulation and effective in satisfying the design objectives.

Lan, C. Edward↗

DOE OSTI2022

Modeling of a Generic Pebble Bed High-temperature Gas-cooled Reactor (PB-HTGR) with SAM

This report presents the modeling of the core of a generic pebble-bed reactor (PBR) at the system level using the System Analysis Module (SAM) code. This work is an extension of a previous work by the authors (Ooi et al. (2021)) that used the so-called 2-D ring model approach to model the PBMR-400. With the new approach, the pebble bed of the reactor is modeled with multiple PBCoreChannel components with spherical heat structures which allows the code to calculate thermal fluid parameters with built-in closure relations. The new core-channel approach is an improvement to the 2-D ring model approach as it does not introduce geometric distortions to the model and thus reduces the uncertainties of the predictions. In addition to thermal fluid simulations, point kinetics (PKE) are included to the model. Simulations are performed under a steady-state normal operation condition and a load-following transient scenario. This particular transient scenario is chosen as it tests both the thermal fluid and neutronics aspects of the model. The predicted results from both the steady-state and transient scenarios are compared with the results by Stew- art et al. (2021) who performed similar simulations with a Griffin-Pronghorn coupled tool. Despite the differences between the codes, with SAM being a system-analysis code and Pronghorn being a porous-medium code, both sets of results compare favorably. The over- all profiles and trends of the predicted temperatures and reactivities from the SAM and Griffin/Pronghorn simulations are similar, with some differences in their predicted values. The first part of the report covers the significance of a relatively fast-running approach that is capable of modeling the pebble bed reactor at the system-level while simultaneously capturing the radial thermal behavior of the core. Then, the modeling approach used in this work is discussed in details. Lastly, the results and comparisons with the Griffin/Pronghorn simulation are presented.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1991

Composite load spectra for select space propulsion structural components

The objective of this program is to develop generic load models with multiple levels of progressive sophistication to simulate the composite load spectra that are induced in space propulsion system components, representative of Space Shuttle Main Engines (SSME), such as transfer ducts, turbine blades, and liquid oxygen (LOX) posts and system ducting. These models will be developed using two independent approaches. The first approach consists of using state-of-the-art probabilistic methods to describe the individual loading conditions and combinations of these loading conditions to synthesize the composite load spectra simulation. The methodology required to combine the various individual load simulation models (hot-gas dynamic, vibrations, instantaneous position, centrifugal field, etc.) into composite load spectra simulation models will be developed under this program. A computer code incorporating the various individual and composite load spectra models will be developed to construct the specific load model desired. The second approach, which is covered under the options portion of the contract, will consist of developing coupled models for composite load spectra simulation which combine the (deterministic) models for composite load dynamic, acoustic, high-pressure and high rotational speed, etc., load simulation using statistically varying coefficients. These coefficients will then be determined using advanced probabilistic simulation methods with and without strategically selected experimental data. This report covers the efforts of the third year of the contract. The overall program status is that the turbine blade loads have been completed and implemented. The transfer duct loads are defined and are being implemented. The thermal loads for all components are defined and coding is being developed. A dynamic pressure load model is under development. The parallel work on the probabilistic methodology is essentially completed. The overall effort is being integrated in an expert system code specifically developed for this project.

Newell, J. F.↗

DOE OSTI2022

Strong Coulomb coupling influences ion and neutral temperatures in atmospheric pressure plasmas

Molecular dynamics simulations are used to model ion and neutral temperature evolution in partially-ionized atmospheric pressure plasma at different ionization fractions. Results show that ion–ion interactions are strongly coupled at ionization fractions as low as 10 –5 and that the temperature evolution is influenced by effects associated with the strong coupling. Specifically, disorder-induced heating is found to rapidly heat ions on a timescale of the ion plasma period (~10 s ps) after an ionization pulse. This is followed by the collisional relaxation of ions and neutrals, which cools ions and heats neutrals on a longer (~ns) timescale. Slight heating then occurs over a much longer (~100 s ns) timescale due to ion-neutral three-body recombination. An analytic model of the temperature evolution is developed that agrees with the simulation results. Finally, a conclusion is that strong coupling effects are important in atmospheric pressure plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2001

Mesoscale Convective Systems in SCSMEX: Simulated by a Regional Climate Model and a Cloud Resolving Model

A Regional Land-Atmosphere Climate Simulation (RELACS) System is being developed and implemented at NASA Goddard Space Flight Center. One of the major goals of RELACS is to use a regional scale model with improved physical processes, in particular land-related processes, to understand the role of the land surface and its interaction with convection and radiation as well as the water and energy cycles in Indo-China/South China Sea (SCS)/China, North America and South America. The Penn State/NCAR MM5 atmospheric modeling system, a state of the art atmospheric numerical model designed to simulate regional weather and climate, has been successfully coupled to the Goddard Parameterization for Land-Atmosphere-Cloud Exchange (PLACE) land surface model, PLACE allows for the effect A vegetation, and thus important physical processes such as evapotranspiration and interception are included. The PLACE model incorporates vegetation type and has been shown in international comparisons to accurately predict evapotranspiration and runoff over a wide variety of land surfaces. The coupling of MM5 and PLACE creates a numerical modeling system with the potential to more realistically simulate the atmosphere and land surface processes including land-sea interaction, regional circulations such as monsoons, and flash flood events. RELACS has been used to simulate the onset of the South China Sea Monsoon in 1986, 1991 and 1998. Sensitivity tests on various land surface models, cumulus parameterization schemes (CPSs), sea surface temperature (SST) variations and midlatitude influences have been performed. These tests have indicated that the land surface model has a major impact on the circulation over the South China Sea. CPSs can effect the precipitation pattern while SST variation can effect the precipitation amounts over both land and ocean. RELACS has also been used to understand the soil-precipitation interaction and feedback associated with a flood event that occurred in and around China's Yantz River during 1998. The exact location (region) of the flooding can be effected by the soil-rainfall feedback. Also, the Goddard Cumulus Ensemble (GCE) model which allows for realistic moist processes as well as explicit interactions between cloud and radiation, and cloud and surface processes will be used to simulate convective systems associated with the onset of the South China Sea Monsoon in 1998. The GCE model also includes the same PLACE and radiation scheme used in the RELACS. A detailed comparison between the results from the GCE model and RELACS will be performed.

Tao, W.-K.↗

NASA NTRS2002

Mesoscale Convective Systems in SCSMEX: Simulated by a Regional Climate Model and a Cloud Resolving Model

A Regional Land-Atmosphere Climate Simulation (RELACS) System is being developed and implemented at NASA Goddard Space Flight Center. One of the major goals of RELACS is to use a regional scale model with improved physical processes, in particular land-related processes, to understand the role of the land surface and its interaction with convection and radiation as well as the water and energy cycles in Indo-China/ South China Sea (SCS)/China, N. America and S. America. The Penn State/NCAR MM5 atmospheric modeling system, a state of the art atmospheric numerical model designed to simulate regional weather and climate, has been successfully coupled to the Goddard Parameterization for Land-Atmosphere-C loud Exchange (PLACE) land surface model. PLACE allows for the effects of vegetation, and thus important physical processes such as evapotranspiration and interception are included. The PLACE model incorporates vegetation type and has been shown in international comparisons to accurately predict evapotranspiration and runoff over a wide variety of land surfaces. The coupling of MM5 and PLACE creates a numerical modeling system with the potential to more realistically simulate the atmosphere and land surface processes including land-sea interaction, regional circulations such as monsoons, and flash flood events. RELACS has been used to simulate the onset of the South China Sea Monsoon in 1986, 1997 and 1998. Sensitivity tests on various land surface models, cumulus parameterization schemes (CPSs), sea surface temperature (SST) variations and midlatitude influences have been performed. These tests have indicated that the land surface model has a major impact on the circulation over the S. China Sea. CPSs can effect the precipitation pattern while SST variation can effect the precipitation amounts over both land and ocean. RELACS has also been used to understand the soil-precipitation interaction and feedback associated with a flood event that occurred in and around China's Yantz River during 1998. The exact location (region) of the flooding can be effected by the soil-rainfall feedback. Also, the Goddard Cumulus Ensemble (GCE) model which allows for realistic moist processes as well as explicit interactions between cloud and radiation, and cloud and surface processes will be used to simulate convective systems associated with the onset of the South China Sea Monsoon in 1998. The GCE model also includes the same PLACE and radiation scheme used in the RELACS. A detailed comparison between the results from the GCE model and RELACS will be performed.

Tao, W.-K.↗

DOE OSTI2021

Generalizable coordination of large multiscale workflows: challenges and learnings at scale

The advancement of machine learning techniques and the heterogeneous architectures of most current supercomputers are propelling the demand for large multiscale simulations that can automatically and autonomously couple diverse components and map them to relevant resources to solve complex problems at multiple scales. Nevertheless, despite the recent progress in workflow technologies, current capabilities are limited to coupling two scales. In the first-ever demonstration of using three scales of resolution, we present a scalable and generalizable framework that couples pairs of models using machine learning and in situ feedback. We expand upon the massively parallel Multiscale Machine-Learned Modeling Infrastructure (MuMMI), a recent, award-winning workflow, and generalize the framework beyond its original design. We discuss the challenges and learnings in executing a massive multiscale simulation campaign that utilized over 600,000 node hours on Summit and achieved more than 98% GPU occupancy for more than 83% of the time. We present innovations to enable several orders of magnitude scaling, including simultaneously coordinating 24,000 jobs, and managing several TBs of new data per day and over a billion files in total. Finally, we describe the generalizability of our framework and, with an upcoming open-source release, discuss how the presented framework may be used for new applications.

Bhatia, Harsh↗

DOE OSTI2021

Second-harmonic generation in nonlinear plasmonic lattices enhanced by quantum emitter gain medium

In this work, we report on a theoretical study of second-harmonic generation (SHG) in plasmonic nanostructures interacting with two-level quantum emitters (QEs) under incoherent energy pump. We generalize the driven-dissipative Tavis–Cummings model by introducing the anharmonic surface plasmon-polariton (SPP) mode coupled to QEs and examine physical properties of corresponding SPP-QE polariton states. Our calculations of the SHG efficiency for strong QE-SPP coupling demonstrate orders of magnitude enhancement facilitated by the polariton gain. We further discuss time-domain numerical simulations of SHG in a square lattice comprising Ag nanopillars coupled to QEs utilizing a fully vectorial nonperturbative nonlinear hydrodynamic model for conduction electrons coupled to Maxwell–Bloch equations for QEs. The simulations support the idea of gain enhanced SHG and show orders of magnitude increase in the SHG efficiency as the QEs are tuned in resonance with the lattice plasmon mode and brought above the population inversion threshold by incoherent pumping. By varying pump frequency and tuning QEs to a localized plasmon mode, we demonstrate further enhancement of the SHG efficiency facilitated by strong local electric fields. The incident light polarization dependence of the SHG is examined and related to the symmetries of participating plasmon modes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1994

Dynamics of three-dimensional plasma clouds with coupling to the background ionosphere

A three-dimensional, time-dependent model with a two-grid system was developed to study the expansion of a plasma cloud in the F region and topside ionosphere. The model maintains an adequate resolution for the released cloud motion and its interaction with the immediate environment, and it includes the effect due to the coupling with the distant part of the ionosphere (i.e., E region). Simulations were performed using realistic background ionospheric density profiles in both the E and F regions. The results show that the cloud coupling to the underlying E region affects the perpendicular cloud motion the most. The distant coupling acts to reduce the perturbation potential and perpendicular velocity and delays or eliminates the striations. These simulation results are consistent with simple analytical approximations. The simulation results also show that the distant coupling has a very small effect on 'localized' phenomena, such as the cloud expansion along the B RIGHT ARROW field and the electrostatic snowplow. The cloud-induced electric potential is attenuated in the lower E region. The electrons flow along the B RIGHT ARROW field, carrying the current to the E region and back to the cloud. The current closure is demonstrated in three dimensions for the first time for such a problem. The perpendicular current flowing through the plasma cloud is closed by the field-aligned electron current and the background perpendicular (mainly Pedersen) current in both the E and F regions. The 'image cloud' formation in t he E region is also clearly demonstrated. The variation of the density change in the 'image cloud' along the B RIGHT ARROW field and the features of the image cloud are shown.

Ma, T.-Z.↗

DOE OSTI2025

Estimating an airborne dipole source using 3-D wavefield simulations and seismic receivers on the ground

Acoustic signals can couple to the ground, providing an opportunity to use seismic stations to investigate airborne sources. The study of Bishop et al. used wavefield simulations in a fluid-solid medium to quantify the role of topography on the seismic (ground) recordings of a monopole source in the air. We build upon this study by linking wavefield forward modelling with the source estimation code MTUQ, which can accommodate point forces or moment tensors in a solid medium, as well as sources in the air (or water) if they are enabled by the forward-modelling solver. We perform a series of synthetic numerical experiments to demonstrate that a dipole airborne source can be estimated using ground-based receivers, even within the presence of realistic topography. We investigate the influence of receiver coverage, topography, and assumed source location on the estimated results. The established capabilities raise the prospects for future efforts to estimate dipole sources in 3-D models that include heterogeneity in the air and the earth in addition to topography.

58 GEOSCIENCES↗

NASA NTRS1993

A high fidelity video delivery system for real-time flight simulation research

The Flight Systems and Simulation Research Laboratory (Simlab) at the NASA Ames Research Center, utilizes an extensive network of video image generation, delivery, processing, and display systems coupled with a large amplitude Vertical Motion Simulator (VMS) to provide a high fidelity visual environment for flight simulation research. This paper will explore the capabilities of the current Simlab video distribution system architecture with a view toward technical solutions implemented to resolve a variety of video interface, switching, and distribution issues common to many simulation facilities. Technical discussions include a modular approach to a video switching and distribution system capable of supporting both coax and fiber optic video signal transmission, video scan conversion and processing techniques for lab observation and recording, adaptation of image generation and display system video interfaces to industry standards, an all raster solution for 'glass cockpit' configurations encompassing Head up, Head-down, and Out-the-Window display systems.

Wilkins, Daniel A.↗