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DOE OSTI2014

Systems Engineering of Chemical Hydrogen Storage, Pressure Vessel and Balance of Plant for Onboard Hydrogen Storage

This is the annual report for the Hydrogen Storage Engineering Center of Excellence project as required by DOE EERE's Fuel Cell Technologies Office. We have been provided with a specific format. It describes the work that was done with cryo-sorbent based and chemical-based hydrogen storage materials. Balance of plant components were developed, proof-of-concept testing performed, system costs estimated, and transient models validated as part of this work.

balance of plant↗

DOE OSTI2017

Delineating Facies Spatial Distribution by Integrating Ensemble Data Assimilation and Indicator Geostatistics with Level Set Transformation.

A new approach is developed to delineate the spatial distribution of discrete facies (geological units that have unique distributions of hydraulic, physical, and/or chemical properties) conditioned not only on direct data (measurements directly related to facies properties, e.g., grain size distribution obtained from borehole samples) but also on indirect data (observations indirectly related to facies distribution, e.g., hydraulic head and tracer concentration). Our method integrates for the first time ensemble data assimilation with traditional transition probability-based geostatistics. The concept of level set is introduced to build shape parameterization that allows transformation between discrete facies indicators and continuous random variables. The spatial structure of different facies is simulated by indicator models using conditioning points selected adaptively during the iterative process of data assimilation. To evaluate the new method, a two-dimensional semi-synthetic example is designed to estimate the spatial distribution and permeability of two distinct facies from transient head data induced by pumping tests. The example demonstrates that our new method adequately captures the spatial pattern of facies distribution by imposing spatial continuity through conditioning points. The new method also reproduces the overall response in hydraulic head field with better accuracy compared to data assimilation with no constraints on spatial continuity on facies.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Electrochemical Ammonia Compression

An electrochemical (EC) compressor is a solid-state compression device. For decades, researchers have been studying EC compressors for applications for a variety of energy systems. As the world transitions away from fossil fuel energy sources, EC compression emerges as a promising technique for energy storage, specifically energy stored in the form of pressurized ammonia. Ammonia is also a commonly used refrigerant. The present studies examine the viability of EC compression for ammonia storage and refrigeration. EC ammonia compression increases the concentration of an ammonia-hydrogen mixture via the input of electrical energy and a series of chemical reactions. A polymer electrolyte membrane separates the low-concentration side from the high-concentration side of the device. On the low-pressure (anode) side hydrogen atoms oxidize and react with ammonia molecules, forming positively charge ammonium ions. The ions traverse the membrane electrolytically. The ammonium ions are reduced and revert back to hydrogen and ammonia upon reaching the high-pressure (cathode). An external circuit provides the current needed to sustain the reactions. In this project, we studied the performance of the ammonia EC compressor under a variety of different conditions. We replicated preliminary data and using a small cell with 5 cm2 of active area. We demonstrated the operation of larger cells with 100 cm2 of active area. Further, we used a commercially available hydrogen EC compressor stack to analyze the scaled-up compressor performance. While previous experiments examined only the transient EC compressor performance, we developed test facilities that allowed the compressor to reach steady state. We analyzed the effects of pressure and current on the EC compressor performance. We measured the flow rates of gas leaving the compressors and analyzed the composition using gas chromatography. We tested methods of separating ammonia from the effluent vapor, which contained hydrogen and water vapor. We found that back diffusion adversely affected the performance, especially when we maintained high pressure lifts.

25 ENERGY STORAGE↗

DOE OSTI2024

Equivalence Ratio Scans in a Rotating Detonation Engine

Published data for run times exceeding a few seconds in rotating detonation engines (RDEs) is rare, but long duration tests are necessary to understand both transient and persistent phenomena in RDE operation. Previous work has noted different detonation wave modes at different equivalence ratios. In the current study, multiple long-duration runs with constant air flow rate and variable equivalence ratio are conducted in a hydrogen-fueled, water-cooled RDE. Analysis of the capillary tube averaged pressure (CTAP) data reveals a strong correlation with equivalence ratio as well as a small time dependency due to transient thermal processes. Ion probe measurements are used to analyze detonation wave frequencies and modes, both of which are strongly dependent on the equivalence ratio. Mode transitions are observed to occur consistently as the equivalence ratio is traversed between 0.55 and 0.60. These transitions are also found to be a function of the direction of changing equivalence ratio (ascending or descending) and time.

Boyette, Wesley R.↗

DOE OSTI2024

Equivalence Ratio Scans in a Rotating Detonation Engine

Boyette, Wesley R.↗

DOE OSTI2016

Finite Volume Method Based Neutronic Solvers for Steady and Transient Analysis of Molten Salt Reactors

In recent years, the coupled neutronics and thermal hydraulics analysis becomes more and more important, because it helps to identify the most relevant safety issues without conservative assumptions. In addition, such coupled simulations are essential for the generation IV advanced nuclear power systems such as molten salt reactor (MSR), because the presence of strong coupling between different phenomena, like the transport of delayed neutron precursors by the fluid flow?. Due to the different discretization methods used in reactor physics analysis and thermal-hydraulics analysis, it is hard to couple different kinds of codes. This work presents an attempt to solve the multigroup neutron diffusion equation with the finite volume method which is quite widely used for the numerical simulation of a variety of applications involving fluid flow and heat and mass transfer. The unstructured finite volume method (FVM) based on open source C++ library OpenFOAM was chosen as the development platform?. The objective of this paper is to concisely present the main features of the developed codes in terms of the theoretical background and numerical approach and as can be seen in the following sections, the calculation results obtained by the NDSFoam which solves the steady-state neutron diffusion equation and NDTFoam which solves the transient-state neutron diffusion equation are discussed and compared to the benchmark problems. In this paper, two new neutronic solvers using finite volume method have been developed to perform the neutron physics analysis. The solvers are based on OpenFOAM, and have been tested with several steady state and transient-state benchmark problems. By verifications of the codes, it is proved that the development of NDSFoam and NDTFoam are correct. In our future work, both of these two solvers will be coupled with the precompiled CFD solvers in OpenFOAM to analyze the molten salt fast reactors. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2016

Verification of the Time-dependent Transport Code TDKENO with the Monte Carlo Code KENO-VI

In this paper we focus on the computer code TDKENO that employs a hybrid methodology for solving the time dependent, three-dimensional Boltzmann transport equation. Originally, TDKENO used the Monte Carlo Transport code KENO V.a from SCALE to calculate flux shapes and fixed sources. KENO V.a is quick to compute these quantities but is limited to simple geometries. For this work TDKENO has been modified to support the Monte Carlo Transport code KENO-VI in addition to KENO V.a. KENO-VI allows generalized geometry input not possible in KENO V.a inputs. In order to verify the changes we ran TDKENO using KENO V.a and KENO-VI inputs then compared the results. Three different inputs were analyzed, the 16a1 benchmark,a simple TREAT model, and a transient model (2855) from the M8 calibration tests performed at INL.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2021

Hardware Demonstration of Weak Grid Oscillations in Grid-Following Converters

The increasing penetration of inverter-based resources (IBRs) introduces some unexpected dynamic issues, including low-frequency oscillations. In this paper, a laboratory-scale grid-following voltage-source converter (VSC) system is implemented to demonstrate weak grid oscillations. Grid-following control is applied in VSC to provide active power, reactive power or ac voltage control. The test bed is also replicated in electromagnetic transient (EMT) simulation environment (MAT-LAB/SimPowerSystems) for benchmark purpose. Case studies are carried out to demonstrate low-frequency oscillations under real power/ac voltage or real power/reactive power control. The excellent agreement between the simulation and experimental results ensures that the two test beds are exchangeable and can be used for testing oscillation mitigation strategies in future research.

Bao, Li↗

DOE OSTI2016

Characterization of the Pulsed Radiation Environment in FREC-II at the ACRR

Ongoing tests at the Annular Core Research Reactor (ACRR) at Sandia National Laboratories aim to measure temperature and strain in materials exposed to a transient neutron-photon environment. Radiation transport and finite element analysis codes are used to predict the thermal-structural response of test articles exposed in the reactor. Strain and temperature sensors fielded on test articles provide validation data for finite element models, while active and passive radiation dosimetry provides data for MCNP models. The ACRR is able to provide pulse energies of 40 - 300 MJ per pulse with pulse times of 7 - 100 milliseconds. The pulse power is higher than many of the other research reactors due to its unique high heat capacity UO{sub 2}-BeO fuel in the central reactor. Additionally, the Fuel Ringed External Cavity (FREC-II) contains U-ZrH fuel. Future tests at the ACRR plan to field test assemblies in the Fuel Ringed External Cavity (FREC-II) and expose the test articles to the transient anisotropic radiation field experienced in the cavity. The FREC-II is coupled with the ACRR core and is used to test larger specimens, and the radiation environment can be shaped/modified to the needs of the experiment. The FREC-II was designed to provide an irradiation cavity with a strong flux gradient favoring the central cavity side. Neutron fluence also varies by height in the cavity, with a peak level slightly below the fuel rod vertical centerline. Tests were conducted in 2014 to measure the thermal-structural response of test articles exposed in the central cavity. Those tests in the central cavity fielded Nickel activation foils to record the neutron fluence at various locations around the test assembly. Foil data was later used to highlight uncertainties between thermo-structural response models and the measured temperature and strain. Studies performed in 2015 exposed large arrays of activation foils and thermo-luminescent dosimeters (TLD) in the FREC-II cavity in order to map out the neutron and photon spectrum at many locations. This type of passive measurement was shown to be too simple for performing thermo-structural simulations of a test article in response to multiple pulsed-reactor exposures. The Depleted Uranium Strain and Temperature - Enhanced Response (DUSTER-II) experiments will expose test assemblies to reactor pulses in the FREC-II cavity. To prepare for these experiments, the MCNP model will be compared with June 2016 experimental results from the pulses with the FREC-II coupled with the ACRR. These comparisons will provide an accurate model to be implemented in further studies. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2025

PARET/ANL (V.7.7) Verification and Validation Report

This report documents the software testing which has been performed for the PARET/ANL version 7.7 software. The software testing is based on code capabilities identified by research reactor analysts as frequently used in their safety analyses. The verification and validation procedures have been performed and documented to address the steady-state capabilities of the software, as described in Chapter 2, and the transient capabilities, as described in Chapter 3. Testing based on the comparison between PARET/ANL calculations and analytical solutions, hand calculations, or other code calculations of the test cases confirms that all the identified capabilities of the software were implemented correctly. In addition, results from code comparisons against SPERT-I and SPERT-IV experiments for various flow rates are reported for the peak power, energy release and cladding surface temperature. The comparisons showed overall good agreement for the peak power and conservative predictions of the cladding surface temperature

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

PARET/ANL v7.7 Verification and Validation Report

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Deep Learning-Based Dynamic Modeling of Three-Phase Voltage Source Inverters

Inverter-based resource (IBR) models are necessary to analyze modern power system stability and create effective control strategies. Modeling IBRs in converter-rich power systems is crucial, yet challenging due to the lack of commercial information on converter topologies and control parameters. This paper proposes novel convolutional neural network (CNN)–based data-driven techniques for modeling IBRs, addressing adaptability and proprietary concerns without requiring internal system physics knowledge. The proposed method is tested using real grid-tied commercial IBR transient data and demonstrates effectiveness and accuracy. Furthermore, the developed modeling approach is integrated and implemented in the open-source power distribution simulation and analysis tool, GridLAB-D, to illustrate the potentiality of dynamic analysis of large-scale power systems with high IBRs.

deep learning, artificial intelligence↗

DOE OSTI2016

Experimental validation on the operational and cooling performance of the passive safety system with Atlas

After the Fukushima accident, passive safety systems are considered as the most promising alternatives to reinforce the safety and reliability of an ultimate heat removal system without any operator actions. In Korea, a passive auxiliary feedwater system (PAFS) was developed and adopted to a GEN-III+ nuclear power plant, APR+ to completely replace the conventional auxiliary feedwater system. The integral effect tests were performed to validate the cooling and operational performance of PAFS, coupled with the reactor coolant systems using the ATLAS facility. The representative design basis accidents (DBAs) such as a feedwater line break, a steam line break, and a steam generator tube rupture transients were experimentally simulated in this study. In addition, an integral effect test was performed for simulating a station blackout transient as a limiting beyond DBA. From the integral effect test results, it could be concluded that the APR+ has the capability of coping with the hypothetical DBA and bDBA by adopting PAFS and proper set-points of its operation. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2021

Multichannel deconvolution of vibrational signals: A state-space inverse filtering approach

Deconvolution of noisy measurements, especially when they are multichannel, has always been a challenging problem. The processing techniques developed range from simple Fourier methods to more sophisticated model-based parametric methodologies based on the underlying acoustics of the problem at hand. Methods relying on multichannel mean-squared error processors (Wiener filters) have evolved over long periods from the seminal efforts in seismic processing. However, when more is known about the acoustics, then model-based state-space techniques incorporating the underlying process physics can improve the processing significantly. The problems of interest are the vibrational response of tightly coupled acoustic test objects excited by an out-of-the-ordinary transient, potentially impairing their operational performance. Further, employing a multiple input/multiple output structural model of the test objects under investigation enables the development of an inverse filter by applying subspace identification techniques during initial calibration measurements. Feasibility applications based on a mass transport experiment and test object calibration test demonstrate the ability of the processor to extract the excitations successfully.

42 ENGINEERING↗

DOE OSTI2021

Transient absorption spectroscopy to explore cellular pathways to photobiomodulation

Photobiomodulation (PBM) describes the use of low irradiance light in the red to near-infrared wavelength range to stimulate biological effects in tissue, and many biological and spectroscopic techniques are used to study PBM. However, these techniques focus on the products or downstream effects rather than the electronic transitions that initiate the PBM processes. This study presents a novel approach to studying low irradiance light exposures on individual proteins and/or protein complexes by combining a continuous wave (CW) laser diode with femtosecond transient absorption spectroscopy (TAS), coined here as CW-TAS, and tests the system on reduced cytochrome c (Cyt c) for proof of principle. TAS was conducted using a 532-nm excitation pump beam and a 350-600 nm supercontinuum probe. In this work, CW laser diodes with wavelengths of 450 nm, 635 nm, and 808 nm were interchangeably fiber coupled into the HELIOS Fire. Samples of Cyt c were tested by TAS using a pump power of 15 µW, both with and without CW exposure. CW exposures were carried out with irradiances of 1.60 and 3.20 mW/cm 2 , except for 808 nm, which was only tested at 1.60 mW/cm 2 . Both kinetic and global analyses were performed on the TAS data and the time constants for sets with and without CW exposures were compared. The TAS data for Cyt c with the full dosage of CW exposures did not alter the TAS data distinguishably from the control data. No new electronic transient signals were observed beyond the background when testing Cyt c with the CW exposures. Kinetic analysis confirmed that existing transients did not deviate beyond uncertainty. Global time constants for Cyt c were calculated to be 0.25 ± 0.03 ps and 5.1 ± 0.3 ps for the control study, and the time constants for the CW exposed Cyt c were not significantly different. This study concludes that CW irradiation, at doses delivered, does not alter the transient absorption data of Cyt c. The CW-TAS method provides a new tool for studying PBM effects in other proteins and protein complexes, such as Complex IV, in future studies.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Interpreting strain tensor data to characterize and monitor reservoirs for CO2 storage and other applications

Recent advances in instrumentation have made it feasible to measure the transient strain tensor caused by small changes in fluid volume or pressure in the subsurface and this has opened the door to new opportunities for characterization and monitoring. We have deployed strainmeters and then conducted injection well tests in an underlying reservoir at 530m depth. The resulting data indicated that the horizontal strain at shallow strainmeters (30 to 40m depth) was tensile and the vertical strain was compressive. The radial strain was less than the horizontal strain, and the strain rates decreased from 100 nanostrain/day to roughly 10 n/d over a few days. The signal at two strainmeters at shallow depth were consistent, although the magnitude of the horizontal strains were different reflecting the different radial directions from the well. The signal at a deep strainmeter deployed at reservoir depth was much different, with tensile vertical strains and compressive horizontal strains. These data can be interpreted by inverting poroelastic forward models developed using numerical and analytical methods. The average horizontal strain in the caprock resembles the transient pressure in the underlying reservoir and classic type-curve methods from transient well testing can be used for preliminary interpretations of strain data. We have developed closed-form analytical solutions to a pressurized poroelastic inclusion and inhomogeneity in a half-space. This model is fast and can be inverted to estimate reservoir stiffness and geometry. Numerical models developed using finite element methods allow more details of the subsurface to be included in the inversion, but they require much longer run times and this makes inversion cumbersome using standard methods. We have developed an inversion approach that uses a proxy model created using machine learning to do most of the forward calculations. The proxy model is periodically updated and refined using the finite element model to ensure accuracy. This approach significantly reduces the computational requirements and makes it feasible to use Bayesian inversion with large numerical models. We have shown that the strain tensor in the caprock is sensitive to pressure in the reservoir, boundaries in the reservoir, and pressure in the caprock caused by leaks. These results indicate that coupling strain tensor data with inversion has the potential to help evaluate reservoirs during initial characterization, and to monitor them during the CO2 injection and storage process.

Murdoch, Larry↗

DOE OSTI2019

Molten salt to supercritical CO2 diffusion-bonded heat exchanger testing to support component certification for advanced nuclear power systems

Commercial utilization of the diffusion-bonded heat exchanger (DBHE) for high-temperature applications has prompted an ASME Boiler and Pressure Vessel Code Case development effort to employ these components in Section III (nuclear plant) applications. As part of this effort, a series of DBHE have been fabricated. These heat exchangers will be among the first printed-circuit geometries to be tested for functionality in a molten salt environment. These 15-25kW test specimens will be evaluated under steady-state conditions to compare pressure drop and terminal temperatures measurements with those predicted by existing flow and heat transfer correlations. The test units will then be subjected to thermal transients similar to those expected in Generation IV reactor systems by varying the hot and cold fluid mass flow rates and by changing inlet temperatures. Data collected from these tests will narrow the technical gaps related to two-fluid PCHE and identify special design requirements of compact heat exchangers containing primary reactor coolant. Descriptions of one of two test units and the testing plan are discussed here.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2019

Adaptive relay autotuning under static and non-static disturbances with application to friction stir welding

When a traditional relay feedback test is biased, asymmetry is induced, erroneous system identification occurs, and the test may stop oscillating. Adaptive methods which restore symmetry to the relay test are developed, and additional methods are presented to detect and recover from a non-oscillation condition. This is demonstrated both in simulation and in a process with significant transients and disturbances - friction stir welding (FSW). In testing, it is shown that the adaptive method is able to restore symmetry even in the presence of severe and changing disturbances, including after the weld plunge where temperature gradients change rapidly. Finally, these improvements enable system identification of systems such as FSW in a more robust and accurate manner.

42 ENGINEERING↗