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DOE OSTI2015

Scalable Heuristics for Planning, Placement and Sizing of Flexible AC Transmission System Devices

Aiming to relieve transmission grid congestion and improve or extend feasibility domain of the operations, we build optimization heuristics, generalizing standard AC Optimal Power Flow (OPF), for placement and sizing of Flexible Alternating Current Transmission System (FACTS) devices of the Series Compensation (SC) and Static VAR Compensation (SVC) type. One use of these devices is in resolving the case when the AC OPF solution does not exist because of congestion. Another application is developing a long-term investment strategy for placement and sizing of the SC and SVC devices to reduce operational cost and improve power system operation. SC and SVC devices are represented by modification of the transmission line inductances and reactive power nodal corrections respectively. We find one placement and sizing of FACTs devices for multiple scenarios and optimal settings for each scenario simultaneously. Our solution of the nonlinear and nonconvex generalized AC-OPF consists of building a convergent sequence of convex optimizations containing only linear constraints and shows good computational scaling to larger systems. The approach is illustrated on single- and multi-scenario examples of the Matpower case-30 model.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

Development of Magnesium Oxysulfate Formulation for SRPPF Aqueous Recovery Liquid Solidification

The liquid effluent from the Savannah River Plutonium Processing Facility (SRPPF) Aqueous Recovery Processes will be solidified into a stable form that is acceptable by Waste Isolation Pilot Plant (WIPP) for disposal. The current Aqueous Recovery flow sheet proposes to solidify the liquid effluent using a grout formula that was developed and tested for the former Waste Solidification Building process. This Portland cement based mixture results in a high pH (~13) leachate from the solidified waste form which is not acceptable to WIPP in the large quantities expected from production at SRPPF. Various cementitious materials were previously evaluated as alternative grout formulations to Portland cement and a MgO-based mix was identified as a promising alternative. A magnesium oxysulfate (MOS) cement formulation comprised of reactive magnesium oxide (MgO), anhydrous magnesium sulfate (MgSO 4 ), and sand, as a non-reactive heat sink provided good mixability, similar density to the original Portland-cement based mix, and a leachate pH of 9.4, within the assumed WIPP brine pH range. However, the MOS formulation exhibited an appreciable amount of heat generation, which resulted in premature setting of a large-scale test.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1974

Developing a gas rocket performance prediction technique

A simple, semi-empirical performance correlation/prediction technique applicable to gaseous and liquid propellant rocket engines is presented. Excellent correlations were attained for over 100 test firings by adjusting the computation of the gaseous mixing of an unreactive, coaxial jet using a correlation factor, F, which resulted in prediction of the experimental combustion efficiency for each firing. Static pressure, mean velocity and turbulence intensity in the developing region of non-reactive coaxial jets, typical of those of coaxial injector elements were determined. Detailed profiles were obtained at twelve axial locations (extending from the nozzle exit for a distance of five diameters) downstream from a single element of the Bell Aerospace H2/O2 19-element coaxial injector. These data are compared with analytical predictions made using both eddy viscosity and turbulence kinetic energy mixing models and available computer codes. Comparisons were disappointing, demonstrating the necessity of developing improved turbulence models and computational techniques before detailed predictions of practical coaxial free jet flows are attempted.

Morgenthaler, J. H.↗

NASA NTRS1986

Shock waves and shock tubes; Proceedings of the Fifteenth International Symposium, Berkeley, CA, July 28-August 2, 1985

A detailed survey is presented of shock tube experiments, theoretical developments, and applications being carried out worldwide. The discussions explore shock tube physics and the related chemical, physical and biological science and technology. Extensive attention is devoted to shock wave phenomena in dusty gases and other multiphase and heterogeneous systems, including chemically reactive mixtures. Consideration is given to techniques for measuring, visualizing and theoretically modeling flowfield, shock wave and rarefaction wave characteristics. Numerical modeling is explored in terms of the application of computational fluid dynamics techniques to describing flowfields in shock tubes. Shock interactions and propagation, in both solids, fluids, gases and mixed media are investigated, along with the behavior of shocks in condensed matter. Finally, chemical reactions that are initiated as the result of passage of a shock wave are discussed, together with methods of controlling the evolution of laminar separated flows at concave corners on advanced reentry vehicles.

Bershader, D.↗

DOE OSTI2019

Effects of Reactive Power on Photovoltaic Inverter Reliability and Lifetime

For predicting the reliability and lifetime of Photovoltaic (PV) inverters, thermal cycling is considered the most important stressors in the inverter system. To realize this, a detailed electrothermal model of the PV inverter was developed along with the controllers. The model was verified by developing an in-house inverter, which was placed inside a thermal chamber to verify the losses and temperature rise within the system at various temperatures. After the verification of the model, a reduced order model of the inverter was implemented which can translate the mission profile of ambient temperature and solar irradiance into load profile of junction temperatures of the switches. The estimated junction temperature data was used to identify the reliability indices and predict the useful lifetime of the inverter system. After developing the models to predict useful lifetime of the system, the impact of reactive power on the overall reliability of the system was studied. Experiments show that lifetime and reliability of the inverter decreases as the operating power factor decreases from unity. The results are presented and discussed here.

14 SOLAR ENERGY↗

DOE OSTI2023

Early-life atomic-bomb irradiation accelerates immunological aging and elevates immune-related intracellular reactive oxygen species

Reactive oxygen species (ROS) play an important role in immune responses; however, their excessive production and accumulation increases the risk of inflammation-related diseases. Although irradiation is known to accelerate immunological aging, the underlying mechanism is still unclear. To determine the possible involvement of ROS in this mechanism, we examined 10,023 samples obtained from 3752 atomic-bomb survivors in Hiroshima and Nagasaki, who participated in repeated biennial examinations from 2008 to 2016, for the effects of aging and radiation exposure on intracellular ROS (H 2 O 2 and O 2 •- ) levels, percentages of T-cell subsets, and the effects of radiation exposure on the relationship between cell percentages and intracellular ROS levels in T-cell subsets. The cell percentages and intracellular ROS levels in T-cell subsets were measured using flow cytometry, with both fluorescently labeled antibodies and the fluorescent reagents, carboxy-DCFDA and hydroethidine. The percentages of naïve CD4 + and CD8 + T cells decreased with increasing age and radiation dose, while the intracellular O 2 •- levels in central and effector memory CD8 + T cells increased. Additionally, when divided into three groups based on the percentages of naïve CD4 + T cells, intracellular O 2 •- levels of central and effector memory CD8 + T cells were significantly elevated with the lowest radiation dose group in the naïve CD4 + T cells. Thus, the radiation exposure-induced decrease in the naïve CD4 + T cell pool size may reflect decreased immune function, resulting in increased intracellular ROS levels in central and effector memory CD8 + T cells, and increased intracellular oxidative stress.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

DOE OSTI2025

Impact of U-10Mo HALEU fuel element tolerances on the Massachusetts Institute of Technology reactor safety and operational performance – Thermal hydraulics

The U.S. is coordinating efforts for the conversion of six U.S. High Performance Research Reactors (USHPRR) including one critical facility from highly enriched uranium (HEU) to low-enriched uranium (LEU). In order to continue the mission of these reactors, including the Massachusetts of Institute of Technology Reactor (MITR), and achieve similar performance, high-assay low-enriched uranium (HALEU) with a high-density metallic alloy of uranium with 10 wt% molybdenum (U-10Mo) is being evaluated. The impact of the fabrication specification and tolerances was assessed following the preliminary design of the MITR LEU fuel elements using the U-10Mo monolithic alloy. This research focuses on the analysis of fabrication specification impact on thermal hydraulics (TH) characteristic of the MITR LEU core as a function of the variation of the relevant fuel specification parameters (e.g., coolant channel gap thickness, fuel plate thickness, etc.). The analyses are performed based on an all-fresh LEU fuel conversion plan identified in a preliminary safety analysis report submitted to the Nuclear Regulatory Commission. The reactor power margin to the onset of nucleate boiling (ONB) is assessed under the limiting safety system settings (LSSS), where a scram occurs, to ensure there is sufficient margin to the reactor safety limit, which is defined by the onset of flow instability that occurs after the ONB. The best estimate plus uncertainty approach is employed to analyze this TH characteristic, which yields realistic results while maintaining adequate conservatism, utilizing a statistical uncertainty propagation method with the STAT7 code. The TH characteristic is analyzed as a function of the variability of the specification parameters resulting from the fabrication process. The main findings of this study show that the MITR core can meet the TH safety and operational requirements at the all-LEU initial core startup (cycle 1), selected transition cycles (most reactive cycle and most limiting cycle: cycle 3 and 5, respectively) and equilibrium (cycle 14) cores under all limiting fabrication parameter combinations considered. In addition, the analyses show that the dependency of the core power margin to ONB on those specification parameters that have the most direct impact on TH performance is non-linear but monotonically decreasing within the specification tolerances. The third order polynomial fit curves are reported in detail for selected limiting cases and can serve as a powerful tool for future MITR fuel management in cases such as when HALEU supply is established that may allow additional cycle length or other operational benefits.

Conversion↗

DOE OSTI2016

Impacts of elevated dissolved CO 2 on a shallow groundwater system: Reactive transport modeling of a controlled-release field test

We report one of the risks that CO 2 geological sequestration imposes on the environment is the impact of potential CO 2 /brine leakage on shallow groundwater. The reliability of reactive transport models predicting the response of groundwater to CO 2 leakage depends on a thorough understanding of the relevant chemical processes and key parameters affecting dissolved CO 2 transport and reaction. Such understanding can be provided by targeted field tests integrated with reactive transport modeling. A controlled-release field experiment was conducted in Mississippi to study the CO 2 -induced geochemical changes in a shallow sandy aquifer at about 50 m depth. The field test involved a dipole system in which the groundwater was pumped from one well, saturated with CO 2 at the pressure corresponding to the hydraulic pressure of the aquifer, and then re-injected into the same aquifer using a second well. Groundwater samples were collected for chemical analyses from four monitoring wells before, during and after the dissolved CO 2 was injected. In this paper, we present reactive transport models used to interpret the observed changes in metal concentrations in these groundwater samples. A reasonable agreement between simulated and measured concentrations indicates that the chemical response in the aquifer can be interpreted using a conceptual model that encompasses two main features: (a) a fast-reacting but limited pool of reactive minerals that responds quickly to changes in pH and causes a pulse-like concentration change, and (b) a slow-reacting but essentially unlimited mineral pool that yields rising metal concentrations upon decreased groundwater velocities after pumping and injection stopped. During the injection, calcite dissolution and Ca-driven cation exchange reactions contribute to a sharp pulse in concentrations of Ca, Ba, Mg, Mn, K, Li, Na and Sr, whereas desorption reactions control a similar increase in Fe concentrations. Finally, after the injection and pumping stops and the groundwater flow rate decreases, the dissolution of relatively slow reacting minerals such as plagioclase drives the rising concentrations of alkali and alkaline earth metals observed at later stages of the test, whereas the dissolution of amorphous iron sulfide causes slowly increasing Fe concentrations.

58 GEOSCIENCES↗

DOE OSTI2021

A low power flexible dielectric barrier discharge disinfects surfaces and improves the action of hydrogen peroxide

There is an urgent need for disinfection and sterilization devices accessible to the public that can be fulfilled by innovative strategies for using cold atmospheric pressure plasmas. Here, we demonstrate a successful novel combination of a flexible printed circuit design of a dielectric barrier discharge (flex-DBD) with an environmentally safe chemical reagent for surface decontamination from bacterial contaminants. Flex-DBD operates in ambient air, atmospheric pressure, and room temperature without any additional gas flow at a power density not exceeding 0.5 W/cm 2 . The flex-DBD activation of a 3% hydrogen peroxide solution results in the reduction in the bacterial load of a surface contaminant of > 6log 10 in 90 s, about 3log 10 and 2log 10 better than hydrogen peroxide alone or the flex-DBD alone, respectively, for the same treatment time. We propose that the synergy between plasma and hydrogen peroxide is based on the combined action of plasma-generated OH · radicals in the hydrogen peroxide solution and the reactive nitrogen species supplied by the plasma effluent. A scavenger method verified a significant increase in OH · concentration due to plasma treatment. Novel in-situ FTIR absorption spectra show the presence of O 3 , NO 2 , N 2 O, and other nitrogen species. Ozone dissolving in the H 2 O 2 solution can effectively generate OH · through a peroxone process. The addition of the reactive nitrogen species increases the disinfection efficiency of the hydroxyl radicals and other oxygen species. Hence, plasma activation of a low concentration hydrogen peroxide solution, using a hand-held flexible DBD device results in a dramatic improvement in disinfection.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Approaches for the Simulation of Coupled Processes in Evolving Fractured Porous Media Enabled by Exascale Computing

Models have historically represented fractured porous media with continuum descriptions that characterize the media using bulk parameters. The impact of small-scale features is not captured in these models, although they may be controlling the performance of subsurface applications. Pore-scale models can simulate processes in small-scale features by representing the pore space geometry explicitly but are computationally expensive for large domains. The alternative multiscale approach entails the combination of pore-scale and continuum-scale descriptions in a single framework. We use Chombo-Crunch, a computational capability that discretizes complex geometries with an adaptive, embedded boundary method to contrast these two approaches. Chombo-Crunch takes advantage of recent computational performance and memory bandwidth improvements resulting from the emergence of exascale computing resources. These combined improvements enable the efficient simulation of reactive transport in fractured media with a high degree of fidelity and the ability to capture the control small-scale processes exert on the overall medium evolution.

42 ENGINEERING↗

DOE OSTI2020

Stable and radioactive carbon isotope partitioning in soils and saturated systems: a reactive transport modeling benchmark study

This benchmark provides the first rigorous test of a three-isotope system [ 12 C, 13 C, and 14 C] subject to the combined effects of radioactive decay and both stable equilibrium and kinetic fractionation. We present a series of problems building in complexity based on the cycling of carbon in both organic and inorganic forms. The key components implement (1) equilibrium fractionation between multiple coexisting carbon species as a function of pH, (2) radioactive decay of radiocarbon with associated mass-dependent speciation demonstrating appropriate correction of the Δ 14 C value in agreement with reporting convention, and (3) kinetic stable isotope fractionation due to the oxidation of organic carbon to inorganic forms as a function of time and space in an open, through-flowing system. Participating RTM codes are CrunchTope, ToughReact, Hytec, and The Geochemist’s Workbench. Across all problem levels, simulation results from all RTMs demonstrate good agreement.

58 GEOSCIENCES↗

DOE OSTI2022

The stability of expanding reactive shocks in a van der Waals fluid

Despite the extensive literature accumulated since the pioneering works of D'yakov and Kontorovich in the 1950s, the stability of steady shocks is still an open question when realistic boundary conditions are accounted. The consideration of a supporting mechanism, which is indeed a necessary condition for shock steadiness, modifies the perturbation shock dynamics in the unstable range. The Noh problem is a suitable example to form steady expanding shocks. This configuration is of great interest to the high-energy-density-physics community because of its direct application to inertial confinement fusion and astrophysics, for which the stagnation of a supersonically converging material via an accretion shock front is ubiquitous. Here in this work, we extend the generalized Noh problem, both base-flow solution and linear stability analysis, to conditions where endothermic or exothermic transformations undergo across the shock. Within the spontaneous acoustic emission conditions found for a van der Waals gas, we find that cylindrical and spherical expanding shocks become literally unstable for sufficiently high mode numbers. Counterintuitively, the effect of exothermicity or endothermicity across the shock is found to be stabilizing or destabilizing, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Dynamic Modeling of Full Converter Adjustable-speed Pumped Storage Hydropower (FC AS-PSH)

Full converter adjustable-speed pumped storage hydropower (FC AS-PSH) technology, as one of advanced-PSH technology, is developed from wind turbine technology. By making the synchronous machine connect to the grid through a full-size converter, FC AS-PSH has a wider adjustment range of speed and a better reactive power control capability compared with a doubly-fed asynchronous generator AS-PSH technology. When it plays as an energy backup in the power system, FC AS-PSH can provide a much faster response than conventional-PSH (C-PSH) which makes this technology provide better ancillary service for a high renewable penetrated system. In this paper, the dynamic modeling of FC AS-PSH is fully studied. We develop a detailed model of this technology in the IEEE 14-bus system based on GE Positive Sequence Load Flow (PSLF) platform. Especially, the first governor model is developed based on the Engineer’s Program Control Language (EPCL) user-defined model in this platform. All operation modes are validated and studied under a system contingency. Besides, comparison cases between FC AS-PSH and C-PSH are studied to show advantages providing from FC AS-PSH when it works with renewable energy.

50 EE - Wind and Water Power Program - Water (EE-4↗

DOE OSTI2013

Experimental Development and Demonstration of Ultrasonic Measurement Diagnostics for Sodium Fast Reactor Thermal-hydraulics

This research project will address some of the principal technology issues related to sodium-cooled fast reactors (SFR), primarily the development and demonstration of ultrasonic measurement diagnostics linked to effective thermal convective sensing under normal and off-normal conditions. Sodium is well-suited as a heat transfer medium for the SFR. However, because it is chemically reactive and optically opaque, it presents engineering accessibility constraints relative to operations and maintenance (O&M) and in-service inspection (ISI) technologies that are currently used for light water reactors. Thus, there are limited sensing options for conducting thermohydraulic measurements under normal conditions and off-normal events (maintenance, unanticipated events). Acoustic methods, primarily ultrasonics, are a key measurement technology with applications in non-destructive testing, component imaging, thermometry, and velocimetry. This project would have yielded a better quantitative and qualitative understanding of the thermohydraulic condition of sodium under varied flow conditions. The scope of work will evaluate and demonstrate ultrasonic technologies and define instrumentation options for the SFR.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2013

One pass core design of a super fast reactor

One pass core design for Supercritical-pressure light water-cooled fast reactor (Super FR) is proposed. The whole core is cooled with upward flow in one through flow pattern like PWR. Compared with the previous two pass core design; this new flow pattern can significantly simplify the core concept. Upper core structure, coolant flow scheme as well as refueling procedure are as simple as in PWR. In one pass core design, supercritical-pressure water is at approximately 25.0 MPa and enters the core at 280 C. degrees and is heated up in one through flow pattern upwardly to the average outlet temperature of 500 C. degrees. Great density change in vertical direction can cause significant axial power offset during the cycle. Meanwhile, Pu accumulated in the UO{sub 2} fuel blanket assemblies also introduces great power increase during cycle, which requires large amount of flow for heat removal and makes the outlet temperature of blanket low at the beginning of equilibrium cycle (BOEC). To deal with these issues, some MOX fuel is applied in the bottom region of the blanket assembly. This can help to mitigate the power change in blanket due to Pu accumulation and to increase the outlet temperature of the blanket during cycle. Neutron transport and thermohydraulics coupled calculation shows that this design can satisfy the requirement in the Super FR principle for both 500 C. degrees outlet temperature and negative coolant void reactivity. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Hydrogen Generation and Serpentinization of Olivine Under Flow Conditions

Serpentinization of olivine is often studied in the laboratory under batch conditions. Olivine conversion in situ with enhanced natural hydrogen production will likely be implemented via injection of aqueous solutions. Hence, transport is relevant to the extent of olivine reaction and, potentially, the morphology of precipitates formed. To test conditions for optimal H 2 generation and outcomes, serpentinization was induced by injecting pH = 12.5 brine at 0.015 cm 3 /min (0.5 pore volumes per day) into an olivine sand pack (250 to <355 μm grain size) at 245°C generating, at minimum 76 and 89 mol% H 2 at 35 and 57 d, respectively. Grain-coating serpentine with radiating needles cemented the reacted sand grains. Importantly, pore space was maintained between the dissolving grains and the serpentine precipitates. Hence, reactivity continued as a result of fluid access to mineral surfaces, the large grain size, and the continuous injection of undersaturated alkaline fluids.

08 HYDROGEN↗

DOE OSTI2023

Continuous partial oxidation of methane to methanol over Cu-SSZ-39 catalysts

Here, the direct conversion of methane to methanol using molecular oxygen as the oxidant is a grand challenge in the chemical sciences. Here we describe our efforts in using copper-exchanged SSZ-39 for this chemistry and show it is a promising material for this reaction. Testing in a continuous flow reactor at 225 °C, Cu-SSZ-39 showed superior activity for methane partial oxidation compared to Cu-SSZ-13 (site time yields of 26.9 ± 0.8 mol CH3OH ·mol Cu -1 ·h -1 *10 -3 versus 13.2 mol CH3OH ·mol Cu -1 ·h -1 *10 -3 respectively). A clear maximum in methanol productivity, both in terms of a mass catalyst basis and copper atom basis is observed for Cu-SSZ-39 at a Cu/Al ~ 0.2. Running this reaction in the absence of oxygen over samples with a Cu/Al > 0.1 the reactivity is markedly lower than that in the presence of oxygen unlike what is observed in SSZ-13.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

Microbial Activity and Precipitation at Solution-Solution Mixing Zones in Porous Media (Final Report)

The use of biological and chemical processes that degrade or immobilize contaminants in subsurface environments is a cornerstone of remediation technology. The enhancement of biological and chemical processes in situ, involves the transport, displacement, distribution and mixing of one or more reactive agents. Biological and chemical reactions all require diffusive transport of solutes to reaction sites at the molecular scale and accordingly, the success of processes at the meter-scale and larger is dictated by the success of phenomena that occur at the micron-scale. However, current understanding of scaling effects on the mixing and delivery of nutrients in biogeochemically dynamic porous media systems is limited, despite the limitations this imposes on the efficiency and effectiveness of the remediation challenges at hand. We therefore proposed to experimentally characterize and computationally describe the growth, evolution, and distribution of microbial activity and mineral formation as well as changes in transport processes in porous media that receive two or more reactive amendments. The model system chosen for this project was based on a method for immobilizing 90 Sr, which involves stimulating microbial urea hydrolysis with ensuing mineral precipitation (CaCO 3 ), and co-precipitation of Sr. Studies at different laboratory scales were used to visualize and quantitatively describe the spatial relationships between amendment transport and consumption that stimulate the production of biomass and mineral phases that subsequently modify the permeability and heterogeneity of porous media. Biomass growth, activity, and mass deposition in mixing zones was investigated using two-dimensional micro-model flow cells as well as flow cells that could be analyzed using synchrotron-based x-ray tomography. Larger-scale flow-cell experiments were conducted where the spatial distribution of media properties, flow, segregation of biological activity and impact on ancillary constituents (i.e., Sr) was determined. Model simulations accompanied the experimental efforts. The research contributed towards defining the key physical, chemical, and biological processes influencing the form and mobility of DOE priority contaminants (e.g., 60 Co, 90 Sr, U) in the subsurface. The work conducted and reported herein, will in the future (i) contribute to controlling the juxtaposition of microbial activity, contaminants and amendments, (ii) promote new strategies for delivering amendments, and (iii) allow new approaches for modifying permeability and flow in porous media. We feel that the work has already translated directly to improving the efficiency of amendment based remediation strategies. The results of the project have been published in a number of peer reviewed journal articles. The abstracts and citations to those articles, given in section 2.0 below, make up the bulk of this final report.

42 ENGINEERING↗