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At least 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Model‐Based Analysis of the Effects of Dam‐Induced River Water and Groundwater Interactions on Hydro‐Biogeochemical Transformation of Redox Sensitive Contaminants in a Hyporheic Zone

Abstract Biogeochemical processes in the hyporheic zone (HZ) may retard the contaminants migration from groundwater to the river and vice versa. Anthropogenic activities may further complicate such processes. This study investigated the effects of dam‐induced hydrodynamics on biogeochemical transformation of contaminants using Cr as an example in the HZ of the Columbia River at the U.S. Department of Energy's Hanford Site. The flow velocities in the HZ were first simulated using the measured or averaged groundwater level and river stage at hourly, daily, weekly, and monthly time scales. The flow velocities were then incorporated into a reactive transport model with independently characterized biogeochemical reactions and kinetics. Simulation results indicated that hydrodynamics can significantly influence the rate and extent of Cr (VI) biogeochemical transformation, which was mainly controlled by the kinetic reduction of Cr (VI) to sparely soluble Cr (III) by sediment‐associated Fe (II) that can be regenerated by microorganisms with organic carbon as electron donor. The frequent flow direction reversals in the HZ induced by dam operations enhanced the rate of microbial consumption of bioavailable OC, which, if there was no organic carbon supply, can eventually terminate the Fe (II) regeneration mechanism and exhaust the HZ's redox capacity in reducing Cr (VI) to Cr (III). This study demonstrated the importance of hydrodynamics on biogeochemical transformation of contaminants in the HZ and of the time scales used in assessing the reactive transport of chemicals and contaminants in the HZ as the net supply of redox sensitive chemicals such as dissolved oxygen into the HZ is a function of the frequency of flow direction reversal.

Yang, Chen↗
DOE OSTI2026

Assembly Bowing Reactivity Calculation Methodology Applied to Lead Fast Reactor

Ducted assemblies bow during operation due to power and temperature gradients which can be influenced by operating flow rates. For fast spectrum cores using ducted assemblies, the bowing behavior follows that of the duct and because there are gaps between the ducts, the bowing can result in compaction or expansion of the active core. This local displacement can have a positive or negative impact and knowing the net effect during transients is important for system reactivity control. Keeping the net bowing reactivity worth low is possible with attentive placement of load pads above the active core and selecting load pad gap thicknesses that result in a desired behavior at standard operating conditions. This paper considers a Lead Fast Reactor (LFR) concept fueled by HALEU UO2 developed by Westinghouse Electric Company (WEC) and applies a workflow of Argonne-developed codes to estimate the core bowing reactivity worth. Using orifice flow rates grouped by assembly type, the net reactivity impact due to core assembly bowing for the LFR was found to be small and in line with other liquid metal fast reactors: +29/+32/+35 pcm, or about +$0.049/+$0.055/+$0.059, for BOEC/MOEC/EOEC, respectively.

bowing reactivity↗
DOE OSTI2015

Reactivation of Kamb Ice Stream tributaries triggers century-scale reorganization of Siple Coast ice flow in West Antarctica

Ongoing, centennial-scale flow variability within the Ross ice streams of West Antarctica suggests that the present-day positive mass balance in this region may reverse in the future. Here we use a three-dimensional ice sheet model to simulate ice flow in this region over 250 years. The flow responds to changing basal properties, as a subglacial till layer interacts with water transported in an active subglacial hydrological system. We show that a persistent weak bed beneath the tributaries of the dormant Kamb Ice Stream is a source of internal ice flow instability, which reorganizes all ice streams in this region, leading to a reduced (positive) mass balance within decades and a net loss of ice within two centuries. This hitherto unaccounted for flow variability could raise sea level by 5 mm this century. Furthermore, better constraints on future sea level change from this region will require improved estimates of geothermal heat flux and subglacial water transport.

58 GEOSCIENCES↗
DOE OSTI2019

Production of Rounded Reactive Composite Ti/Al Powders for Selective Laser Melting by High-Energy Ball Milling

The effect of different regimes of high-energy ball milling (HEBM) on the morphology of reactive Ti–Al powders was studied. It is shown that a “soft” regime of mechanical treatment can be readily used to prepare spheroidal reactive Ti–Al powders with the flow ability suitable for selective laser melting applications. Size distribution of milled powders was found to depend on the diameter of milling balls. Milled powders showed good flow ability of 61.7 and 81.25 s for 2-mm and 6-mm balls, respectively. Combustion reaction in the compacts prepared from milled powders got started at temperatures close to the melting point of Al, and due to the thermal effect of reaction, the temperature jump made a value of about 500°C. The combustion product—Ti–TiAl{sub 3} composite—can be recommended for use as a high-temperature structural material.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The mechanisms, dynamics, and implications of self-sealing and CO 2 resistance in wellbore cements

Here, this study analyzes the dynamics and mechanisms of the interactions of carbonated brine with hydrated-Portland-cement; in particular, the study focuses on self-sealing, a process whereby hydrated-Portland cement reacts with carbonated brine to for silica and calcium carbonate in sufficient quantities to seal the flow pathway. The analysis is based on a comprehensive set of reactive-transport simulations that explore the complex coupled dynamics between the fluid flow and mineral reactions that underlie self-sealing, and it relies heavily on the synthesis of the extensive body of work on wellbore integrity that has been conducted over the past decade. The analysis explores a large chemical and mineralogical diversity and a wide range in physical conditions and flow regimes, attempting to assess the robustness of the analysis. Self-sealing conditions arise over a wide range in cement properties and reservoir conditions. Although some properties and conditions promote a stronger self-sealing response, self-sealing occurs for a wide range of Ca:Si ratios in cement and for various reservoir fluid compositions. Self-sealing conditions move along a wellbore proportional to the flux of the leaking carbonated brine, and the reaction zone spreads out proportional to the fluid velocity, where volumetric flux and velocity are related by porosity (flux = velocity * porosity). However, self-sealing conditions can be maintained in a specific section of a wellbore by controlling the pressure drive and/or effective wellbore permeability, which in turn can limit the flux and velocity of any leaking fluid. Finally, the phases produced by hydrating Portland cement represent a carbonic cement that will react with a carbonated brine to produce end products (calcium carbonate and silica) that can maintain integrity in the presence of carbonic acid. Lastly, the attributes that make hydrated Portland cement phases a carbonic cement are required for self-sealing.

58 GEOSCIENCES↗
DOE OSTI2015

Mechanism of CO 2 Hydrogenation on Pd/Al 2 O 3 Catalysts: Kinetics and Transient DRIFTS-MS Studies

The hydrogenation of CO 2 was investigated over a wide range of reaction conditions, using two Pd/γ-Al 2 O 3 catalysts with different Pd loadings (5% and 0.5%) and dispersions (~11% and ~100%, respectively). Turnover rates for CO and CH 4 formation were both higher over 5% Pd/Al 2 O 3 with a larger average Pd particle size than those over 0.5% Pd/Al 2 O 3 with a smaller average particle size. The selectivity to methane (22-40%) on 5% Pd/Al 2 O 3 was higher by a factor of 2-3 than that on 0.5% Pd/Al 2 O 3 . The drastically different rate expressions and apparent energies of activation for CO and CH 4 formation lead us to conclude that reverse water gas shift and CO 2 methanation do not share the same rate-limiting step on Pd, and that the two pathways are probably catalyzed at different surface sites. Measured reaction orders in CO 2 and H 2 pressures were similar over the two catalysts, suggesting that the reaction mechanism for each pathway does not change with particle size. In accordance, the DRIFTS results reveal that the prevalent surface species and their evolution patterns are comparable on the two catalysts during transient and steady-state experiments, switching feed gases among CO 2 , H 2 and CO 2 +H 2 . The DRIFTS and MS results also demonstrate that no direct dissociation of CO 2 takes place over the two catalysts, and that CO 2 has to first react with surface hydroxyls on the oxide support. The thus-formed bicarbonates react with dissociatively adsorbed hydrogen on Pd particles to produce adsorbed formate species (bifunctional catalyst: CO 2 activation on the oxide support, and H 2 dissociation on the metal particles). Formates near the Pd particles (most likely at the metal/oxide interface) can react rapidly with adsorbed H to produce CO, which then adsorbs on the metallic Pd particles. Two types of Pd sites are identified: one has a weak interaction with CO, which easily desorbs into gas phase at reaction temperatures, while the other interacts more strongly with CO, which is mainly in multi-bound forms and remains stable in He flow at high temperatures, but is reactive towards adsorbed H atoms on Pd leading eventually to CH 4 formation. 5% Pd/Al 2 O 3 contains a larger fraction of terrace sites favorable for forming these more stable CO species than 0.5% Pd/Al 2 O 3 . Consequently, we propose that the difference in the formation rate and selectivity to CH 4 on different Pd particle sizes stems from the different concentrations of the reactive intermediate for the methanation pathway on the Pd surface. JS gratefully acknowledges the financial support of this work by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

A dielectric-barrier discharge enhanced plasma brush array at atmospheric pressure

This study developed a large volume cold atmospheric plasma brush array, which was enhanced by a dielectric barrier discharge by integrating a pair of DC glow discharge in parallel. A platinum sheet electrode was placed in the middle of the discharge chamber, which effectively reduced the breakdown voltage and working voltage. Emission spectroscopy diagnosis indicated that many excited argon atoms were distributed almost symmetrically in the lateral direction of the plasma. The concentration variations of reactive species relative to the gas flow rate and discharge current were also examined.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Design improvements for a recirculating reactor: Enhanced temperature measurement and sample-isolated reactivity in steady-state kinetic studies

Building upon a previous recirculating reactor design [S.A. Tenney, K. Xie, J.R. Monnier, A. Rodriguez, R.P. Galhenage, S. Audrey, D.A. Chen, Rev. Sci. Instrum. 84, 104101 (2013)], we present significant improvements that address key limitations in steady-state kinetic measurements for heterogeneous catalysis. The enhanced reactor design features direct sample heating with a focused IR lamp and temperature measurement in direct contact with the sample, enabling more accurate temperature control and improved kinetic analysis. A critical advancement is the isolation of sample reactivity from reactor wall contributions, ensuring that only the sample contributes to measured reaction rates. This was a limitation in earlier designs where the entire reactor contributed to the observed reactivity. The system incorporates a bypass flow cell for direct comparison with powder catalysts under identical conditions using a standard plug-flow reactor configuration. We demonstrate these capabilities through CO oxidation experiments on Pt(111) single crystals and graphene-passivated Pt(111), highlighting the system's ability to differentiate catalytic activity in model systems and directly compare them with high surface area powder catalysts. This reactor is particularly suited for thin films and low surface area catalysts that are not effectively evaluated in traditional flow reactors, especially for samples with low numbers of active sites or slow reaction rates.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Calibration of reactive burn and Jones-Wilkins-Lee parameters for simulations of a detonation-driven flow experiment with uncertainty quantification

Here, uncertainties in the explosive-specific parameters of the Jones-Wilkins-Lee (JWL) equation of state (EOS) are carefully considered in hydrodynamic simulations of an explosive experiment to minimize the error in the flow prediction. Experimental data of the leading shock position in the transverse direction over time serves as the prediction metric for quantifying simulation prediction error. The uncertainty quantification technique, global sensitivity analysis, is utilized to determine the JWL parameters to which the transverse shock propagation is most sensitive. A polynomial response surface (PRS) is constructed in the space of the most influential JWL parameters, and the point of minimum error between the experimental data and the PRS yields calibrated JWL parameters for the experimental flow. The simulation results following the parameter calibration show good agreement with the experimental data. It was found that two significant parameters, the heat release per unit mass of reactant Q and JWL model exponent R 1 are strongly related, which makes it difficult to identify accurate values.

36 MATERIALS SCIENCE↗
DOE OSTI2020

THERMAL SAFETY MARGIN CALCULATION OF THE MP-2 EXPERIMENT IN THE ADVANCED TEST REACTOR

The Mini-Plate 2 (MP-2) irradiation test is a fueled experiment designed for irradiation in multiple test locations in the Advanced Test Reactor (ATR) at the Idaho National Laboratory (INL). The experiment is a drop-in test where small aluminum-clad fuel plate samples (mini plates) are cooled directly by the ATR Primary Coolant System (PCS) water. The MP-2 fuel plate experiment will be irradiated in several different irradiation locations of the ATR. This fueled experiment contains aluminum-clad fuel mini plates consisting of monolithic U-Mo. Four different types of fuel plates with fuel meat thickness and cladding are part of the MP-2 test. A thermal analysis has been performed on the MP-2 experiment. A method for calculating Departure from Nucleate Boiling Ratio (DNBR) and Flow Instability Ratio (FIR) during a reactivity transient using the commercial finite element and heat transfer code ABAQUS is discussed. At the start of an ATR cycle the heat generation rate of the fueled experiment is high and the heat rate multiplier from the outer shim control cylinders is low, while the reverse is true at the end of the ATR cycle. Thermal analyses at 10 day increments during the cycle calculate the DNBR and FIR during a reactivity transient. This technique calculates DNBR for the fuel plate surfaces and FIR for all water components for each finite element surface and node at various times during the ATR cycle. Heat rates vary with time during the transient calculation that are provided by a detailed physics analysis. Oxide growth on the fuel plates is also incorporated Results from the transient calculations are displayed with the ABAQUS post processor. By calculating these parameters at each location in the finite element model, conservatism is replaced with accuracy. This allows for a greater margin for the thermal hydraulic safety parameters.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

The SAS4A/SASSYS-1 Version 5.8 Safety Analysis Code System

SAS4A/SASSYS-1 is a software simulation tool used to perform deterministic analysis of anticipated events as well as design basis and beyond design basis accidents for advanced nuclear reactors. Detailed, mechanistic models of steady-state and transient thermal, hydraulic, kinetic, and mechanical phenomena are employed to describe the response of the reactor core, the reactor primary and secondary coolant loops, the reactor control and protection systems, and the balance-of-plant to accidents caused by changes in coolant flow, loss of heat rejection, or reactivity insertion. The consequences of single and double-fault accidents can be modeled, including fuel and coolant heating, fuel and cladding mechanical behavior, core reactivity feedbacks, coolant loop performance including natural circulation, and decay heat removal. Analyses are typically terminated upon demonstration of reactor and plant shutdown to permanently coolable conditions, or upon violation of design basis margins. The objective of the analysis is to quantify accident consequences as measured by the transient behavior of system performance parameters, such as fuel and cladding temperatures, reactivity, and cladding strain. Originally developed for analysis of sodium cooled reactors with oxide fuel clad by stainless steel, the models were subsequently extended and specialized to metallic fuel clad with advanced alloys and to several other coolant options, including lead, LBE, and water.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1992

Modulating Concentration Of Hydrazine Vapor To Aid Detection

Three techniques, flow modulation, filament modulation, and reactive-filter modulation developed to obtain selective response to hydrazine or to methyl hydrazines from photoionization detector. Implemented in portable selective hydrazine detectors, useful where continuous or rapid, repetitive quantitative measurements of concentrations of vapors of these toxic substances required. Measure concentration of gaseous hydrazines in presence of other gases like cyclohexane, chlorofluorocarbons, and ammonia. Produce modulated signal, amplitude and phase indicating amount of hydrazine, monomethyl hydrazine, or 1,1-dimethyl hydrazine present in mixture. Used with such other detectors as electrochemical cells.

Stetter, Joseph R.↗
DOE OSTI2017

SAS4A/SASSYS-1 VERSION 5.2 SAFETY ANALYSIS CODE SYSTEM

SAS4A/SASSYS-1 is a software simulation tool used to perform deterministic safety analysis of anticipated events as well as design basis and beyond design basis accidents for advanced nuclear reactors. This software can be used to assess the safety of a prescribed reactor design, but it cannot be used to configure a design to meet targeted performance objectives. Detailed, mechanistic models of steady-state and transient thermal, hydraulic, kinetic, and mechanical phenomena are employed to describe the response of the reactor core, the reactor primary and secondary coolant loops, the reactor control and protection systems and the balance-of-plant to accidents caused by changes in coolant flow, oss of heat rejection, or reactivity insertion. The consequences of single and double-fault accidents can be modeled, including fuel and coolant heating, fuel and cladding mechanical behavior, core reactivity feedbacks, coolant loop performance including natural circulation, and decay heat removal. Analyses are typically terminated upon demonstration of reactor and plant shutdown to permanently coolable conditions or upon violation of design basis margins. The objective of the analysis is to quantify accident consequences as measured by the transient behavior of system performance parameters, such as fuel and cladding temperatures, reactivity, and cladding strain. Originally developed for analysis of sodium cooled reactors with oxide fuel clad by stainless steel, the models In SAS4A/SASSYS-1 were subsequently extended and specialized to metallic fuel clad with advanced alloys and to several other coolant options including lead and LBE. METHOD OF SOLUTION: Each subassembly in the reactor core is represented with single or multiple-pin models. One channel represents one or more fuel pins and many channels are employed for a whole-core representation. Heat transfer in each pin is modeled with a two-dimensional (r/z) heat conduction equation. Single and two-phase coolant thermal-hydraulics are simulated with a unique, one-dimensional (axial) multiple-bubble liquid metal boiling model. The transient fuel and cladding mechanical behavior models are integrated with fission product production,release, and transport models. UNIQUE FEATURES: The physical models in SAS4AJSASSYS-1 are highly detailed 1umerical representations of reactor accident conditions based on extensive laboratory and test reactor results. The models are specialized to liquid metal (sodium) cooled fast reactors with oxide or metallic fuel clad with stainless steel.«

Fanning, Thomas↗
DOE OSTI2021

Modeling Nuclear Thermal Propulsion Startup Transients

A poster for the 2021 intern poster session. This poster details the RELAP-7/Griffin model developed for transient simulations to compare the effects of startup sequencing on the propellant efficiency, startup time, and maximum core temperature of a nuclear thermal propulsion (NTP) system. The sequencing parameters under consideration in this study are the ramping rates of both reactivity insertion and hydrogen propellant mass flow rate. Recommendations are made regarding startup sequencing based on the results produced by this model.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Thermal Model of Oxide Growth for Full Size Fuel Plate Experiments in the Advanced Test Reactor

The full-size plate number one (FSP-1) irradiation test designed for irradiation testing of plate type fuel is planned to be irradiated in the Advanced Test Reactor (ATR) at the Idaho National Laboratory (INL). This FSP-1 experiment is a non-instrumented drop-in test where aluminum-clad fuel plates are cooled directly by the ATR Primary Coolant System (PCS) water. This experiment is one of a series of experiments being irradiated at ATR for the United States High Performance Research Reactor (USHPRR) program. This fueled experiment contains aluminum-clad fuel full-size plates consisting of monolithic U-10Mo. Previous thermal analyses have been documented concerning oxide growth [1] and thermal safety margins [2] for similar U-10Mo mini plate experiments. This analysis is part of the thermal safety analysis of the experiment to be irradiated in ATR. Departure from nucleate boiling ratio (DNBR) and flow instability ratio (FIR) have been calculated for the flow coastdown condition 2 and the reactivity insertion accident condition-2 (RIA2) transient. The purpose of this paper is to investigate the thermal margin of the fuel meat during a RIA2 transient when oxide has accumulated on the plate surfaces acting as an insulator.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Photovoltaic Inverter Controllers Seeking AC Optimal Power Flow Solutions

This paper considers future distribution networks featuring inverter-interfaced photovoltaic (PV) systems, and addresses the synthesis of feedback controllers that seek real- and reactive-power inverter setpoints corresponding to AC optimal power flow (OPF) solutions. The objective is to bridge the temporal gap between long-term system optimization and real-time inverter control, and enable seamless PV-owner participation without compromising system efficiency and stability. The design of the controllers is grounded on a dual ..epsilon..-subgradient method, while semidefinite programming relaxations are advocated to bypass the non-convexity of AC OPF formulations. Global convergence of inverter output powers is analytically established for diminishing stepsize rules for cases where: i) computational limits dictate asynchronous updates of the controller signals, and ii) inverter reference inputs may be updated at a faster rate than the power-output settling time.

14 SOLAR ENERGY↗