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At least 415 records · Page 23

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DOE OSTI2024

The Radiation-Induced Fate of Fission Product Iodine in Molten Salts

Understand and Predict Radiation-Induced Iodine Speciation, Chemistry, and Transport in High-Temperature Molten Salts Award Number: DE-AC07-05ID1451 Gregory P. Holmbeck (Gregory.Holmbeck@inl.gov), Center for Radiation Chemistry Research, Idaho National Laboratory, 1955 N. Fremont Avenue Idaho Falls, ID, 83415, USA. Project Scope The goal of this Chemical and Materials Sciences to Advance Clean Energy Technologies and Low-Carbon Manufacturing project is to understand and predict the radiation-induced speciation, chemistry, and transport of fission product iodine in the triumvirate extremes of high-temperature, ionizing radiation, and corrosive molten salts. This missing fundamental information is critical for the accelerated development and deployment of safe, clean nuclear energy based on molten salt reactor (MSR) and pyrochemical reprocessing technologies. The central hypothesis driving this research is, the radiation-induced conversion of iodide will yield an extensive suite of transient and steady-state iodine radiolysis products that will alter the bulk chemical and physical properties of the irradiated molten salt system—the speciation, distribution, and chemical transport of which will be dictated by the composition and the availability of multivalent metal cations and metal alloy interfaces. To test this hypothesis, this project initiated three synergistic Research Objectives: (1) determine how the inclusion of iodine/iodide influences the chemical and physical properties of complex molten salt mixtures; (2) elucidate the speciation and fundamental chemical behavior of transient and steady-state iodine/iodide species formed by the irradiation of molten and solid salt mixtures; and (3) understand the influence of interfacial processes on determining the final disposition of iodine in high temperature molten salts, notably the structure and chemical speciation of iodine at metal-salt interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Modeling and control of cascaded bridgeless multilevel rectifier under unbalanced load conditions

The goal of this project is to model and control a novel unidirectional cascaded multilevel bridgeless rectifier as an active front end in medium and high voltage applications. This topology has many advantages over a conventional cascaded H-bridge rectifier, such as lower implementation cost, higher reliability, and greater flexibility with similar power quality. The complete design process of the proposed converter is developed step by step in order to meet all the desired objectives. The steady-state mathematical model is used to develop a method for the voltage balancing of dc cells. Power factor analysis is discussed to mathematically derive requirements for the number of partially controlled and fully controlled H-bridges in the proposed H-bridge converter. Power loss, efficiency, and cost comparison studies between the traditional cascaded H-Bridge converter and the proposed bridgeless converter demonstrate the advantages. After exploring various well-established control methods, a novel control strategy is proposed to achieve dc voltage balancing, fast and robust grid synchronization, power factor correction, and elimination of zero crossing current distortion under both balanced and unbalanced load conditions. The converter can also be used for reactive power compensation in a grid tied power system if a sufficient number of fully controlled H-bridge modules are included. Processor-In-the-Loop (PIL) simulation has been the utilized to validate the performance of discrete control structure. Simulation and experimental results validate the models and control method.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Aligning theoretical and empirical representations of soil carbon-to-nitrogen stoichiometry with process-based terrestrial biogeochemistry models

Soil carbon-nitrogen (C:N) stoichiometry acts as a control over decomposition and soil organic matter formation and loss, making it a key soil property for understanding ecosystem dynamics and projected ecosystems responses to global environmental change. However, the controls of soil C:N and how they respond to increasing pressures from global change agents are not fully understood. The “foundational” controls on soil C:N, namely plant and microbial C:N, have been used to predict soil C:N, but fail to accurately simulate all ecosystems and may be insufficient for predictions under global environmental change. Here we present an “emerging” representation of controls of soil C:N that includes plant-microbe-mineral feedbacks that have been shown to regulate soil C:N. We argue that including representation of these emerging drivers in process-based terrestrial biogeochemistry models, which include biological N fixation, mycorrhizae, priming, root exudation of organic acids, and mineralogy (including soil texture, mineral composition, and aggregation), will improve mechanistic representation of soil C:N and associated processes. Such improvements will produce models that will better simulate a variety of ecological states and predict soil C:N when global changes modify plant-microbe-mineral interactions. Here, we align our empirical understanding of controls of soil C:N with those controls represented in models, identifying contexts where emerging drivers might be particularly important to represent (e.g., priming and root exudation in nutrient-limited conditions) and areas of future work. Additionally, we show that implementing emerging drivers of soil C:N results in different simulated outcomes at steady state and in response to elevated atmospheric CO2. Our review and preliminary simulations support the need to incorporate emerging drivers of soil C:N into process-based terrestrial biogeochemistry models, allowing for both theoretical exploration of mechanisms and potentially more accurate predictions of land biogeochemical responses to global change.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Fast Quasi-Static Time-Series Simulation for Accurate PV Inverter Semiconductor Fatigue Analysis with a Long-Term Solar Profile

Power system simulations with long-term data typically have large time steps varying from one second to a few minutes. However, for PV inverter semiconductors, the minimum thermal stress cycle occurs over the fundamental grid frequency (50 or 60 Hz). This requires the time step of the fatigue simulation to be around 100 µs. This small time step requires long computation times to process yearly power production profiles. This paper proposes a fast fatigue simulation for inverter semiconductors using the quasi-static time series (QSTS) simulation concept. The proposed simulation calculates the steady state of the semiconductor junction temperature by using a Fast Fourier Transform (FFT). The small thermal cycling during a switching period and even over the fundamental waveform is disregarded to further accelerate the simulation speed. The resulting time step of the fatigue simulation is 15 minutes, which is consistent with the solar dataset. The error of the proposed simulation is 0.16% compared to the fatigue simulation results using the complete thermal stress profile. A PV inverter that responds to a Transactive Energy System (TES) is simulated to demonstrate the use of the proposed fatigue simulation. The proposed simulation has the potential to co-simulate with system level simulation tools that also adopt the QSTS concept.

Liu, Yunting↗

NASA NTRS1985

High atmospheric NO(x) levels and multiple photochemical steady states

The rate of removal of atmospheric NO(x) compounds at different NO(x) levels is estimated using a one-dimensional photochemical model. NO(x) removal by wet deposition, surface deposition, and thermochemical processes is examined. NO(x) removal rates at different surface NO mixing ratios are calculated and the data are analyzed. It is revealed that at low NO(x) levels NO(x) is photochemically converted to HNO3 by either wet or dry deposition; however, at high NO(x) levels formation of HNO3 is inhibited due to the disappearance of tropospheric ozone and OH, and the NO(x) is removed by rainout of N2O4 and N2O5, surface deposition of NO and NO2, and direct dissolution of NO and NO2 in rainwater. The effects of NO(x) mixing ratios greater than 10 to the -7th on the ozone and climate are investigated.

Kasting, J. F.↗

NASA NTRSDate not supplied

Assessing Engine Hot Fire Data for Human Spaceflight Applications

Development and certification of liquid engine systems for human spaceflight missions requires exhaustive analysis to meet the NASA’s requirements for engine health, reliability, and performance. The techniques used to assess requirement conformance and test-to-test engine health pose many unique challenges including the unusually large scale of data, complex component and system analysis, and rigorous engineering judgement standards. To address these challenges, NASA Marshall Space Flight Center’s Engine Systems branch has developed and maintained a robust software suite and operational processes that satisfy programmatic requirements levied on engines and the 7 Elements of Flight Rationale. Analysis at a systems level includes subsystem assessment of components such as turbomachinery and combustion devices as well as structural and fluid dynamics and transient and steady-state assessment at a systems level. Some of the most important tools to accomplish this analysis are automated script databases, creation of historical and statistical comparisons, and parameters calculated at the full data rate. These tools greatly simplify the crucial processes of anomaly investigation, limit monitoring, health assessment, and timely communication of key conclusions drawn from hot fire testing and flight data analysis.

Data Assessment↗

NASA NTRSDate not supplied

Assessing Engine Hot Fire Data for Human Spaceflight Applications

Data Assessment↗

NASA NTRSDate not supplied

Assessing Hot Fire Data with WinPlot

Development and certification of liquid engine systems for human spaceflight missions requires exhaustive analysis to meet the NASA’s requirements for engine health, reliability, and performance. The techniques used to assess requirement conformance and test-to-test engine health and performance pose many unique challenges including the unusually large scale of data, complex component and system analysis, and rigorous engineering judgement standards. To address these challenges, NASA Marshall Space Flight Center’s Engine Systems branch has developed and maintained a robust software suite and operational processes that satisfy programmatic requirements levied on engines and the 7 Elements of Flight Rationale. Analysis at a systems level includes subsystem assessment of components such as turbomachinery and combustion devices as well as structural and fluid dynamics and transient and steady-state assessment at a systems level. Some of the most important tools to accomplish this analysis are automated script databases, creation of historical and statistical comparisons, and parameters calculated at the full data rate. These tools greatly simplify the crucial processes of anomaly investigation, limit monitoring, health assessment, and timely communication of key conclusions drawn from hot fire testing and flight data analysis.

J. Davis Hunter↗

NASA NTRS1991

Ignition and combustion characteristics of metallized propellants

Over the past six months, experimental investigations were continued and theoretical work on the secondary atomization process was begun. Final shakedown of the sizing/velocity measuring system was completed and the aluminum combustion detection system was modified and tested. Atomizer operation was improved to allow steady state operation over long periods of time for several slurries. To validate the theoretical modeling, work involving carbon slurry atomization and combustion was begun and qualitative observations were made. Simultaneous measurements of aluminum slurry droplet size distributions and detection of burning aluminum particles were performed at several axial locations above the burner. The principle theoretical effort was the application of a rigid shell formation model to aluminum slurries and an investigation of the effects of various parameters on the shell formation process. This shell formation model was extended to include the process leading up to droplet disruption, and previously developed analytical models were applied to yield theoretical aluminum agglomerate ignition and combustion times. The several theoretical times were compared with the experimental results.

Mueller, D. C.↗

DOE OSTI2022

Tuning Photoexcited Charge Transfer in Imine-Linked Two-Dimensional Covalent Organic Frameworks

The generation of a long-lived charge-separated state in versatile π-conjugated two-dimensional covalent organic frameworks (2D COFs), a process essential to extending their great potentials in advanced semiconducting applications, is yet fully elucidated. Herein, we report a systematic investigation of the photophysical properties of three highly crystalline imine-linked 2D COFs using steady-state and transient absorption spectroscopy accompanied by time-dependent density functional theory (TDDFT) calculations. The different electron affinity between 5,5',5''-(1,3,5-benzenetriyl)-tris(2-pyridinecarboxaldehyde) (BTPA) and three tunable electron-donating/accepting triamine monomers dominated the formation of the excited state, charge transfer direction and lifetime. A prominent charge transfer from electron-rich 4,4',4''-triaminotriphenylamine (TAPA) to BTPA in COFTAPA-BTPA led to the long-lived charge-separated state, which was attributed to a greater degree of delocalization compared to the two other COFs. Furthermore, these results provide fundamental insight into the importance of structure-property correlation for designing advanced photoactive 2D COF materials with the efficient charge transfer and long-lived charge-separated state.

14 SOLAR ENERGY↗

DOE OSTI2020

Spatiotemporal flame propagations, combustion and solid particle emissions from lean and stoichiometric gasoline direct injection engine operation

Increased particle number and mass emissions in gasoline direct injection (GDI) engines should require to investigate in-cylinder flame and combustion characteristics associated with primary source of particle emissions. In this article, in-cylinder spatiotemporal flame luminosity is quantitatively characterized to features combustion process and solid particle emissions from a GDI engine operating in two lean and one stoichiometric modes. Low- and high-steady state operating points were used to compare combustion strategies on flame development and emission characteristics. A fiber-optic sensor composed of eight measurement channels detected the flame front and the direction of the flame propagation in the combustion chamber. Solid particle emissions in the exhaust were measured using an engine exhaust particle sizer and a micro soot sensor. Results of the experiments showed that two lean combustion modes by injection strategies resulted in distinct combustion and flame development. Lean combustion modes generated high diffusion flame by burning stratified rich-mixture. Although the lean cases resulted in strong diffusion flames, the lean-homogeneous produced similar particle size distributions with the stoichiometric mode with high ash particles. Piston pool fires on the piston surface in the lean-stratified mode induced a large accumulation mode with high particle mass concentrations.

42 ENGINEERING↗

DOE OSTI2022

Flow and arrest in stressed granular materials

Flowing granular materials often abruptly arrest if not driven by sufficient applied stresses. Such abrupt cessation of motion can be economically expensive in industrial materials handling and processing, and is significantly consequential in intermittent geophysical phenomena such as landslides and earthquakes. Using discrete element simulations, we calculate states of steady flow and arrest for granular materials under the conditions of constant applied pressure and shear stress, which are also most relevant in practice. Here the material can dilate or compact, and flow or arrest, in response to the applied stress. Our simulations highlight that under external stress, the intrinsic response of granular materials is characterized by uniquely-defined steady states of flow or arrest, which are highly sensitive to interparticle friction. While the flowing states can be equivalently characterized by volume fraction, coordination number or internal stress ratio, to characterize the states of shear arrest, one needs to also consider the structural anisotropy in the contact network. Here, we highlight the role of dilation in the flow-arrest transition, and discuss our findings in the context of rheological transitions in granular materials.

36 MATERIALS SCIENCE↗

DOE OSTI2020

DUCTED ASSEMBLY STEADY STATE HEAT TRANSFER SOFTWARE

The Ducted Assembly Steady State Heat transfer software (DASSH) performs full core, steady state, subchannel temperature calculations for hexagonal, ducted assemblies. DASSH is targeted for use in the early stages of the reactor design process when assembly characteristics may not be defined or are undergoing considerable changes. DASSH provides a relatively rapid assessment of the temperature and flow distribution to inform reactor design updates and analysis.

ATZ, MILOSIVO↗

DOE OSTI2023

Noble Gas Transport in the MSRE

This study explores the relationship between the physicochemical parameter known as Henry’s gas constant and gas transport across a two-layer film interface. The investigation utilized the Gibbs free energy, incorporating surface and volume terms to elucidate trends in enthalpy and entropy. Notably, our findings align with experimental data and offer predictive insights into the Henry’s gas constants for helium and krypton, which hold significance for future experiments and theoretical developments. Furthermore, this study enhances the Gibbs free energy theory pertaining to the liquid–gas interface. It underscores the substantial contribution of noble gases in this region to volumetric energy as temperature increases. Additionally, we employed Monte Carlo simulations to analyze the effective thermal neutron multiplication factor, denoted as k eff . Our analysis reveals a linear correlation between graphite density and uniform density as a function of temperature. For the 1D Molten Salt Reactor Experiment (MSRE) system, we employed the Mole code to conduct heat and mass transfer calculations. These computations enable us to ascertain the distribution of fuel temperature based on coefficients and thermal properties. We also studied delayed neutron precursors during fuel cycling, taking into account the drift of cycling fuel through Mole–Griffin coupling. Our model represents k eff and β eff across various volume flow rates and salinity compositions. Finally, this study leveraged xenon-135 for continuous on-line monitoring of fuel salts to investigate the impact of steady-state xenon-135 on the MSRE and to better understand its distribution. These efforts build upon previous research related to removal processes.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Estimation of extreme temperatures in direct solar methane pyrolysis within a porous medium

Porous media have wide application in renewable energy conversion processes, such as solar-thermal fuels production and decarbonization. Heat transport mechanisms within porous media can be highly complex, particularly under extreme conditions encountered in concentrated solar thermal reactors in which direct measurement of temperature is challenging. Here, we implement and report an inverse heat conduction model to estimate the temperature distribution throughout a porous substrate domain in a direct solar methane pyrolysis process. By solving a two-dimensional heat transfer problem and applying an inverse optimization algorithm, we estimate the quasi-steady state spatial temperature distribution in a fibrous porous carbon substrate. The results are validated indirectly by experimentally measured graphite deposition and a simplified reaction kinetic model.

finite difference method↗

DOE OSTI2024

Neutrino-driven Outflows and the Elemental Abundance Patterns of Very Metal-poor Stars

Abstract The elemental abundances between strontium and silver ( Z = 38–47) observed in the atmospheres of very metal-poor stars in the Galaxy may contain the fingerprint of the weak r -process and ν p -process occurring in early core-collapse supernovae explosions. In this work, we combine various astrophysical conditions based on a steady-state model to cover the richness of the supernova ejecta in terms of entropy, expansion timescale, and electron fraction. The calculated abundances based on different combinations of conditions are compared with stellar observations, with the aim of constraining supernova ejecta conditions. We find that some conditions of the neutrino-driven outflows consistently reproduce the observed abundances of our sample. In addition, from the successful combinations, the neutron-rich trajectories better reproduce the observed abundances of Sr–Zr ( Z = 38–40), while the proton-rich ones, Mo–Pd ( Z = 42–47).

Astronomy & Astrophysics↗

NASA NTRS1975

Effect of Nozzle Nonlinearities upon Nonlinear Stability of Liquid Propellant Rocket Motors

A three dimensional, nonlinear nozzle admittance relation is developed by solving the wave equation describing finite amplitude oscillatory flow inside the subsonic portion of a choked, slowly convergent axisymmetric nozzle. This nonlinear nozzle admittance relation is then used as a boundary condition in the analysis of nonlinear combustion instability in a cylindrical liquid rocket combustor. In both nozzle and chamber analyses solutions are obtained using the Galerkin method with a series expansion consisting of the first tangential, second tangential, and first radial modes. Using Crocco's time lag model to describe the distributed unsteady combustion process, combustion instability calculations are presented for different values of the following parameters: (1) time lag, (2) interaction index, (3) steady-state Mach number at the nozzle entrance, and (4) chamber length-to-diameter ratio. In each case, limit cycle pressure amplitudes and waveforms are shown for both linear and nonlinear nozzle admittance conditions. These results show that when the amplitudes of the second tangential and first radial modes are considerably smaller than the amplitude of the first tangential mode the inclusion of nozzle nonlinearities has no significant effect on the limiting amplitude and pressure waveforms.

Padmanabhan, M. S.↗

NASA NTRS1990

Chemical heterogeneity and imperfect mixing in the solar nebula

The 'standard' accretion-disk model of the solar nebula is examined together with its basic equations, which are solved for the steady-state case. It is shown that, for this model of the solar nebula, the efficiency of mixing the products of thermochemical processing from small to large disk radii depends not on the magnitude of the eddy diffusivity but only on the ratio k between the eddy diffusivity and the eddy viscosity. In most cases, this ratio k is probably of order of unity or less, implying that most of the solar nebula was not contaminated by the consequences of thermochemical equilibria that were established at 'small' disk radii. It is noted that, while this condition is almost certainly satisfied if the physical process responsible for viscosity is thermal convection or waves, it has uncertain validity during the early phases of disk evolution where accretion-induced shear instabilities may dominate.

Stevenson, David J.↗