Search NASA⌕ Search

SEARCH · Search NASA

Results for “Kinetics Parameters”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 433 records · Page 24

Phosphate Reactions as Mechanisms of High-Temperature Lubrication

One of the major problems preventing the operation of advanced gas turbine engines at higher temperatures is the inability of currently used liquid lubricants to survive at these higher temperatures under friction and wear conditions. Current state-of-the-art organic liquid lubricants rapidly degrade at temperatures above 300 C; hence some other form of lubrication is necessary. Vapor-phase lubrication is a promising new technology for high-temperature lubrication. This lubrication method employs a liquid phosphate ester that is vaporized and delivered to bearings or gears; the vapor reacts with the metal surfaces, generating a solid lubricious film that has proven very stable at high temperatures. In this study, solid lubricious films were grown on cast-iron foils in order to obtain reaction and diffusion rate data to help characterize the growth mechanism. A phenomenological mathematical model of the film deposition process was derived incorporating transport and kinetic parameters that were coupled to the experimental data. This phenomenological model can now be reliably used as a predictive and scale-up tool for future vapor-phase lubrication studies.

Nagarajan, Anitha↗

A Cell Kinetic Model of Granulocytopoiesis Under Radiation Exposure: Extension from Murines to Canines and Humans

Space radiation poses significant challenges to space travel, and it is essential to understand the possible adverse effects from space radiation exposure to the radiosensitive organ systems that are important for immediate survival of human, e.g., the hematopoietic system. In this presentation a biomathematical model of granulocytopoiesis is described and used to analyze the blood granulocyte changes seen in the blood of mammalians under continuous and acute radiation exposure. This is one of a set of hematopoietic models that have been successfully utilized to simulate and interpret the experimental data of acute and chronic radiation on rodents. We discuss the underlying implicit regulation mechanism and the biological relevance of the kinetic parameters estimation method. Extension of the model to predictions in dogs and humans systems indicates that the modeling results are consistent with the cumulative experimental and empirical data from various sources. This implies the potential to integrate the models into one united system for monitoring the hematopoietic response of various species under irradiation. Based on the evidence of threshold responses of dogs to extended periods of low daily dose exposures, we discuss the potential health risks of the space traveler under chronic stress of low-dose irradiation and the possibly encountered Solar Particle Events.

Hu, Shaowen↗

Photolysis of Pure Solid O3 and O2 Films at 193nm

We studied quantitatively the photochemistry of solid O3 and O2 films at 193 nm and 22 K with infrared spectroscopy and microgravimetry. Photolysis of pure ozone destroyed O3, but a small amount of ozone remained in the film at high fluence. Photolysis of pure O2 produced O3 in an amount that increased with photon fluence to a stationary level. For both O2 and O3 films, the O3:O2 ratio at large fluences is ?0.07, about two orders of magnitude larger than those obtained in gas phase photolysis. This enhancement is attributed to the increased photodissociation of O2 due to photoabsorption by O2 dimers, a process significant at solid-state densities. We obtain initial quantum yield for ozone synthesis from solid oxygen, phi (O3) = 0.24 0.06, and quantum yields for destruction of O3 and O2 in their parent solids, phi(-O3) = 1.0 0.2 and phi(-O2) = 0.36 0.1. Combined with known photoabsorption cross sections, we estimate probabilities for geminate recombination of 0.5 0.1 for O3 fragments and 0.88 0.03 for oxygen atoms from O2 dissociation. Using a single parameter kinetic model, we deduce the ratio of reaction cross sections for an O atom with O2 vs. O3 to be 0.1 0.2. The general good agreement of the model with the data suggests the validity of the central assumption of efficient energy and spin relaxation of photofragments in the solid prior to their reactions with other species.

Raut, U.↗

Forecasting Propagation and Evolution of CMEs in an Operational Setting: What Has Been Learned

One of the major types of solar eruption, coronal mass ejections (CMEs) not only impact space weather, but also can have significant societal consequences. CMEs cause intense geomagnetic storms and drive fast mode shocks that accelerate charged particles, potentially resulting in enhanced radiation levels both in ions and electrons. Human and technological assets in space can be endangered as a result. CMEs are also the major contributor to generating large amplitude Geomagnetically Induced Currents (GICs), which are a source of concern for power grid safety. Due to their space weather significance, forecasting the evolution and impacts of CMEs has become a much desired capability for space weather operations worldwide. Based on our operational experience at Space Weather Research Center at NASA Goddard Space Flight Center (http://swrc.gsfc.nasa.gov), we present here some of the insights gained about accurately predicting CME impacts, particularly in relation to space weather operations. These include: 1. The need to maximize information to get an accurate handle of three-dimensional (3-D) CME kinetic parameters and therefore improve CME forecast; 2. The potential use of CME simulation results for qualitative prediction of regions of space where solar energetic particles (SEPs) may be found; 3. The need to include all CMEs occurring within a ~24 h period for a better representation of the CME interactions; 4. Various other important parameters in forecasting CME evolution in interplanetary space, with special emphasis on the CME propagation direction. It is noted that a future direction for our CME forecasting is to employ the ensemble modeling approach.

forecasting↗

Prototype Biology-Based Radiation Risk Module Project

Biological effects of space radiation and risk mitigation are strategic knowledge gaps for the Evolvable Mars Campaign. The current epidemiology-based NASA Space Cancer Risk (NSCR) model contains large uncertainties (HAT #6.5a) due to lack of information on the radiobiology of galactic cosmic rays (GCR) and lack of human data. The use of experimental models that most accurately replicate the response of human tissues is critical for precision in risk projections. Our proposed study will compare DNA damage, histological, and cell kinetic parameters after irradiation in normal 2D human cells versus 3D tissue models, and it will use a multi-scale computational model (CHASTE) to investigate various biological processes that may contribute to carcinogenesis, including radiation-induced cellular signaling pathways. This cross-disciplinary work, with biological validation of an evolvable mathematical computational model, will help reduce uncertainties within NSCR and aid risk mitigation for radiation-induced carcinogenesis.

Terrier, Douglas↗

Characterization of CO Thermochemistry in Incident Shockwaves

Incident shock waves in pure CO have been characterized in the Electric Arc Shock Tube facility at NASA Ames Research Center. Spectrally and spatially resolved emission spectra characterize radiative signatures from CO in the VUV (Vacuum Ultra-Violet) and mid-infrared and atomic carbon and C2 in the visible. CO absorption of a single vibrational line is also measured with a tunable diode laser. The experimental data analyzed here are at a pressure of 0.25 Torr in the driven section and span a shock velocity range from 3.4-9.5 km/s. The emission and absorption signals are analyzed to extract temperature relaxation behind the shock which is used to derive the rate of CO dissociation. The emission spectra are compared to results using different kinetic parameters for CO dissociation and C2 dissociation and exchange. Different rates from the literature are found to match the data from 3.4-6.6 km/s and 6.6-9.5 km/s. Areas for improvement in CO and C2 radiation modeling are suggested on the basis of the analysis.

Entry↗

Characterization of CO Thermochemistry in Incident Shockwaves

Incident shock waves in pure CO have been characterized in the Electric Arc ShockTube facility at NASA Ames Research Center. Spectrally and spatially resolved emissionspectra characterize radiative signatures from CO in the VUV and mid-infrared and atomiccarbon and C2 in the visible. CO absorption of a single vibrational line is also measuredwith a tunable diode laser. The experimental data analyzed here are at a pressure of 0.25Torr in the driven section and span a shock velocity range from 3.4-9.5 km/s. The emissionand absorption signals are analyzed to extract temperature relaxation behind the shockwhich is used to derive the rate of CO dissociation. The emission spectra are compared toresults using different kinetic parameters for CO dissociation and C2 dissociation andexchange. Different rates from the literature are found to match the data from 3.4-6.6 km/sand 6.6-9.5 km/s. Areas for improvement in CO and C2 radiation modeling are suggested onthe basis of the analysis.

CO↗

Performance of U3Si2 Fuel in a Reactivity Insertion Accident

In this study we examined the performance of the U3Si2 fuel cladded with Zircaloy (Zr) in a reactivity insertion accident (RIA) in a PWR core. The power excursion as a result of a $1 reactivity insertion was calculated by a TRACE PWR plant model using point-kinetics, for alternative cores with UO2 and U3Si2 fuel assemblies. The point-kinetics parameters (feedback coefficients, prompt-neutron lifetime and group constants for six delayed-neutron groups) were obtained from beginning-of-cycle equilibrium full core calculations with PARCS. In the PARCS core calculations, the few-group parameters were developed utilizing the TRITON/NEWT tools in the SCALE package. In order to assess the fuel response in finer detail (e.g. the maximum fuel temperature) the power shape and thermal boundary conditions from the TRACE/PARCS calculations were used to drive a BISON model of a fuel pin with U3Si2 and UO2 respectively. For a $1 reactivity transient both TRACE and BISON predicted a higher maximum fuel temperature for the UO2 fuel than the U3Si2 fuel. Furthermore, BISON is noted to calculate a narrower gap and a higher gap heat transfer coefficient than TRACE. This resulted in BISON predicting consistently lower fuel temperatures than TRACE. This study also provides a systematic comparison between TRACE and BISON using consistent transient boundary conditions. The TRACE analysis of the RIA only reflects the core-wide response in power. A refinement to the analysis would be to predict the local peaking in a three-dimensional core as a result of control rod ejection.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Neutronics Phenomena Important in Modeling and Simulation of Liquid-Fuel Molten Salt Reactors

This paper discusses liquid-fuel molten salt reactors, how they will operate under normal, transient, and accident conditions, and the results of an expert elicitation to determine the corresponding neutronic phenomena important to understanding their behavior. Identifying these phenomena will enable the U.S. Nuclear Regulatory Commission (NRC) to develop or identify modeling functionalities and tools required to carry out confirmatory analyses that examine the validity and accuracy of applicants’ calculations and help determine the margin of safety in plant design. NRC frequently does an expert elicitation using a Phenomena Identification and Ranking Table (PIRT) to identify and evaluate the state of knowledge of important modeling phenomena. However, few details about the design of these reactors and the sequence of events during accidents are known, so the process used was considered a preliminary PIRT. A panel met to define phenomena that would need to be modeled and considered the impact/importance of each phenomenon with respect to specific figures-of-merit (FoMs) (e.g., power distribution, fluence, kinetics parameters and reactivity). Each FoM reflected a potential impact on radionuclide release or loss of a barrier to release. The panel considered what the path forward might be with respect to being able to model the phenomenon in a simulation code. Results are explained for both thermal and fast spectrum designs.

42 ENGINEERING↗

Temporal Analysis Of Product Computational Methods

The temporal analysis of products (TAP) reactor provides a wealth of data for transient studies of gas phase heterogeneous reactions, with the ability to provide a comprehensive picture of intrinsic reaction kinetics pertaining to complex catalytic mechanisms. A novel framework called the Y-Procedure was previously developed by Yablonsky and coworkers to extract information from this non-steady-state kinetic data. The Y-Procedure reconstructs the chemical transformation rate and gas composition in the catalytic zone with no a priori assumptions on the kinetic model and is used to relate changes in catalytic reaction rates and kinetic parameters to changes in a catalyst’s surface composition. This code provides the required steps to pre-process, analyze, and perform the Y-Procedure on experiments derived from the TAP reactor.

Kunz, Matthew R.↗

Future of the MUSiC Experiment Data

The Measurements of Uranium Subcritical and Critical (MUSiC) experiment was a highly enriched uranium (HEU) experiment performed at the National Criticality Experiments Research Center (NCERC) executed between December 2020 and April 2021. The experiment intended to measure criticality and reactor kinetics parameters in a bare HEU system. The experiment concurrently measured radiation signatures from the system while utilizing different neutron source types. This was an attempt to benchmark both detectors and analysis techniques against one another for identical measurements. The experiment consisted of the Rocky Flats HEU hemi-shells constructed into ten configurations spanning between deeply subcritical (about 14 kgs) to supercritical (about 60 kgs). Two of the ten configurations were supercritical and the other eight were subcritical. The two supercritical configurations, often referred to as the critical configurations, were documented into an International Criticality Safety Benchmark Evaluation Project (ICSBEP) benchmark evaluation and submitted to the technical review group (TRG). The subcritical configurations of the MUSiC experiment were examined using three different detection systems. The systems include: the NoMAD He-3 neutron detector which consists of 15 He-3 tubes surrounded by a polyethylene matrix, a liquid scintillator system called the Rossi-α Measurement Rapid Organic Discriminating Detector (RAM-RODD), and a trans-stilbene organic scintillator array (OSCAR) provided by the University of Michigan. The NoMAD and RAM-RODD data are planned to be evaluated in two separate ICSBEP evaluations utilizing neutron noise methods such as Feynman Variance-to-Mean, Rossi-α and the pulsed neutron source method. Each of the subcritical configurations were examined using three different source types including: a Cf-252 source in the center, with only the intrinsic neutron source in the HEU, and with an external D-T neutron generator.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Analysis of the MUSIC 3 He Multiplicity Data

A measurement campaign called the Measurement of Uranium Subcritical and Critical (MUSiC) was performed on a range of configurations of highly-enriched uranium (HEU) from December 2020 through April of 2021. While part of the focus was to measure reactor kinetics parameters on delayed supercritical systems, an additional focus was performing neutron noise measurements on subcritical configurations from deeply subcritical to nearly delayed critical. Multiple detector systems were used to perform these measurements, such as a 3 He multiplicity detector called the Neutron Multiplicity Array Detector (NoMAD) and a liquid scintillator system called the Rossi-α Measurement Rapid Organic Discriminating Detector (RAM-RODD). Also included were a scintillator system from the University of Michigan and a set of small 3He tubes that have previously been used to measure Rossi-α values on near-critical systems. The focus of this paper will be a comparison of prospective analysis methods for the NoMAD measurements. Previous subcritical measurements at the National Criticality Experiments Research Center (NCERC) submitted to the International Criticality Safety Benchmark Evaluation Project (ICSBEP) used the Hage-Cifarelli formalism of the Feynman Variance-to-Mean method. This relies on the time correlations of neutron detections to infer the spontaneous fission rate and neutron multiplication of a system through binning the time tagged detections and analyzing resulting histograms of the numbers of counts. However, there are other neutron noise methods that rely on similar processes, such as the Hansen-Dowdy formalism which uses a slightly different methodology to extract multiplication from the neutron multiplicity counting moments. Comparisons can be made between these experimental results and those obtained through simulations to validate or identify deficiencies in analysis, detection methods, or the underlying nuclear data. Different time gating strategies and their effects on count rate uncertainties are also investigated.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Application of Interparticle Spacing Model to Maximize Filler Content in Cementitious Pastes

One of the most impactful ways to reduce embodied carbon of concrete in the near term is by partially replacing Portland cement with supplementary cementitious materials and/or fillers. This article describes an approach to reduce cement content in concrete through the development of high filler, low water (HFLW) cementitious pastes. Pastes with cement content as low as 50% (% weight of fines) were designed by applying models that maximize the packing density of the granular system and that consider the characteristics of the materials to calculate interparticle spacing (IPS), thereby allowing to obtain pastes with higher solids concentration and lower water demand. Strong correlations were found between IPS, the consistency index of the Herschel-Bulkley rheological model, and cement hydration kinetic parameters of binary and ternary pastes containing a Portland limestone cement and up to two different types of ground limestone. The approach showed to be feasible for the design of HFLW concrete paste fraction.

Antunes da Silva, Denise↗

Performance of U{sub 3}Si{sub 2} fuel in a reactivity insertion accident

In this study we examined the performance of the U{sub 3}Si{sub 2} fuel cladded with Zircaloy (Zr) in a reactivity insertion accident (RIA) in a PWR core. The power excursion as a result of a $1 reactivity insertion was calculated by a TRACE PWR plant model using point-kinetics, for alternative cores with UO{sub 2} and U{sub 3}Si{sub 2} fuel assemblies. The point-kinetics parameters (feedback coefficients, prompt-neutron lifetime and group constants for six delayed neutron groups) were obtained from beginning-of-cycle equilibrium full core calculations with PARCS. In the PARCS core calculations, the few-group parameters were developed utilizing the TRITON/NEWT tools in the SCALE package. In order to assess the fuel response in finer detail (e.g. the maximum fuel temperature), the power shape and thermal boundary conditions from the TRACE/PARCS calculations were used to drive a BISON model of a fuel pin with U{sub 3}Si{sub 2} and UO{sub 2} respectively. For a $1 reactivity transient, both TRACE and BISON predicted a higher maximum fuel temperature for the UO{sub 2} fuel than the U{sub 3}Si{sub 2} fuel. Furthermore, BISON is noted to calculate a narrower gap and a higher gap heat transfer coefficient than TRACE. This resulted in BISON predicting consistently lower fuel temperatures than TRACE. This study also provided a systematic comparison between TRACE and BISON using consistent transient boundary conditions. The TRACE analysis of the RIA only reflected the core-wide response in power. A refinement to the analysis would be to predict the local peaking in a three-dimensional core as a result of control rod ejection and at hot zero power conditions. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Release of MCNP6.2 and WHISPER-1.1 - Guidance for NCS users

In 2017, a new version of the MCNP6 Monte Carlo code package was released: MCNP6.2. This is the first version of MCNP to include the WHISPER package to support sensitivity-uncertainty based nuclear criticality safety validation. The coding changes to MCNP6.2 physics are relatively insignificant. Corrections to the S(α,β) thermal scattering numerics are generally negligible relative to problem statistics (or, in rare cases, prevent aborts). Similarly, the changes to adjoint-weighting for computing kinetics parameters may result in small differences, generally negligible compared to problem statistics. The change to the MCNP6.2 geometry treatment to correctly handle coincident surfaces in problems with universe/fill features will produce different round-off in the geometry tracking. This will produce differences in results relative to previous versions, but those differences should be small relative to problem statistics, and are not a concern. An immediate benefit of using MCNP6.2 (rather than MCNP6.1) is that the new version is typically 1.5-2 times faster.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Reactor physics benchmark experiments at the JSI TRIGA MARK II reactor - Current status and future outlook

Full text of publication follows. With the development of new high-fidelity computational methods, improvement of nuclear data, and multiphysics modelling, there is an increased need for benchmark experiments to experimentally validate the models, methods and input data. Many of the nuclear facilities designed to perform reactor physics benchmark experiments have been shut down. Therefore, research reactors offer a great opportunity for benchmark experiments, if they are well designed and performed with great care and accuracy. In this presentation we provide an overview of the past and ongoing activities related to benchmark experiments at the Jozef Stefan Institute TRIGA Mark II research reactor. The following experiments have been performed: criticality with fresh fuel, {sup 197}Au(n,γ) and {sup 27}Al(n,α) reaction rates in irradiation channels, absolute and relative {sup 197}Au(n,γ), {sup 235}U(n,f) and {sup 238}U(n,f) reaction rates in the core, burnup, kinetic parameters, control rod worth, isothermal reactivity coefficient, self-shielding, slow and fast (pulse) transients, nuclear heating, delayed and prompt gamma ray production, temperature profiles for multi-physics. Since the existing fleet of research reactors is ageing very rapidly and new experiments are needed, new research reactors should be designed and built to meet the needs of future advanced reactors, education and training, and other technologies in the coming years. We will review planned activities at the JSI TRIGA reactors and plans for the new research reactor in Slovenia. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Cluster Dynamics Modeling Needs for the Advanced Materials and Manufacturing Technologies Program

This milestone report aims to identify and assess the cluster dynamics (CD) modeling requirements within the Department of Energy's Office of Nuclear Energy (DOE-NE) Advanced Materials and Manufacturing Technologies (AMMT) program and to communicate these needs to the DOE-NE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. The goal is to ensure NEAMS is well-informed about the CD modeling requirements to support AMMT's mission of accelerating the development, qualification, demonstration, and deployment of advanced structural materials and manufacturing for nuclear energy applications. CD modeling is an essential tool for predicting the degradation of structural materials under irradiation, which is a key component of AMMT's accelerated qualification process. The AMMT program focuses on both additively manufactured and wrought structural alloys, such as laser powder-bed fusion 316H austenitic stainless steel, alloy 709, Haynes 244, and alloy 617. These materials require a generalized CD modeling framework to facilitate rapid model development and computational simulation. A flexible, generalized CD software, similar to the Multiphysics Object-Oriented Simulation Environment (MOOSE) finite element framework, would enable modeling of various cluster types, including defect clusters, defect-solute clusters, and multicomponent clusters, incorporating thermodynamics and kinetics parameters. Radiation effects, microstructural feature evolution, and multi-dimensional modeling are critical considerations for the CD model. The usability of the CD code should allow for easy modification and coupling with MOOSE-based simulations. Additionally, the software should adhere to Nuclear Quality Assurance-1 standards, include a testing suite for verification and validation, and be version-controlled within a national laboratory-managed Git repository. Benchmark problems are needed to assess code predictions and performance.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Kinetics-Informed Neural Networks

Chemical kinetics and reaction engineering consists of the phenomenological framework for the disentanglement of reaction mechanisms, optimization of reaction performance and the rational design of chemical processes. Here, we utilize feed-forward artificial neural networks as basis functions to solve ordinary differential equations (ODEs) constrained by differential algebraic equations (DAEs) that describe microkinetic models (MKMs). We present an algebraic framework for the mathematical description and classification of reaction networks, types of elementary reaction, and chemical species. Under this framework, we demonstrate that the simultaneous training of neural nets and kinetic model parameters in a regularized multi-objective optimization setting leads to the solution of the inverse problem through the estimation of kinetic parameters from synthetic experimental data. We analyze a set of scenarios to establish the extent to which kinetic parameters can be retrieved from transient kinetic data, and assess the robustness of the methodology with respect to statistical noise. Furthermore, this approach to inverse kinetic ODEs can assist in the elucidation of reaction mechanisms based on transient data.

36 MATERIALS SCIENCE↗