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At least 847 records · Page 47

Tapsolver: A Python Package For The Simulation And Analysis Of Tap Reactor Experiments

TAPsolver is a python package, which automates TAP simulation and analysis routines. TAPsolver is built around the python packages FEniCS and Dolfin-Adjoint, which help take advantage of model adjoints to provide automatic derivatives. TAPsolver is flexible, with reaction mechanisms and rate constants that can be set through input files that allow users to take advantage of the different functionalities, which include sensitivity analyses, parameter optimization and uncertainty quantification.

Yonge, Adam↗

System Advisor Model (SAM) General Description (Version 2017.9.5)

This document describes the capabilities of the System Advisor Model (SAM) developed and distributed by the U.S. Department of Energy's National Renewable Energy Laboratory. The document is for potential users and others wanting to learn about the model's capabilities. SAM is a techno-economic computer model that calculates performance and financial metrics of renewable energy projects. Project developers, policy makers, equipment manufacturers, and researchers use graphs and tables of SAM results in the process of evaluating financial, technology, and incentive options for renewable energy projects. SAM simulates the performance of photovoltaic, concentrating solar power, solar water heating, wind, geothermal, biomass, and conventional power systems. The financial models are for projects that either buy and sell electricity at retail rates (residential and commercial) or sell electricity at a price determined in a power purchase agreement (PPA). SAM's simulation tools facilitate parametric and sensitivity analyses, Monte Carlo simulation and weather variability (P50/P90) studies. SAM can also read input variables from Microsoft Excel worksheets. For software developers, the SAM software development kit (SDK) makes it possible to use SAM simulation modules in their applications written in C/C plus plus, C sharp, Java, Python, MATLAB, and other languages. NREL provides both SAM and the SDK as free downloads at https://sam.nrel.gov. SAM is an open source project, so its source code is available to the public. Researchers can study the code to understand the model algorithms, and software programmers can contribute their own models and enhancements to the project. Technical support and more information about the software are available on the website.

47 OTHER INSTRUMENTATION↗

HPE ultralit project (ARPA-E open program 2018) final report 15

The goal of the program was to build a fully integrated optical transceiver with >1 Tb/s and <1.5 pJ/bit operating at 50 ◦ C. Optical transceivers are critical components in high-performance-computers (HPC) and data centers, and the details of their implementation has a big impact on the total power consumption (energy efficiency) of an HPC system. Our proposed transceiver used three key enabling technologies. Firstly, SiGe avalanche photodetectors have record-low sensitivities, meaning that they can reach low bit error rates with very little light input. As a result, we can drive our lasers at a lower drive current, thus saving electrical power. Secondly, we use MOS-based capacitive tuning in our deinterleaver, modulator, and demultiplexer. Capacitive tuning allows for the tuning of photonic elements with zero static power consumption. Thirdly, we use quantum dots as the gain material in our light source. This allows us to efficiently use our light source at temperatures that are typically encountered in an HPCsystem. Our proposed optical transceiver consisted of a quantum dot comb laser as a light source, a booster SOA, MOS-based deinterleavers, MOS based ring modulators, MOS-based ring demultiplexers, and SiGe APDs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Phase Field Simulations of Microstructure Evolution in IN718 using a Surrogate Ni–Fe–Nb Alloy during Laser Powder Bed Fusion

The solidification microstructure in IN718 during additive manufacturing was modeled using phase field simulations. The novelty of the research includes the use of a surrogate Ni–Fe–Nb alloy that has the same equilibrium solidification range as IN718 as the model system for phase field simulations, the integration of the model alloy thermodynamics with the phase field simulations, and the use of high-performance computing tools to perform the simulations with a high enough spatial resolution for realistically capturing the dendrite morphology and the level of microsegregation seen under additive manufacturing conditions. Heat transfer and fluid flow models were used to compute the steady state temperature gradient and an average value of the solid-liquid (s-l) interface velocity that were used as input for the phase field simulations. The simulations show that the solidification morphology is sensitive to the spacing between the columnar structures. Spacing narrower than a critical value results in continued growth of a columnar microstructure, while above a critical value the columnar structure evolves into a columnar dendritic structure through the formation of secondary arms. These results are discussed in terms of the existing columnar to dendritic transition (CDT) theories. The measured interdendritic Nb concentration, the primary and secondary arm spacing is in reasonable agreement with experimental measurements performed on the nickel-base superalloy IN718.

36 MATERIALS SCIENCE↗

Description of CASCOMP Comprehensive Airship Sizing and Performance Computer Program, Volume 2

The computer program CASCOMP, which may be used in comparative design studies of lighter than air vehicles by rapidly providing airship size and mission performance data, was prepared and documented. The program can be used to define design requirements such as weight breakdown, required propulsive power, and physical dimensions of airships which are designed to meet specified mission requirements. The program is also useful in sensitivity studies involving both design trade-offs and performance trade-offs. The input to the program primarily consists of a series of single point values such as hull overall fineness ratio, number of engines, airship hull and empennage drag coefficients, description of the mission profile, and weights of fixed equipment, fixed useful load and payload. In order to minimize computation time, the program makes ample use of optional computation paths.

Davis, J.↗

Space system operations and support cost analysis using Markov chains

This paper evaluates the use of Markov chain process in probabilistic life cycle cost analysis and suggests further uses of the process as a design aid tool. A methodology is developed for estimating operations and support cost and expected life for reusable space transportation systems. Application of the methodology is demonstrated for the case of a hypothetical space transportation vehicle. A sensitivity analysis is carried out to explore the effects of uncertainty in key model inputs.

Unal, Resit↗

Noncontact charge measurement

A method for noncontact charge measurements is presented, which uses a system based on the reciprocal motion principle of a grounded conductor near a point charge. The system exhibits extremely good linearity with respect to the input electric field and has a resolution of greater than 10 V/m. The high sensitivity of the apparatus makes the system feasible for use at a safe distance in various applications for monitoring static charge.

Lin, Kuan-Chan↗

Ocean Primary Production Estimates from Terra MODIS and Their Dependency on Satellite Chlorophyll Alpha Algorithms

Simplistic models relating global satellite ocean color, temperature, and light to ocean net primary production (ONPP) are sensitive to the accuracy and limitations of the satellite estimate of chlorophyll and other input fields, as well as the primary productivity model. The standard MODIS ONPP product uses the new semi-analytic chlorophyll algorithm as its input for two ONPP indexes. The three primary MODIS chlorophyll Q estimates from MODIS, as well as the SeaWiFS 4 chlorophyll product, were used to assess global and regional performance in estimating ONPP for the full mission, but concentrating on 2001. The two standard ONPP algorithms were examined with 8-day and 39 kilometer resolution to quantify chlorophyll algorithm dependency of ONPP. Ancillary data (MLD from FNMOC, MODIS SSTD1, and PAR from the GSFC DAO) were identical. The standard MODIS ONPP estimates for annual production in 2001 was 59 and 58 GT C for the two ONPP algorithms. Differences in ONPP using alternate chlorophylls were on the order of 10% for global annual ONPP, but ranged to 100% regionally. On all scales the differences in ONPP were smaller between MODIS and SeaWiFS than between ONPP models, or among chlorophyll algorithms within MODIS. Largest regional ONPP differences were found in the Southern Ocean (SO). In the SO, application of the semi-analytic chlorophyll resulted in not only a magnitude difference in ONPP (2x), but also a temporal shift in the time of maximum production compared to empirical algorithms when summed over standard oceanic areas. The resulting increase in global ONPP (6-7 GT) is supported by better performance of the semi-analytic chlorophyll in the SO and other high chlorophyll regions. The differences are significant in terms of understanding regional differences and dynamics of ocean carbon transformations.

Essias, Wayne E.↗

Analyses of Longitudinal Mode Combustion Instability in J-2X Gas Generator Development

The National Aeronautics and Space Administration (NASA) and Pratt & Whitney Rocketdyne are developing a liquid oxygen/liquid hydrogen rocket engine for future upper stage and trans-lunar applications. This engine, designated the J-2X, is a higher pressure, higher thrust variant of the Apollo-era J-2 engine. The contract for development was let to Pratt & Whitney Rocketdyne in 2006. Over the past several years, development of the gas generator for the J-2X engine has progressed through a variety of workhorse injector, chamber, and feed system configurations on the component test stand at the NASA Marshall Space Flight Center (MSFC). Several of the initial configurations resulted in combustion instability of the workhorse gas generator assembly at a frequency near the first longitudinal mode of the combustion chamber. In this paper, several aspects of these combustion instabilities are discussed, including injector, combustion chamber, feed system, and nozzle influences. To ensure elimination of the instabilities at the engine level, and to understand the stability margin, the gas generator system has been modeled at the NASA MSFC with two techniques, the Rocket Combustor Interaction Design and Analysis (ROCCID) code and a lumped-parameter MATLAB(TradeMark) model created as an alternative calculation to the ROCCID methodology. To correctly predict the instability characteristics of all the chamber and injector geometries and test conditions as a whole, several inputs to the submodels in ROCCID and the MATLAB(TradeMark) model were modified. Extensive sensitivity calculations were conducted to determine how to model and anchor a lumped-parameter injector response, and finite-element and acoustic analyses were conducted on several complicated combustion chamber geometries to determine how to model and anchor the chamber response. These modifications and their ramification for future stability analyses of this type are discussed.

Hulka, J. R.↗

Completing the Feedback Loop: The Impact of Chlorophyll Data Assimilation on the Ocean State

In anticipation of the integration of a full biochemical model into the next generation GMAO coupled system, an intermediate solution has been implemented to estimate the penetration depth (1Kd_PAR) of ocean radiation based on the chlorophyll concentration. The chlorophyll is modeled as a tracer with sources-sinks coming from the assimilation of MODIS chlorophyll data. Two experiments were conducted with the coupled ocean-atmosphere model. In the first, climatological values of Kpar were used. In the second, retrieved daily chlorophyll concentrations were assimilated and Kd_PAR was derived according to Morel et al (2007). No other data was assimilated to isolate the effects of the time-evolving chlorophyll field. The daily MODIS Kd_PAR product was used to validate the skill of the penetration depth estimation and the MERRA-OCEAN re-analysis was used as a benchmark to study the sensitivity of the upper ocean heat content and vertical temperature distribution to the chlorophyll input. In the experiment with daily chlorophyll data assimilation, the penetration depth was estimated more accurately, especially in the tropics. As a result, the temperature bias of the model was reduced. A notably robust albeit small (2-5 percent) improvement was found across the equatorial Pacific ocean, which is a critical region for seasonal to inter-annual prediction.

MERRA-OCEAN↗

Contribution of Sub-Mesoscales to the Vertical Velocity: The Omega-Equation

The oceans ability to regulate carbon dioxide depends on biogeochemical processes that are influenced strongly by eddies. Eddy-resolving simulations have shown that sub-mesoscales (SM) (110 km) generate the highest magnitude vertical velocity and that mesoscales (M) also enhance their contribution to the vertical velocity but to a lesser extent. In this study, we consider the question: can analogous results be obtained using the less numerically demanding -equation? Previously, this question has not been answered because of two reasons: 1) the canonical Hoskins form of the - equation does not include the buoyancy vertical fluxes caused by M and SM; and 2) Giordani et al. (2016) showed how to include an arbitrary vertical buoyancy flux, but no parameterizations were available for the M and SM vertical fluxes. How- ever, the latter are now available together with their assessments, so we consider SM because they make the largest contribution to the vertical velocity. The resulting vertical velocity depends on the extent of the SM regime, the horizontal buoyancy gradient (representing baroclinic instabilities), and the SM eddy kinetic energy. The vertical velocity depends in a linear manner on the wind stress and it may exhibit seasonal variations. The wind stress has two effects on the -equation: indirectly via its contribution to the sub-mesoscale buoyancy flux and directly through the wind stress itself. The results of our sensitivity analysis highlight the range of SM-induced vertical velocities obtained using different input data.

oceans↗

Thermal Modeling of a Novel Air-Cooled Temperature Swing Adsorption Compressor (AC-TSAC)

Contaminant removal technology, such as the Carbon Dioxide Removal Assembly (CDRA) on the International Space Station (ISS), is critical to Environmental Close-Loop Life Support Systems (ECLSS), which enable humans to live and work in outer space. The CDRA includes an adsorbent bed, which absorbs CO2 and releases it to a Sabatier reactor for water production when thermally cycled. An effective system would heat and cool the adsorbent quickly and uniformly to maximize the amount of CO2 removed from the cabin. Air-Cooled Temperature Swing Adsorption Compressors (AC-TSAC) are promising because they are a simple alternative to more mechanically-complex compressors currently used on the ISS. The current investigation addresses the thermal modeling of potential AC-TSAC designs. Design trades include bed geometry (rectangular vs. cylindrical), bed structural material, and configuration of heat pipes within the bed. Also investigated is AC-TSAC performance sensitivity to the thermal conductivity of the adsorbent material and the heat pipes, the input power for heating, and various heat loss mechanisms. The results from these studies will inform the design of the next generation of the AC-TSAC, and the thermal modeling results will be validated through testing.

Hannah Alpert↗

UNCERTAINTY QUANTIFICATION OF CALCULATED FUEL TEMPERATURE FOR AGR-3/4 IRRADIATION EXPERIMENT

The third in a series of Advanced Gas Reactor (AGR) experiments conducted at the Idaho National Laboratory, AGR-3/4, was completed in April 2014, resulting in irradiation of the tristructural isotropic fuel for 369 effective full power days. A number of designed-to-fail fuel particles were embedded along the central line of each irradiated compact to provide a known source of fission products for subsequent transport through the compact matrix and structural graphite materials. The fuel temperature in each capsule during irradiation, a significant factor in the release and transport of fission products, was maintained within a predefined range representative of a high temperature gas reactor. Fuel temperatures were not measured directly because contact between a thermocouple and the fuel could lead to unwanted particle failures. An ABAQUS-based finite element heat transfer code, calibrated based on temperatures measured in the surrounding graphite rings, was used to predict fuel temperatures during irradiation. To quantify the uncertainty of calculated fuel temperatures, thermal model parameters with high sensitivity and/or large uncertainty were identified. Propagation of model parameter uncertainty and sensitivity is then used to quantify the overall uncertainty of calculated temperatures. Quantification of input uncertainties over the extended irradiation period of the AGR-3/4 experiment is a challenging task due to changes in capsule thermal properties and geometry caused by exposure to neutron irradiation at high temperatures. In the absence of direct measurements or complete knowledge about these changes, inputs to thermal model and associated uncertainties are estimated based on modeling assumptions and expert judgment. Unplanned events that occurred during irradiation contribute to input uncertainties as well. For example, shrinkage of fuel compact and graphite rings led to significant increase in the gap size uncertainties. This paper focuses on uncertainty quantification of calculated fuel temperature for AGR-3/4 capsule thermal models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Sensitivity and Uncertainty Quantification of Transition Scenario Simulations

This report documents the first collective attempt at developing and applying capabilities to quantify uncertainties, assess parametric sensitivities, and optimize multiple parameters and metrics in fuel cycle simulations generated by the SA&I Campaign. To do this, external codes that were designed to perform sensitivity analysis and uncertainty quantification (SA&UQ) needed to be coupled to the SA&I Campaign’s nuclear fuel cycle simulators (NFCS). In FY20, two approaches were pursued: 1) coupling Cyclus to an ORNL-internal code called MOT (Metaheuristic Optimization Tool) and 2) coupling DYMOND to the opensource SA&UQ tool kit Dakota. The primary objective of having these NFCS/SA&UQ coupled capabilities is to better inform DOE-NE and other stakeholders on the results generated from the NFCS. For a given set of fuel cycle strategies, policies, and technology assumptions that make up a fuel cycle scenario, these NFCS have traditionally been used by the SA&I Campaign to provide quantitative answers in terms of year-by-year mass flows, infrastructure requirements, costs, etc. With these newly developed coupled capabilities, the SA&I Campaign can now efficiently simulate hundreds or thousands of these scenarios, sample large ranges of parameters and assumptions, and use the unique features of the SA&UQ tools to process the data. This enables providing answers with known and propagated uncertainties, determining the sensitivity of important metrics to different parameters and assumptions, quantifying how much fuel cycle and technology parameters impact each other, and producing optimized fuel cycle strategies for single and multiple variables. To demonstrate these new capabilities, the Cyclus/MOT was used to model several scenarios ranging from simple fleet retirements to transitions to advanced reactors. Specifically, for a transition scenario from LWRs to SFRs and advanced LWRs, uncertainty quantification, sensitivity analysis, and optimization studies were applied to cases involving single and multiple parameter (input) and single and multiple metric (output) variations. In addition, a similar transition scenario was modeled to demonstrate how to optimize the reprocessing capacity parameter to minimize two performance metrics while taking into account uncertainties from two other parameters. Lastly, a depletion module based on SCALE/ORIGEN was added in Cyclus to simulate the third scenario that was designed to quantify the impact of the modeling assumption that all LWR used nuclear fuel have the same burnup. The newly developed DYMOND/Dakota capability was also applied to a transition scenario from the existing fleet to small modular reactors and fast reactors. This particular scenario involves not only explicit isotopic depletion via ORIGEN-2, but also includes multirecycling and utilizing the criticality search feature to determine the fresh fuel composition of recycled fuel, a feature unique to the DYMOND NFCS. A large database of simulations were run with 4 main parameters that were sampled: start date of reprocessing, reprocessing capacity, energy demand growth rate, and advanced reactor share of the fleet. The 4 main metrics were uranium consumption, enrichment requirements, waste generation, and levelized cost of electricity using data from the Cost Basis Report. The demonstrated SA&UQ results include those that inform on how to choose parameters to avoid “failed” scenarios, Sobol’ indices that inform on the importance of various parameters individually and synergistically, and Analysis of Variance (ANOVA) studies that decompose parameter ranges into groups and informs on whether variations are statistically significant.

Feng, B.↗

Validating Mixtures of 233 U, 235 U, and 239 Pu for the Sum-of-Fractions Method

The Sum-of-Fractions method is a technique used to assure that homogeneous mixtures of fissile and fissionable isotopes are below a minimum margin of k eff or reactivity. Current work by Pacific Northwest National Laboratory examines different mixtures of 233 U, 235 U, and 239 Pu to determine critical mass limits for mixtures of transuranic actinides lacking a validation basis. To provide a validation basis for these limits, the work presented here describes the results of a sensitivity and uncertainty analysis of various mixtures of these isotopes in various concentrations moderated and reflected by light water and polyethylene. The TSUNAMI-1D sequence in the SCALE code system was used to generate sensitivity coefficients for three different concentrations of mixtures of 233 U, 235 U, and 239 Pu. The TSUNAMI-IP sequence was then used for similarity assessment (c k ) with critical benchmark experiment sensitivity data files (SDFs) from the Oak Ridge National Laboratory Verified, Archived Library of Inputs and Data and the Nuclear Energy Agency SDF database. The VADER sequence in SCALE was used for statistical testing and to generate upper subcritical limits from the data to develop a basis for validating critical mass limits.

07 ISOTOPE AND RADIATION SOURCES↗

Tapsolver: A Python Package For The Simulation And Analysis Of Tap Reactor Experiments

TAPsolver is a python package, which automates TAP simulation and analysis routines. TAPsolver is built around the python packages FEniCS and Dolfin-Adjoint, which help take advantage of model adjoints to provide automatic derivatives. TAPsolver is flexible, with reaction mechanisms and rate constants that can be set through input files that allow users to take advantage of the different functionalities, which include sensitivity analyses, parameter optimization and uncertainty quantification.

Kunz, MatthewR.↗

Improved Modeling of Waste Isolation Pilot Plant Disposal Room Porosity

Disposal rooms at the Waste Isolation Pilot Plant (WIPP) contain waste and gas, and their porosity evolves over time. This report presents several improvements to the disposal room porosity model and presents new porosity predictions for use in future WIPP Performance Assessment activities. The improvements pertain to three sub-models: the geomechanical model, the waste compaction model, and the gas pressurization model. The impacts of each major improvement were quantified and the new porosity predictions were shown to be both mesh and domain size converged. Also, sensitivity studies on the disposal room horizon, clay seam friction coefficients, and homogenized waste representation were performed to support assumptions in the disposal room porosity model. To compare the legacy and new porosity predictions, the simulation results were plotted as a response surface, where gas pressure and time are inputs and porosity is the output. The new porosity response surface is insensitive to pressures beneath lithostatic pressure and highly sensitive to pressures above lithostatic pressure. The legacy porosity response surface, on the other hand, has moderate porosity gradients over all pressures. The new porosity response surface has a stronger scientific foundation than the legacy surface and may now be used for Compliance Decision Analyses.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Silicon on-chip bandpass filters for the multiplexing of high sensitivity photonic crystal microcavity biosensors

A method for the dense integration of high sensitivity photonic crystal (PC) waveguide based biosensors is proposed and experimentally demonstrated on a silicon platform. By connecting an additional PC waveguide filter to a PC microcavity sensor in series, a transmission passband is created, containing the resonances of the PC microcavity for sensing purpose. With proper engineering of the passband, multiple high sensitivity PC microcavity sensors can be integrated into microarrays and be interrogated simultaneously between a single input and a single output port. The concept was demonstrated with a 2-channel L55 PC biosensor array containing PC waveguide filters. The experiment showed that the sensors on both channels can be monitored simultaneously from a single output spectrum. Less than 3 dB extra loss for the additional PC waveguide filter is observed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗