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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.

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At least 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Modeling of Aircraft Measurements of Ice Crystal Concentration in the Arctic and a Parameterization for Mixed-Phase Cloud

Abstract In this study, two parameterizations of ice nucleation rate on dust particles are used in a parcel model to simulate aircraft measurements of ice crystal number concentration Ni in the Arctic. The parcel model has detailed microphysics for droplet and ice nucleation, growth, and evaporation with prescribed vertical air velocities. Three dynamic regimes are considered, including large-scale ascent, cloud-top generating cells, and their combination. With observed meteorological conditions and aerosol concentrations, the parcel model predicts the number concentrations of size-resolved ice crystals, which may be compared to aircraft measurements. Model results show rapid changes with height/time in relative humidity, Ni, and thermodynamic phase partitioning, which is not resolved in current climate and weather forecasting models. Parameterizations for ice number and nucleation rate in mixed-phase stratus clouds are thus developed based on the parcel model results to represent the time-integrated effect of some microphysical processes in large-scale models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

The development of yield-based sooting tendency measurements and modeling to enable advanced combustion fuels

This project produced clear evidence that biofuels can reduce particulate emissions from road vehicles compared with petroleum-derived fuels. It also produced fundamental knowledge that can be used to select fuel compositions and engine designs that will maximize this benefit. This information has been disseminated through more than 20 peer-reviewed publications, more than 30 conference presentations, and 5 freely available internet databases and web tools. This project also provided educational opportunities to 17 students at the high school, undergraduate, and graduate levels.

09 BIOMASS FUELS↗
DOE OSTI2022

The HUNTER Dynamic Human Reliability Analysis Tool: Development of a Module for Performance Shaping Factors

Human Unimodel for Nuclear Technology to Enhance Reliability (HUNTER) is a framework to support dynamic human reliability analysis (HRA) in communication with a variety of methods and tools. In this paper, how we have developed one of the HUNTER modules, the individual module for evaluating performance shaping factors (PSFs), is introduced. The PSF refers to any factor that influences human performance such as workload or complexity. It has been used for highlighting human errors and adjusting the error probabilities in the existing HRA. We consider the eight PSFs suggested in the Standardized Plant Analysis Risk-HRA (SPAR-H) method, which is the representative HRA method widely used in the nuclear field. To support our dynamic modeling using the eight SPAR-H PSFs, we reviewed human performance literature and developed data-based mathematical models to rate and quantify PSFs in the context of dynamic HRA. We also design the individual module composed of the two functions: 1) the PSF qualification function that automatically or manually evaluates a PSF level, and 2) the PSF quantification function that dynamically or statically determines the PSF multiplier values and integrate them to adjust human error probabilities (HEPs). How each function works with the SPAR-H PSFs and how the PSFs adjust the HEPs are investigated through literature and discussed in this paper.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

Molecular insights into the complex mechanics of plant epidermal cell walls

Computational analysis of cell walls Layers of intertwined fibers make up plant cell walls. The various types of fibers respond differently to deformation. Cellulose microfibrils, for example, can stretch or curve, changing their end-to-end length, and can also slide past each other, reorient relative directions, and bundle with neighboring microfibrils. Zhang et al. developed a computational model based on observations of onion skin epidermis that describes how these complex changes in space govern cell wall mechanics. The results inform ways to engineer multifunctional fibrous materials. Science , this issue p. 706

Science & Technology - Other Topics↗
DOE OSTI2018

DOE Final Report: A Unified Understanding of Residual Stress in Thin Films: Kinetic Models, Experiments and Simulations

Thin films are critical for a wide range of advanced technologies. However, the deposited films often have high levels of residual stress that can limit their performance or lead to failure. The stress is known to depend on many variables, including the processing conditions, type of material, deposition technique and the film’s microstructure. The goal of this DOE program was to develop a fundamental understanding of how the different processes that control thin film growth under different conditions can be related to the development of stress. In the program, systematic experiments were performed or analyzed that related the stress to the processing conditions that were used. Measurements of stress were obtained for films that were grown at different rates, different solutions (for electrodeposition), different particle energies (for sputter deposition) and different microstructures. Based on this data, models were developed to explain the observed dependence on the different parameters. The models were based on considering the balance among different stress-inducing mechanism occurring as the film grows (for both non-energetic and energetic deposition). Comparison of the model predictions with the experiments enabled the kinetic parameters to be determined for different materials. The resulting model equations provide a comprehensive picture of how stress changes with the processing conditions that can be used to optimize the growth of thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Multiple indicators, multiple causes measurement error models

Multiple indicators, multiple causes (MIMIC) models are often employed by researchers studying the effects of an unobservable latent variable on a set of outcomes, when causes of the latent variable are observed. There are times, however, when the causes of the latent variable are not observed because measurements of the causal variable are contaminated by measurement error. The objectives of this study are as follows: (i) to develop a novel model by extending the classical linear MIMIC model to allow both Berkson and classical measurement errors, defining the MIMIC measurement error (MIMIC ME) model; (ii) to develop likelihood-based estimation methods for the MIMIC ME model; and (iii) to apply the newly defined MIMIC ME model to atomic bomb survivor data to study the impact of dyslipidemia and radiation dose on the physical manifestations of dyslipidemia. Finally, as a by-product of our work, we also obtain a data-driven estimate of the variance of the classical measurement error associated with an estimate of the amount of radiation dose received by atomic bomb survivors at the time of their exposure.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Wetland Water Cooling Partnership: The Use of Constructed Wetlands to Enhance Thermoelectric Power Plant Cooling and Mitigate the Demand of Surface Water Use

Through the Phase I study segment of contract #DE-NT0006644 with the U.S. Department of Energy’s National Energy Technology Laboratory, Applied Ecological Services, Inc. and Sterling Energy Services, LLC (the AES/SES Team) explored the use of constructed wetlands to help address stresses on surface water and groundwater resources from thermoelectric power plant cooling and makeup water requirements. The project objectives were crafted to explore and develop implementable water conservation and cooling strategies using constructed wetlands (not existing, naturally occurring wetlands), with the goal of determining if this strategy has the potential to reduce surface water and groundwater withdrawals of thermoelectric power plants throughout the country. Our team’s exploratory work has documented what appears to be a significant and practical potential for augmenting power plant cooling water resources for makeup supply at many, but not all, thermoelectric power plant sites. The intent is to help alleviate stress on existing surface water and groundwater resources through harvesting, storing, polishing and beneficially re-using critical water resources. Through literature review, development of conceptual created wetland plans, and STELLA-based modeling, the AES/SES team has developed heat and water balances for conventional thermoelectric power plants to evaluate wetland size requirements, water use, and comparative cooling technology costs. The ecological literature on organism tolerances to heated waters was used to understand the range of ecological outcomes achievable in created wetlands. This study suggests that wetlands and water harvesting can provide a practical and cost-effective strategy to augment cooling waters for thermoelectric power plants in many geographic settings of the United States, particularly east of the 100th meridian, and in coastal and riverine locations. The study concluded that constructed wetlands can have significant positive ancillary socio-economic, ecosystem, and water treatment/polishing benefits when used to complement water resources at thermoelectric power plants. Through the Phase II pilot study segment of the contract, the project team partnered with Progress Energy Florida (now Duke Energy Florida) to quantify the wetland water cooling benefits at their Hines Energy Complex in Bartow, Florida. The project was designed to test the wetland’s ability to cool and cleanse power plant cooling pond water while providing wildlife habitat and water harvesting benefits. Data collected during the monitoring period was used to calibrate a STELLA model developed for the site. It was also used to inform management recommendations for the demonstration site, and to provide guidance on the use of cooling wetlands for other power plants around the country. As a part of the pilot study, Duke Energy is scaling up the demonstration project to a larger, commercial scale wetland instrumented with monitoring equipment. Construction is expected to be finalized in early 2014.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2017

Modeling cookoff of HMX based PBX explosives

We have previously developed a PBX 9501 cookoff model for the plastic bonded explosive PBX 9501 consisting of 95 wt% octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazoncine (HMX), 2.5 wt% Estane® 5703 (a polyurethane thermoplastic), and 2.5 wt% of a nitroplasticizer (NP): BDNPA/F, a 50/50 wt% eutectic mixture bis(2,2-dinitropropyl)-acetal (BDNPA) and bis(2,2-dinitropropyl)-formal (BDNPF). This fivestep model includes desorption of water, decomposition of the NP to form NO 2 , reaction of the NO 2 with Estane and HMX, and decomposition of HMX [1]. This model has been successfully validated with data from six laboratories with scales ranging from 2 g to more than 2.5 kg of explosive. We have determined, that the PBX 9501 model can be used to predict cookoff of other plastic bonded explosives containing HMX and an inert binder, such as LX-04 consisting of 85 wt% HMX and 15 wt% Viton A (vinylidine fluoride/hexafluoropropylene copolymer), LX-07 (90 wt% HMX and 10 wt% Viton A), LX- 10-0 (95 wt% HMX and 5 wt% Viton A), and LX-14 consisting of 95.5 wt % HMX and 4.5 wt% Estane® 5702-F1 (a polyurethane thermoplastic). Normally our cookoff models are verified using Sandia’s Instrumented Thermal Initiation (SITI) experiment. However, SITI data for LX-04, LX-07, LX-10-0, and LX-14 are not available at pressed density; although, some molding powder SITI data on LX-10-0 and LX-14 exists. Tarver and Tran [2] provide some one-dimensional time-to-explosion (ODTX) data for these explosives. The applicability of the PBX 9501 model to LX-04, LX-07, LX-10-0, AND LX-14 was made using this ODTX data [2]. The PBX 9501 model is applied to these other explosives by accounting for the correct amount of HMX in the explosive and limiting the NP reaction. We have found the PBX 9501 model to be useful for predicting the response of these PBXs to abnormal thermal environments such as fire.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2018

Dynamic Model of Basic Oxygen Steelmaking Process Based on Multi-zone Reaction Kinetics: Model Derivation and Validation

A multi-zone kinetic model coupled with a dynamic slag generation model was developed for the simulation of hot metal and slag composition during the basic oxygen furnace (BOF) operation. The three reaction zones (i) jet impact zone, (ii) slag–bulk metal zone, (iii) slag–metal–gas emulsion zone were considered for the calculation of overall refining kinetics. In the rate equations, the transient rate parameters were mathematically described as a function of process variables. A micro and macroscopic rate calculation methodology (micro-kinetics and macro-kinetics) were developed to estimate the total refining contributed by the recirculating metal droplets through the slag–metal emulsion zone. The micro-kinetics involves developing the rate equation for individual droplets in the emulsion. The mathematical models for the size distribution of initial droplets, kinetics of simultaneous refining of elements, the residence time in the emulsion, and dynamic interfacial area change were established in the micro-kinetic model. In the macro-kinetics calculation, a droplet generation model was employed and the total amount of refining by emulsion was calculated by summing the refining from the entire population of returning droplets. A dynamic Fe{sub t}O generation model based on oxygen mass balance was developed and coupled with the multi-zone kinetic model. The effect of post-combustion on the evolution of slag and metal composition was investigated. The model was applied to a 200-ton top blowing converter and the simulated value of metal and slag was found to be in good agreement with the measured data. The post-combustion ratio was found to be an important factor in controlling Fe{sub t}O content in the slag and the kinetics of Mn and P in a BOF process.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Connected Vehicle-Based Traffic Signal Coordination

This study presents a connected vehicles (CVs)-based traffic signal optimization framework for a coordinated arterial corridor. The signal optimization and coordination problem are first formulated in a centralized scheme as a mixed-integer nonlinear program (MINLP). The optimal phase durations and offsets are solved together by minimizing fuel consumption and travel time considering an individual vehicle’s trajectories. Due to the complexity of the model, we decompose the problem into two levels: an intersection level to optimize phase durations using dynamic programming (DP), and a corridor level to optimize the offsets of all intersections. In order to solve the two-level model, a prediction-based solution technique is developed. The proposed models are tested using traffic simulation under various scenarios. Compared with the traditional actuated signal timing and coordination plan, the signal timing plans generated by solving the MINLP and the two-level model can reasonably improve the signal control performance. When considering varies vehicle types under high demand levels, the proposed two-level model reduced the total system cost by 3.8% comparing to baseline actuated plan. MINLP reduced the system cost by 5.9%. It also suggested that coordination scheme was beneficial to corridors with relatively high demand levels. For intersections with major and minor street, coordination conducted for major street had little impacts on the vehicles at the minor street.

42 ENGINEERING↗
DOE OSTI2023

Bucket Loading Trajectory Optimization for the Automated Wheel Loader

The bucket motion of a wheel loader during the loading process is investigated in this study. The optimal bucket loading trajectory can be obtained by solving an optimal control problem with the performance criteria of the fill factor , fuel efficiency and operation cycle time . A control-oriented model for the bucket loading operation is developed. Based on the control-oriented model, the bucket loading process is formulated as an optimal control problem with physical constraints. An open-source optimization solver, OpenOCL, is used to solve this problem. The simulation results show that the proposed method is effective in generating the optimal trajectory with significantly increased energy efficiency and productivity. Furthermore, this optimal trajectory can be employed as a reference for an automated wheel loader or as a driver advisory for a human operated wheel loader.

42 ENGINEERING↗
DOE OSTI2017

Novel Gamma Attenuation Methods Utilized for Waste Characterization of UO{sub 2}F{sub 2}-Bearing Materials at the Paducah GDP - 17327

The Paducah Gaseous Diffusion Plant (PGDP) is currently under deactivation with demolition in the decades to follow. UO{sub 2}F{sub 2}-bearing waste is generated at PGDP by UF{sub 6} hydrolysing to materials such as pipes, valves, PPE, etc. when UF{sub 6} is exposed to humid air. In addition, Al{sub 2}O{sub 3} and NaF trap materials contain significant amounts of Uranium. The UO{sub 2}F{sub 2} deposits within the generated waste can be of sub-gram levels to several hundreds of localized grams and are much denser than the surrounding interfering matrix materials and may be of very complex geometric and chemical forms such as with the Al{sub 2}O{sub 3} and NaF trap materials. The main objective is to characterize the fissile (U-235) content of the UO{sub 2}F{sub 2}-bearing waste so as to meet the Data Quality Objectives (DQO) for proper disposal. If a waste container cannot meet the DQO then it must be subjected to costly remediation, repackaging and re-characterization processes. We have developed, at PGDP, several novel model-based methods and techniques that vastly improve the standard gamma attenuation correction methods and do not require Working Reference Materials (WRM) for calibration. These new methods involve rotating and non-rotating 18.9 liter (5 U.S. gallon) waste containers with and without a transmission modality. A new model-based variant of differential attenuation has been developed that provides a high-quality self-absorption correction that does not require knowledge of the Uranium enrichment or isotopic ratios. For more challenging waste containers, a method using multi-view (non-rotating) 18.9 liter waste containers has been considered using a recently developed Advanced ISOCS{sup C} Uncertainty Estimator (AIUE) package. The new methods suffice to significantly improve accuracy and precision and to lower the Total Measurement Uncertainty (TMU) leading to satisfactory DQO's that were not previously achievable using the standard gamma attenuation correction methods. In this paper we present real 18.9 liter waste container and Working Reference Material (WRM) data subjected to the new methods and compared to standard methods depicting the significant improvement in the DQO that is realized. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Integral Solution of Two-Region Solid–Liquid Phase Change in Annular Geometries and Application to Phase Change Materials–Air Heat Exchangers

A mathematical model based on the integral method is developed to solve the problem of conduction-controlled solid–liquid phase change in annular geometries with temperature gradients in both phases. The inner and outer boundaries of the annulus were subject to convective, constant temperature or adiabatic boundary conditions. The developed model was validated by comparison with control volume-based computational results using the temperature-transforming phase change model, and an excellent agreement was achieved. The model was used to conduct parametric studies on the effect of annuli geometry, thermophysical properties of the phase change materials (PCM), and thermal boundary conditions on the dynamics of phase change. For an initially liquid PCM, it was found that increasing the radii ratio increased the total solidification time. Also, increasing the Biot number at the cooled (heated) boundary and Stefan number of the solid (liquid) PCM, decreased (increased) the solidification time and resulted in a greater (smaller) solid volume fraction at steady state. The application of the developed method was demonstrated by design and analysis of a PCM–air heat exchanger for HVAC systems. The model can also be easily employed for design and optimization of annular PCM systems for all associated applications in a fraction of time needed for computational simulations.

Shabgard, Hamidreza↗
DOE OSTI2022

The HUNTER Dynamic Human Reliability Analysis Tool: Development of a Module for Performance Shaping Factors

The Human Unimodel for Nuclear Technology to Enhance Reliability (HUNTER) is a framework to support dynamic human reliability analysis (HRA) in communication with a variety of methods and tools. This paper explores how we developed one of the HUNTER modules: namely, the Individual module for evaluating performance shaping factors (PSFs). A PSF is any factor that influences human performance (e.g., workload or complexity). In the existing HRA, they are used to highlight human errors and adjust error probabilities. We consider the eight PSFs suggested in the Standardized Plant Analysis Risk-HRA (SPAR-H) method, a representative HRA method widely used in the nuclear field. To support our dynamic modeling using the eight SPAR-H PSFs, we reviewed the human performance literature and developed data-based mathematical models to rate and quantify PSFs in the context of dynamic HRA. We also designed the Individual module to consist of two functions: (1) the PSF qualification function for automatically or manually evaluating PSF levels, and (2) the PSF quantification function for dynamically or statically determining PSF multiplier values and integrating them to adjust human error probabilities (HEPs). How each function works in regard to the SPAR-H PSFs, and how the PSFs serve to adjust the HEPs, were investigated via literature review and are discussed in this paper.

99 GENERAL AND MISCELLANEOUS↗