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At least 451 records · Page 25

Results from Phase 5 Study on Nepheline Formation in High-Level Waste Glasses Containing High Concentrations of Alumina

Hanford high-level waste (HLW) contains relatively high concentrations of Al 2 O 3 . A major constraint limiting the waste loading of high-Al 2 O 3 glasses is nepheline (nominally NaAlSiO 4 ) formation upon slow cooling of HLW glasses after melts are poured into steel canisters. The model currently planned to be used at the Hanford Tank Waste Treatment and Immobilization Plant (WTP) for avoiding nepheline formation is too conservative and drastically limits waste loading. To increase loadings of high-Al 2 O 3 waste at the WTP, the effects of glass composition on glass properties must be determined and glass property-composition models must be developed. Determining the impacts of glass composition on nepheline formation and the effects of nepheline on Product Consistency Test (PCT) response is an important part of this effort.

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Load Composition Analysis in Support of the NERC Load Modeling Task Force. 2019-2020 Field Test of the Composite Load Model

In 2015, NERC’s reliability standards were revised to require the use of dynamic load models in transmission planning studies. To comply with the standards, planners must use load models that explicitly represent the dynamic behavior of the different constituents of load at each load bus within their transmission planning models. The most important of these constituents are motor-driven and power electronics-based loads. Collectively, these representations are known as composite load models. In anticipation of the compliance date for the new standards, NERC’s Load Modeling Task Force (LMTF), in 2019, initiated a field test of composite load models involving the regional reliability planning entities. In support of the field test, DOE and BPA researchers developed region-specific composite load models that could be assigned to each non-industrial load bus in the planning models for each of the North American interconnections. Separate models were developed for each hour of a summer peak day, a winter peak day, and a spring light-load day. This report is the technical documentation for the load composition analysis that was conducted to develop these non-industrial composite load models.

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Modeling household-level party composition behavior for multiparty activities: a random parameter nested logit modeling approach

This study presents findings of a household-level party composition model for multiparty activities. It exploits data from a comprehensive Household Travel Survey conducted by Chicago Metropolitan Agency of Planning. The study estimates a random parameter nested logit model to capture households’ unobserved preference heterogeneity and non-proportional substitution patterns in terms of activity party composition for multiparty activities. A wide variety of household demographics, activity attributes and residential neighborhood characteristics are examined in this paper. The magnitude of the impacts of the determinants are tested in this study by analyzing the elasticity of the variables, which suggests that household demographics and attributes of the multiparty activities have significant effects on the household-level activity party composition. Residential neighborhood characteristics, although somewhat less impactful, still play a meaningful role. This model will be implemented within the POLARIS transportation systems simulator to improve the activity generation modeling workflow, and the prediction accuracy of various activity-travel components.

activity party composition↗

An assessment model for atmospheric composition

Predicting future perturbations to global air quality and climate requires, as a prerequisite, prognostic models for the composition of the Earth's atmosphere. Such assessment models are needed to evaluate the impact on our environment of different social choices that affect emissions of the photochemically and radiatively important trace gases. Our presentation here of a prototype assessment model is intended to encourage public scientific discussions of the necessary components of the model and their interactions, with the recognition that models similar to this will likely be used by the Environmental Protection Agency and other regulatory agencies in order to assess the effect of changes in atmospheric composition on climate over the next century.

Prather, Michael J.↗

Predictive Contaminant Transport Simulation with P2R Model for the Composite Analysis Limited Source Sensitivity Case.

The Plateau to River (P2R) is a groundwater flow and contaminant fate and transport (F&T) simulation model used to support remedial activities conducted by the Central Plateau Cleanup Company at the Hanford Site in Washington State. Figure 1 illustrates the P2R Model extents, discretization, and boundary conditions. The P2R Model is utilized in the Composite Analysis (CA) for the Hanford Site as the computational engine for computing F&T predictions as described in CP-60406, Hanford Site Composite Analysis Technical Approach Description: Groundwater. The model simulates contaminants of concern within the saturated zone of the uppermost aquifer beneath the Central Plateau and downgradient to the Columbia River. CP-57037, Model Package Report for the Plateau to River Model Version 8.3 documents the current version of the P2R Model including a description of the conceptual site model, model development and calibration, and limitations to the model application. Simulations conducted to support the dose calculations required by the CA are documented in ECF-HANFORD-19-0119, Predictive Flow Simulation with the P2R Model for the Composite Analysis Base Case and ECF-HANFORD-19-0120, Contaminant Transport Simulation with the P2R Model for the Composite Analysis Base Case.

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Evaluation of the rheological and electrical percolation of high‐density polyethylene/carbon black composites using mathematical models

Abstract In this work, conductive polymer composites (CPCs) of bio‐based polyethylene (BioPe) containing different concentrations of carbon black (CB) were developed. By using oscillatory rheology analysis, a Newtonian plateau was observed in BioPe, and all BioPe/CB composites had a behavior of a pseudo‐solid and that composites with volume fractions ranging from 0.24 to 0.56 presented higher viscosity, storage, and loss modulus. This suggests the formation of a percolated network and by using the power‐law models, it was observed that the electrical percolation threshold was higher than the rheological percolation threshold. The electrical conductivity was measured using the four‐point probe method and a sigmoid model was used to predict the CPCs' electrical conductivity percolation threshold. The results indicated that the four‐point probe method presented satisfactory results according to the calculated standard deviations and voltage–current characteristics for each round of measurements considering the same ranging as used in rheology analysis. The analytical model used showed a coefficient of determination ( R 2 ) higher than 95%, allowing the prediction of the electrical conductivity of the CPC and the percolation threshold as a function of the volumetric fraction of the CB.

da SiIva, Moacy P.↗

Safe and Optimal Techniques Enabling Recovery, Integrity, and Assurance

There is a trend in the aviation industry to go from federated to integrated computing systems. Combining a number of traditional stand-alone federated systems into an integrated common platform (called Integrated Modular Avionics, IMA) has the benefit of increased power efficiency, reduced support hardware, and reduced cabling. However, changing from federated to integrated has a significant impact on the system architecture and hence the process of how avionic systems are to be analyzed. Traditional approaches to safety analysis become inefficient when functional boundaries can no longer be assumed for failure independence and fault isolation. In this report, we describe a tool that we developed to accelerate the safety engineer's ability to perform safety analysis of IMA systems through modeling, as well as optimize the system engineer's ability to develop a system through architecture synthesis. This work was the result of a three-year research effort called SOTERIA (Safe and Optimal Techniques Enabling Recovery, Integrity, and Assurance). We developed a compositional modeling language that supports rapid development, modification, and evaluation of architectures. The modeling language is structured such that the end-user defines a library of components with information on component reliability, connectivity, and fault propagation logic. The system model is built by instantiating the components from the library, connecting the components, and identifying the top-level faults of interest. Our tool is compositional in that the end-user only needs to define safety aspects at the component level. The tool takes the model and automatically synthesizes both the qualitative and quantitative safety analyses. We go further by allowing users to describe system information such as components to use in an architecture and their connection compatibility and automatically synthesize an architecture that meets the top-level probability target adhering to end-user specified constraints. This capability allows users to rapidly explore a design space..

Siu, Kit Y.↗

Development of models for predicting Torsade de Pointes cardiac arrhythmias using perceptron neural networks

Background: Blockage of some ion channels and in particular, the hERG (human Ether-a’-go-go-Related Gene) cardiac potassium channel delays cardiac repolarization and can induce arrhythmia. In some cases it leads to a potentially life-threatening arrhythmia known as Torsade de Pointes (TdP). Therefore recognizing drugs with TdP risk is essential. Candidate drugs that are determined not to cause cardiac ion channel blockage are more likely to pass successfully through clinical phases II and III trials (and preclinical work) and not be withdrawn even later from the marketplace due to cardiotoxic effects. The objective of the present study is to develop an SAR (Structure-Activity Relationship) model that can be used as an early screen for torsadogenic (causing TdP arrhythmias) potential in drug candidates. The method is performed using descriptors comprised of atomic NMR chemical shifts (13C and 15N NMR) and corresponding interatomic distances which are combined into a 3D abstract space matrix. The method is called 3D-SDAR (3-dimensional spectral data-activity relationship) and can be interrogated to identify molecular features responsible for the activity, which can in turn yield simplified hERG toxicophores. A dataset of 55 hERG potassium channel inhibitors collected from Kramer et al. consisting of 32 drugs with TdP risk and 23 with no TdP risk was used for training the 3D-SDAR model. Results: An artificial neural network (ANN) with multilayer perceptron was used to define collinearities among the independent 3D-SDAR features. A composite model from 200 random iterations with 25% of the molecules in each case yielded the following figures of merit: training, 99.2%; internal test sets, 66.7%; external (blind validation) test set, 68. 4%. In the external test set, 70.3% of positive TdP drugs were correctly predicted. Moreover, toxicophores were generated from TdP drugs. Conclusion: A 3D-SDAR was successfully used to build a predictive model for drug-induced torsadogenic and non-torsadogenic drugs based on 55 compounds. The model was tested in 38 external drugs.

59 BASIC BIOLOGICAL SCIENCES↗

Evaluation of Spent Nuclear Fuel Disposition in Salt (FY18)

This report summarizes the 2018 fiscal year (FY18) field, laboratory, and modeling work funded by the US Department of Energy Office of Nuclear Energy (DOE-NE) Spent Fuel and Waste Science & Technology (SFWST) campaign as part of the Sandia National Laboratories Salt Research and Development (R&D) and Salt International work packages. This report satisfies level-two milestone M2SF-18SNO10303031and comprises three related but stand-alone sections. The first section summarizes the programmatic progress made to date in the DOE-NE salt program and its goals going forward. The second section presents brine composition modeling and laboratory activities related to salt evaporation experiments, which will be used to interpret data collected during the heater test. The third section presents theoretical and numerical modeling work done to investigate the effects brine composition have on dihedral angle and the permeability of salt.

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Bulk compositions of the moon and earth, estimated from meteorites

The present work calculates the bulk compositions of the earth and moon, based on the assumption that these planets formed by the same processes as chondrites. In terms of the model presented, the earth contains 9.2% early condensate and 1.5% carbonaceous, volatile-rich silicate. For the moon these percentages are 30.1 and 0.04, respectively. When lunar and terrestrial basalt data are normalized to these model compositions, element abundance patterns based on the percentages (assuming that each component carried its cosmic complement of trace elements) demonstrate the essential identity of igneous processes on both celestial bodies.

Ganapathy, R.↗

Particle Interaction Physics Model Formulation for Plume-Surface Interaction Erosion and Cratering

The Predictive Simulation Capability development team of the STMD Game Changing Development sponsored PSI project is implementing computational simulation capability for the efficient and accurate prediction of Plume-Surface Interaction induced surface erosion and cratering in Martian and Lunar environments. The status of the Focus Area 3 of the PSI project in the generation and efficient application of accurate soil particle composition modeling in the Gas-Granular Flow Solver (GGFS) computational framework is presented. The process of constitutive closure model database generation using DEM particle interaction modeling for capturing the effects of irregular particle shape and poly-disperse mixture distribution effects is outlined. This capability has now been ported to NASA supercomputer assets and NASA engineers successfully demonstrated technology and skillset transfer in model generation for spherical and irregularly shaped, mono-disperse and bi-disperse mixture compositions. Assessment of the computational efficiency and practicality of the academic serially executed DEM tools on NASA supercomputers identified the need to migrate to a DEM framework capable of performing parallel simulations in a simultaneous process orchestrated in an automated setup, execution, database extraction, and dataset delivery ready for application simulations. The LIGGGHTS DEM toolset has been selected as the most suitable tool to migrate the DEM simulations. Once the soil model generation process is implemented, models capturing the shape and poly-dispersity effects will be generated to perform much refined validation simulations against the experiments performed under the PSI project. The application readiness of the soil models currently operational in GGFS was presented for the example of a full scale, 3-D simulation of the plume induced erosion and crater formation of the Apollo LM at an elevation of 5m above ground in a low pressure, near vacuum background.

Peter A Liever↗

Particle Interaction Physics Model Formulation for Plume-Surface Interaction Erosion and Cratering

The Predictive Simulation Capability development team of the STMD Game Changing Development sponsored PSI project is implementing computational simulation capability for the efficient and accurate prediction of Plume-Surface Interaction induced surface erosion and cratering in Martian and Lunar environments. The status of the Focus Area 3 of the PSI project in the generation and efficient application of accurate soil particle composition modeling in the Gas-Granular Flow Solver (GGFS) computational framework is presented. The process of constitutive closure model database generation using DEM particle interaction modeling for capturing the effects of irregular particle shape and poly-disperse mixture distribution effects is outlined. This capability has now been ported to NASA supercomputer assets and NASA engineers successfully demonstrated technology and skillset transfer in model generation for spherical and irregularly shaped, mono-disperse and bi-disperse mixture compositions. Assessment of the computational efficiency and practicality of the academic serially executed DEM tools on NASA supercomputers identified the need to migrate to a DEM framework capable of performing parallel simulations in a simultaneous process orchestrated in an automated setup, execution, database extraction, and dataset delivery ready for application simulations. The LIGGGHTS DEM toolset has been selected as the most suitable tool to migrate the DEM simulations. Once the soil model generation process is implemented, models capturing the shape and poly-dispersity effects will be generated to perform much refined validation simulations against the experiments performed under the PSI project. The application readiness of the soil models currently operational in GGFS was presented for the example of a full scale, 3-D simulation of the plume induced erosion and crater formation of the Apollo LM at an elevation of 5m above ground in a low pressure, near vacuum background.

Peter A Liever↗

Lunar and Planetary Science XXXV: Mars: Remote Sensing and Terrestrial Analogs

The session "Mars: Remote Sensing and Terrestrial Analogs" included the following:Physical Meaning of the Hapke Parameter for Macroscopic Roughness: Experimental Determination for Planetary Regolith Surface Analogs and Numerical Approach; Near-Infrared Spectra of Martian Pyroxene Separates: First Results from Mars Spectroscopy Consortium; Anomalous Spectra of High-Ca Pyroxenes: Correlation Between Ir and M ssbauer Patterns; THEMIS-IR Emissivity Spectrum of a Large Dark Streak near Olympus Mons; Geomorphologic/Thermophysical Mapping of the Athabasca Region, Mars, Using THEMIS Infrared Imaging; Mars Thermal Inertia from THEMIS Data; Multispectral Analysis Methods for Mapping Aqueous Mineral Depostis in Proposed Paleolake Basins on Mars Using THEMIS Data; Joint Analysis of Mars Odyssey THEMIS Visible and Infrared Images: A Magic Airbrush for Qualitative and Quantitative Morphology; Analysis of Mars Thermal Emission Spectrometer Data Using Large Mineral Reference Libraries ; Negative Abundance : A Problem in Compositional Modeling of Hyperspectral Images; Mars-LAB: First Remote Sensing Data of Mineralogy Exposed at Small Mars-Analog Craters, Nevada Test Site; A Tool for the 2003 Rover Mini-TES: Downwelling Radiance Compensation Using Integrated Line-Sight Sky Measurements; Learning About Mars Geology Using Thermal Infrared Spectral Imaging: Orbiter and Rover Perspectives; Classifying Terrestrial Volcanic Alteration Processes and Defining Alteration Processes they Represent on Mars; Cemented Volcanic Soils, Martian Spectra and Implications for the Martian Climate; Palagonitic Mars: A Basalt Centric View of Surface Composition and Aqueous Alteration; Combining a Non Linear Unmixing Model and the Tetracorder Algorithm: Application to the ISM Dataset; Spectral Reflectance Properties of Some Basaltic Weathering Products; Morphometric LIDAR Analysis of Amboy Crater, California: Application to MOLA Analysis of Analog Features on Mars; Airborne Radar Study of Soil Moisture at a Mars Analog Site: Tohachi Wash/Little Colorado River; and Antarctic Dry Valleys: Modification of Rocks and Soils and Implications for Mars The Arkaroola Mars Analogue Region, South Australia.

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Defense waste processing facility (DWPF) liquids model: revisions for processing higher TIO 2 containing glasses

Radioactive high level waste (HLW) at the Savannah River Site (SRS) has successfully been vitrified into borosilicate glass in the Defense Waste Processing Facility (DWPF) since 1996. Vitrification requires stringent product/process (P/P) constraints since the glass cannot be reworked once it is poured into ten foot tall by two foot diameter canisters. A unique “feed forward” statistical process control (SPC) was developed for this control rather than statistical quality control (SQC). In SPC, the feed composition to the DWPF melter is controlled prior to vitrification. In SQC, the glass product would be sampled after it is vitrified. Individual glass property-composition models form the basis for the “feed forward” SPC. The models transform constraints on the melt and glass properties into constraints on the feed composition going to the melter in order to guarantee, at the 95% confidence level, that the feed will be processable and that the durability of the resulting waste form will be acceptable to a geologic repository. This report documents the development of revised TiO 2 , Na 2 O, Li 2 O and Fe 2 O 3 coefficients in the SWPF liquidus model and revised coefficients (a, b, c, and d).

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An investigation of the failure and fracture behavior of graphite/epoxy laminates

A fundamental investigation of the fracture behavior of fiber reinforced composites is discussed. It is suggested that experimental and analytical investigations should compliment each other. Further, it is suggested that in order to understand and mathematically model composite fracture it is necessary to explore, understand and characterize the stress-strain behavior of each type of laminate tested from initial loading to incipient fracture. That is, it is not only necessary to perform fracture studies but it is necessary to perform stress-strain characterization and failure studies as well. For this reason a literature survey is presented in which these three elements are discussed. An experimental program to determine tensile properties of unnotched and notched unidirectional and multi-directional laminates composed of Hercules AS Fiber and 3501 Resin is described. Experimental unnotched moduli and strengths are presented, discussed and compared to lamination theory predictions. It is shown that rate effects are small and that lamination theory gives good results for moduli but not for strengths.

Brinson, H. F.↗

Design of anisotropic plates for improved damage tolerance

An analytical study is presented showing the effects of the notch tip geometry on the location and direction of crack growth from an existing notch in a unidirectional fibrous composite modeled as a homogeneous, anisotropic, elastic material. Anisotropic elasticity and the normal stress ratio theory are used to study crack growth from elliptical notches in unidirectional composites. Sharp cracks, circular holes, and ellipses are studied under far-field tension and shear loading. The capabilities of a previously developed design code was upgraded to handle more generalized plate geometries and laminates under a more generalized loading and boundary conditions. Discussion of the developments of the design code is presented.

Guerdal, Zafer↗

SR-7A aeroelastic model design report

A scale model was designed to simulate the aeroelastic characteristics and performance of the 2.74 meter (9 ft.) diameter SR-7L blade. The procedures used in this model blade design are discussed. Included in this synopsis is background information concerning scaling parameters and an explanation of manufacturing limitations. A description of the final composite model blade, made of titanium, fiberglass, and graphite, is provided. Analytical methods for determining the blade stresses, natural frequencies and mode shapes, and stability are discussed at length.

Nagle, D.↗

Effect of initial flaw shape on crack extension in orthotropic composite materials

An analytical study is presented showing the effects of the notch tip geometry on the location and direction of crack growth from an existing notch in a unidirectional fibrous composite modelled as a homogeneous, anisotropic, elastic material. Anisotropic elasticity and the normal stress ratio theory are used to study crack growth from elliptical notches in unidirectional composites. Sharp cracks, circular holes, and ellipses are studied under far-field tension and shear loading. Limited comparisons are made showing good correlation with experimental results.

Gurdal, Z.↗