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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

A Study into the Benefits of Using Discrete Event Simulation in TRU and Mixed Low-Level Waste (MLLW) Disposal at Advanced Mixed Waste Treatment Plant (AMWTP) - 19536

As part of the 1995 Settlement agreement reached between the Idaho State Government and the Idaho National laboratory, it was agreed that the approximately 65,000 cubic metres of waste stored at the AMWTP site was to be shipped out of the state to the waste isolation pilot plant (WIPP) in New Mexico or a similar disposal facility by the end of December 2018. In June 2016, the operation of AMWTP was taken over by Fluor Idaho, a subsidiary of Fluor Inc. To improve their capability of processing all of the varied waste contained on the extensive site, Fluor Idaho requested the assistance of DBD Ltd. We were tasked with producing an all-encompassing operational research (OR) model/discrete event simulation (DES) model of the site, which is able to produce live end-date predictions based on current inventory and waste tracking against milestones. The DES model, is capable of predicting years worth of plant operation in a matter of minutes including the variation caused by such complexities as resource/staff availability, equipment breakdown and maintenance, prioritisation of different waste types, and varying shift patterns of both staff and facilities. The DES model can be run from its own bespoke dashboard, that can be customised to suit the audience it is being used to inform, producing clear key performance indicator (KPI) graphics and high-level overviews for senior management, down to drum by drum breakdowns of the predicted feed plans for each individual facility on the AMWTP site for a work planner to analyse and compare to the current operations. Simulation can produce these types of outputs for very low cost and low risk, as it avoids experimentation to find potential alternatives to the status-quo that could result in loss of production or time. These methods can also be used to produce cost benefit analyses for suggested processing options feeding into optioneering studies and cost reduction strategies. As a tool for plant optimisation and tracking, discrete event simulation can provide detailed results quickly and reliably. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2016

Tool for Generation of MAC/GMC Representative Unit Cell for CMC/PMC Analysis

This document describes a recently developed analysis tool that enhances the resident capabilities of the Micromechanics Analysis Code with the Generalized Method of Cells (MAC/GMC) 4.0. This tool is especially useful in analyzing ceramic matrix composites (CMCs), where higher fidelity with improved accuracy of local response is needed. The tool, however, can be used for analyzing polymer matrix composites (PMCs) as well. MAC/GMC 4.0 is a composite material and laminate analysis software developed at NASA Glenn Research Center. The software package has been built around the concept of the generalized method of cells (GMC). The computer code is developed with a user friendly framework, along with a library of local inelastic, damage, and failure models. Further, application of simulated thermomechanical loading, generation of output results, and selection of architectures to represent the composite material have been automated to increase the user friendliness, as well as to make it more robust in terms of input preparation and code execution. Finally, classical lamination theory has been implemented within the software, wherein GMC is used to model the composite material response of each ply. Thus, the full range of GMC composite material capabilities is available for analysis of arbitrary laminate configurations as well. The primary focus of the current effort is to provide a graphical user interface (GUI) capability that generates a number of different user-defined repeating unit cells (RUCs). In addition, the code has provisions for generation of a MAC/GMC-compatible input text file that can be merged with any MAC/GMC input file tailored to analyze composite materials. Although the primary intention was to address the three different constituents and phases that are usually present in CMCs-namely, fibers, matrix, and interphase-it can be easily modified to address two-phase polymer matrix composite (PMC) materials where an interphase is absent. Currently, the tool capability includes generation of RUCs for square packing, hexagonal packing, and random fiber packing as well as RUCs based on actual composite micrographs. All these options have the fibers modeled as having a circular cross-sectional area. In addition, a simplified version of RUC is provided where the fibers are treated as having a square cross section and are distributed randomly. This RUC facilitates a speedy analysis using the higher fidelity version of GMC known as HFGMC. The first four mentioned options above support uniform subcell discretization. The last one has variable subcell sizes due to the primary intention of keeping the RUC size to a minimum to gain the speed ups using the higher fidelity version of MAC. The code is implemented within the MATLAB (The Mathworks, Inc., Natick, MA) developmental framework; however, a standalone application that does not need a priori MATLAB installation is also created with the aid of the MATLAB compiler.

Materials Engineering↗
DOE OSTI2017

Fast and self-learning indoor airflow simulation based on in situ adaptive tabulation

Fast simulation for stratified indoor airflow distributions is desired for various applications, such as design of advanced indoor environments, emergency management, and coupled annual energy simulation for buildings with stratified air distributions. Reduced order models trained by pre-computed computational fluid dynamics results are fast, but their prediction may be inaccurate when applied for conditions outside the training domain. To overcome this limitation, we propose in this paper a fast and self-learning model based on an in situ adaptive tabulation (ISAT) algorithm, which is trained by a fast fluid dynamics (FFD) model as an example. The idea is that the ISAT will retrieve the solutions from an existing data set if the estimated prediction error is within a pre-defined tolerance. Otherwise, the ISAT will execute the FFD simulation, which is accelerated by running in parallel on a graphics processing unit, for a full-scale simulation. This paper systematically investigates the feasibility of the ISAT for indoor airflow simulations by presenting the ISAT-FFD implementation alongside results related to its overall performance. Using a stratified indoor airflow as an example, we evaluated how the training time of ISAT was impacted by four factors (training methods, error tolerances, number of inputs, and number of outputs). Then we demonstrated that a trained ISAT model can predict the key information for inputs both inside and outside the training domain. The ISAT was able to answer query points both inside and close to training domain using retrieve actions within a time less than 0.001 s for each query. In conclusion, we provided suggestions for using the ISAT for building applications.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Neutral beam prompt loss in LTX-β

Prompt loss of beam injected fast ions approaches 100% in lithium tokamak experiment-beta (LTX-β) discharges, though significantly improved confinement is expected for the higher current plasmas made available by a recent upgrade to the Ohmic heating power supply. Modeling of fast ions using TRANSP/NUBEAM finds a maximum coupled beam fraction of 76% at the near-term limits of the LTX-β operating space. The full ion orbit code POET is employed to validate NUBEAM results against possible non-adiabatic effects on fast ion orbits, but corrections to the prompt loss fraction due to collisionless transport are found to be small. The graphical method code CONBEAM is used to investigate the topology of fast ion phase space as it relates to neutral beam deposition, and counter-injected NBI is considered as a way to access a region of high field side beam deposition. A metric is developed within the CONBEAM using a beam filament model to estimate the prompt loss fraction and shown to agree well with both POET and NUBEAM, enabling near real-time analysis and potential feedback to operators between plasma discharges.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1989

Space shuttle propulsion estimation development verification, volume 1

The results of the Propulsion Estimation Development Verification are summarized. A computer program developed under a previous contract (NAS8-35324) was modified to include improved models for the Solid Rocket Booster (SRB) internal ballistics, the Space Shuttle Main Engine (SSME) power coefficient model, the vehicle dynamics using quaternions, and an improved Kalman filter algorithm based on the U-D factorized algorithm. As additional output, the estimated propulsion performances, for each device are computed with the associated 1-sigma bounds. The outputs of the estimation program are provided in graphical plots. An additional effort was expended to examine the use of the estimation approach to evaluate single engine test data. In addition to the propulsion estimation program PFILTER, a program was developed to produce a best estimate of trajectory (BET). The program LFILTER, also uses the U-D factorized algorithm form of the Kalman filter as in the propulsion estimation program PFILTER. The necessary definitions and equations explaining the Kalman filtering approach for the PFILTER program, the models used for this application for dynamics and measurements, program description, and program operation are presented.

Rogers, Robert M.↗
DOE OSTI2021

CryoFold: Determining protein structures and data-guided ensembles from cryo-EM density maps

Cryoelectron microscopy requires molecular modeling for refinement of structures. Ensemble models arrive at low free-energy molecular structures, but are computationally expensive and limited to resolving only small proteins. Here, we introduce CryoFold, a pipeline of molecular dynamics simulations that determines ensembles of protein structures by integrating density data of varying sparsity at 3–5 Å resolution with sequence information and coarse-grained topological knowledge of the protein folds. We present six examples, folding proteins between 72 and 2,000 residues, including large membrane and multi-domain systems, and results from two Electron Microscopy Data Bank (EMDB) competitions. Driven by data from a single state, CryoFold discovers ensembles of common low-energy models together with rare low-probability structures that capture the equilibrium distribution of proteins constrained by the density maps. Many of these conformations are experimentally validated and functionally relevant. We arrive at a set of best practices for data-guided protein folding that are controlled using a Python graphical user interface (GUI).

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1996

A convertor and user interface to import CAD files into worldtoolkit virtual reality systems

Virtual Reality (VR) is a rapidly developing human-to-computer interface technology. VR can be considered as a three-dimensional computer-generated Virtual World (VW) which can sense particular aspects of a user's behavior, allow the user to manipulate the objects interactively, and render the VW at real-time accordingly. The user is totally immersed in the virtual world and feel the sense of transforming into that VW. NASA/MSFC Computer Application Virtual Environments (CAVE) has been developing the space-related VR applications since 1990. The VR systems in CAVE lab are based on VPL RB2 system which consists of a VPL RB2 control tower, an LX eyephone, an Isotrak polhemus sensor, two Fastrak polhemus sensors, a folk of Bird sensor, and two VPL DG2 DataGloves. A dynamics animator called Body Electric from VPL is used as the control system to interface with all the input/output devices and to provide the network communications as well as VR programming environment. The RB2 Swivel 3D is used as the modelling program to construct the VW's. A severe limitation of the VPL VR system is the use of RB2 Swivel 3D, which restricts the files to a maximum of 1020 objects and doesn't have the advanced graphics texture mapping. The other limitation is that the VPL VR system is a turn-key system which does not provide the flexibility for user to add new sensors and C language interface. Recently, NASA/MSFC CAVE lab provides VR systems built on Sense8 WorldToolKit (WTK) which is a C library for creating VR development environments. WTK provides device drivers for most of the sensors and eyephones available on the VR market. WTK accepts several CAD file formats, such as Sense8 Neutral File Format, AutoCAD DXF and 3D Studio file format, Wave Front OBJ file format, VideoScape GEO file format, Intergraph EMS stereolithographics and CATIA Stereolithographics STL file formats. WTK functions are object-oriented in their naming convention, are grouped into classes, and provide easy C language interface. Using a CAD or modelling program to build a VW for WTK VR applications, we typically construct the stationary universe with all the geometric objects except the dynamic objects, and create each dynamic object in an individual file.

Wang, Peter Hor-Ching↗
NASA NTRS1992

Framework Programmable Platform for the Advanced Software Development Workstation (FPP/ASDW). Demonstration framework document. Volume 2: Framework process description

In the second volume of the Demonstration Framework Document, the graphical representation of the demonstration framework is given. This second document was created to facilitate the reading and comprehension of the demonstration framework. It is designed to be viewed in parallel with Section 4.2 of the first volume to help give a picture of the relationships between the UOB's (Unit of Behavior) of the model. The model is quite large and the design team felt that this form of presentation would make it easier for the reader to get a feel for the processes described in this document. The IDEF3 (Process Description Capture Method) diagrams of the processes of an Information System Development are presented. Volume 1 describes the processes and the agents involved with each process, while this volume graphically shows the precedence relationships among the processes.

Mayer, Richard J.↗
DOE OSTI2014

The analysis of magnesium oxide hydration in three-phase reaction system

In order to investigate the magnesium oxide hydration process in gas–liquid–solid (three-phase) reaction system, magnesium hydroxide was prepared by magnesium oxide hydration in liquid–solid (two-phase) and three-phase reaction systems. A semi-empirical model and the classical shrinking core model were used to fit the experimental data. The fitting result shows that both models describe well the hydration process of three-phase system, while only the semi-empirical model right for the hydration process of two-phase system. The characterization of the hydration product using X-Ray diffraction (XRD) and scanning electron microscope (SEM) was performed. The XRD and SEM show hydration process in the two-phase system follows common dissolution/precipitation mechanism. While in the three-phase system, the hydration process undergo MgO dissolution, Mg(OH){sub 2} precipitation, Mg(OH){sub 2} peeling off from MgO particle and leaving behind fresh MgO surface. - Graphical abstract: There was existence of a peeling-off process in the gas–liquid–solid (three-phase) MgO hydration system. - Highlights: • Magnesium oxide hydration in gas–liquid–solid system was investigated. • The experimental data in three-phase system could be fitted well by two models. • The morphology analysis suggested that there was existence of a peel-off process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Integrating solvation shell structure in experimentally driven molecular dynamics using x-ray solution scattering data

In the past few decades, prediction of macromolecular structures beyond the native conformation has been aided by the development of molecular dynamics (MD) protocols aimed at exploration of the energetic landscape of proteins. Yet, the computed structures do not always agree with experimental observables, calling for further development of the MD strategies to bring the computations and experiments closer together. Here, we report a scalable, efficient MD simulation approach that incorporates an x-ray solution scattering signal as a driving force for the conformational search of stable structural configurations outside of the native basin. We further demonstrate the importance of inclusion of the hydration layer effect for a precise description of the processes involving large changes in the solvent exposed area, such as unfolding. Utilization of the graphics processing unit allows for an efficient all-atom calculation of scattering patterns on-the-fly, even for large biomolecules, resulting in a speed-up of the calculation of the associated driving force. The utility of the methodology is demonstrated on two model protein systems, the structural transition of lysine-, arginine-, ornithine-binding protein and the folding of deca-alanine. We discuss how the present approach will aid in the interpretation of dynamical scattering experiments on protein folding and association.

Hsu, Darren J.↗
DOE OSTI2019

Application of Novel Adsorbent Prepared by Mucor hiemalis Biomass Impregnated with Calcium Alginate for Removal of Sr{sup 2+} from Aqueous Solutions

In this research, a novel biosorbent was prepared by Mucor hiemalis biomass combined with calcium alginate (Mucor hiemalis/Alg-Ca). The dead biomass was entrapped into alginate gel by curing method in the presence of Ca{sup 2+} ions. The synthesized biosorbent characterized by XRD, EDAX, BET, FTIR, and SEM techniques was used for removal of Sr{sup 2+} from aquatic streams under various experimental conditions and the optimized adsorption capacity of 140 mg g{sup −1} was obtained. The selectivity of the adsorbent towards Sr{sup 2+} studied in the presence of Na{sup +}, Cs{sup +}, Ca{sup 2+} and Mg{sup 2+} was reasonably high. The adsorption process was kinetically fast and the equilibrium was established within 60 min, and followed the pseudo-second order kinetics model. The equilibrium data was well described by Langmuir isotherm model. The thermodynamics parameters (∆G°, ∆H° and ∆S°) of the process were determined. Positive ∆H° and negative ∆G° were indicative of the endothermic and spontaneous nature of the adsorption process. Graphical Abstract: .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Microstructure and phase evolution in single phase CuInSe{sub 2} particles synthesized using elemental precursors

This paper reports solid-state formation reaction pathways for CuInSe{sub 2} particles synthesized by ultrasonic irradiation of elemental precursors followed by thermal annealing. Effective heat of formation (EHF) model is used to predict the first formed and consecutively formed phases of Cu+Se, In+Se compounds. The XRD patterns showed that CuSe and In{sub 4}Se{sub 3} phases are formed by ultrasonication of Cu+Se and In+Se precursors as predicted by the EHF model. As-sonicated Cu+In+Se precursors are thermally annealed and the CuInSe{sub 2} reaction is investigated based on the crystallographic relation between the binary phases. According to this model, when either CuSe{sub 2} or In{sub 4}Se{sub 3} phases are involved in the CuInSe{sub 2} formation, the reaction is categorized under suppressed reactions due to the missing epitaxial relation. An activated reaction is reported between CuSe and InSe phases due to the epitaxial match. The experimental findings support the crystallographic model by the completion of CuInSe{sub 2} formation reaction at 350 °C annealing temperature, which is after the phase transformation of CuSe{sub 2} to CuSe at 342 °C. - Graphical abstract: Ultrasonically irradiation and thermally annealing of Cu+In+Se mixture result in nanocrystalline CuInSe{sub 2} particles due to the proposed reaction pathways. - Highlights: • Nanocrsytalline CuInSe{sub 2} particles are synthesized from elemental precursors. • Sonochemistry is successfully utilized to prepare binary selenide phases. • Nanocrystalline CuInSe{sub 2} phase started to form with thermal annealing at 250 °C. • Single phase CuInSe{sub 2} is achieved at 350 °C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Structural and magnetotransport properties of the Y doped A-site deficient double layered manganites La{sub 1.2−x}□{sub 0.2}Y{sub x}Ca{sub 1.6}Mn{sub 2}O{sub 7}

We present structural, magnetic and electrical properties of the polycrystalline A-site-deficient yttrium doped double layered manganites La{sub 1.2−x}□{sub 0.2}Y{sub x}Ca{sub 1.6}Mn{sub 2}O{sub 7} (x=0.2, 0.3 and 0.4) prepared by a solid state reaction method. The samples crystallize in the tetragonal structure with the space group I4/mmm. Doping with Y decreases the cell parameters and causes a decrease of the metal-insulator transition temperature. The same evolution with doping is also seen for the deduced Curie temperature from susceptibility curves which present a clear paramagnetic-ferromagnetic transition. The significant positive intrinsic magnetoresistance, shown in all samples, reaches 85% at 122 K under 7 T for 0.3 doped sample and can be attributed to the suppression of spin fluctuations via aligning the spins under external magnetic field, while the extrinsic one is attributed to the inter-grain spin-polarized tunneling across the grain boundaries. The simulation of the resistivity curves in the entire temperature range show that the percolation model is suitable to fit our results. The applied magnetic field increases the density of states near the Fermi level, which is in accordance with the observed decrease of resistivity. - Graphical abstract: Resistivity and magnetoresistance of La{sub 1.2−x}□{sub 0.2}Y{sub x}Ca{sub 1.6}Mn{sub 2}O{sub 7} (x=0.2, 0.3, 0.4). Solid lines correspond to the fitting results. Display Omitted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Polyethyleneimine modified bentonite for the adsorption of amino black 10B

The modified bentonite with a graft amount of 30% was prepared by polyethylenimine reacting with the epoxy bonds on the molecular of (3-Glycidyloxypropyl) trimethoxysilane and being grafted on the bentonite to remove amino black10B. The effects of pH, time, temperature and concentration on the adsorption capacity were studied. As the pH value increases from 3 to 10, the adsorption capacity decreased from 264.5 to 140.4 mg/g. The adsorption process reached equilibrium at 90 min when pH=3. The adsorption kinetics indicates that the adsorption process was very fast and in accordance with the secondary adsorption kinetics. The data about thermodynamic equilibrium was consistent with the Langmuir model. The adsorption process mainly depended on electrostatic attraction and hydrogen bonding and the adsorption data of Bent-PGLYMO-PEI showed that the maximum adsorption capacity reached 327.7 mg/g. - Graphical abstract: Bent-PGLYMO-PEI has been synthesized and exhibited a high adsorption capacity on amino black 10B due to electrostatic interaction between polyethyleneimine and amino black 10B. Display Omitted - Highlights: • The composite material is covalently bonded and stable. • Each repeating unit of polyethyleneimine has a plurality of adsorption sites. • Bent-GLYMO-PEI has a faster adsorption rate and a higher adsorption capacity for amino black 10B.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Sparse Linear Solvers for Large-scale Electromagnetic Transient Simulations

Linear solvers form the basis for electromagnetic transient (EMT) simulations. There is a need to speed up EMT simulations as larger regions are analyzed using EMT simulations. For the same, the performance of linear solvers plays an important role. Exploiting the sparsity of the matrices generated in EMT simulations could assist with speed-up. Scalability is also crucial as power grids expand, demanding solutions capable of accommodating the increasing system size. Recent studies from the North American Electric Reliability Corporation (NERC) increasingly emphasize that EMT simulation models of the power grid will grow larger with the inclusion of power electronics components. Parallelisms in sparsity patterns exploit modern central processing units (CPUs), multi-core CPUs, and graphics processing units (GPUs) architectures in sparse solver designs. Therefore, this paper explores publicly available existing linear solvers and investigates their efficiency in large-scale power grid simulations. A large-scale power grid is developed by increasing the size of the IEEE 39 bus test system to up to 39000 bus systems.

Hsu, Kuan-Chieh↗
NASA NTRS1972

Performance evaluation of the two-inch return-beam vidicon three-camera subsystem.

A very-high resolution multispectral television camera system is being developed for NASA for use on the Earth Resources Technology Satellite (ERTS) program. There are three cameras in the system, each viewing the same area but operating in the blue-green, red and near-infrared spectral bands. In the laboratory the cameras' limiting resolution is 4500 TV lines over the 25 x 25-mm image format of the Return Beam Vidicon (RBV). Analysis of typical ERTS scenes shows that actual contrast ratios will be much lower than those of laboratory test targets. A model was developed to predict the resolving power performance of the RBV camera under realistic conditions. The methods used are applicable to all types of imaging systems. To verify the model, tests were conducted using the RBV camera, a laser-beam image reproducer and a series of AF tribar test patterns of known values of contrast. As a more graphic demonstration, simulated multispectral images were generated using color-IR photographs from Apollo 9.

Miller, B. P.↗
NASA NTRS1972

High resolution multispectral camera system for ERTS A & B.

A very-high resolution multispectral television camera system is being developed for use on the earth resources technology satellite (ERTS) program. There are three cameras in the system, each viewing the same area but operating in the blue-green, red, and near-infrared spectral bands. In the laboratory the cameras' limiting resolution is 4500 TV lines over the 25 + 25-mm image format of the return beam vidicon (RBV). A model was developed to predict the resolving power performance of the RBV camera under realistic conditions. To verify the model, tests were conducted using the RBV camera, a laser-beam image reproducer and a series of AF tribar test patterns of known values of contrast. As a more graphic demonstration, simulated multispectral images were generated using color-IR photographs from Apollo 9. The measured signal-to-noise, resolution, and spectral characteristics of the ERTS Flight A and Flight B three-camera systems are presented in conclusion.

Miller, B. P.↗
NASA NTRS1973

High resolution multispectral camera system for ERTS A & B

A very high resolution multispectral television camera system has been developed for NASA for use on the Earth Resources Technology Satellite (ERTS) program. There are three cameras in the system, each viewing the same area but operating in the blue-green, red, and near-infrared spectral bands. In the laboratory the cameras' limiting resolution is 4500 TV lines over the 25 x 25-mm image format of the Return Beam Vidicon (RBV). Analysis of typical ERTS scenes shows that actual contrast ratios will be much lower than those of laboratory test targets. A model was developed to predict the resolving power performance of the RBV camera under realistic conditions. To verify the model, tests were conducted using the RBV camera, a laser-beam image reproducer and a series of AF tribar test patterns of known values of contrast. As a more graphic demonstration, simulated multispectral images were generated using color-IR photographs from Apollo 9. The measured signal-to-noise, resolution, and spectral characteristics of the ERTS Flight A and Flight B three-camera systems are presented in conclusion.

Miller, B. P.↗