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At least 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

2001 Numerical Propulsion System Simulation Review

The technologies necessary to enable detailed numerical simulations of complete propulsion systems are being developed at the NASA Glenn Research Center in cooperation with industry, academia and other government agencies. Large scale, detailed simulations will be of great value to the nation because they eliminate some of the costly testing required to develop and certify advanced propulsion systems. In addition, time and cost savings will be achieved by enabling design details to be evaluated early in the development process before a commitment is made to a specific design. This concept is called the Numerical Propulsion System Simulation (NPSS). NPSS consists of three main elements: (1) engineering models that enable multidisciplinary analysis of large subsystems and systems at various levels of detail, (2) a simulation environment that maximizes designer productivity, and (3) a cost-effective, high-performance computing platform. A fundamental requirement of the concept is that the simulations must be capable of overnight execution on easily accessible computing platforms. This will greatly facilitate the use of large-scale simulations in a design environment. This paper describes the current status of the NPSS with specific emphasis on the progress made over the past year on air breathing propulsion applications. Major accomplishments include the first formal release of the NPSS object-oriented architecture (NPSS Version 1) and the demonstration of a one order of magnitude reduction in computing cost-to-performance ratio using a cluster of personal computers. The paper also describes the future NPSS milestones, which include the simulation of space transportation propulsion systems in response to increased emphasis on safe, low cost access to space within NASA's Aerospace Technology Enterprise. In addition, the paper contains a summary of the feedback received from industry partners on the fiscal year 2000 effort and the actions taken over the past year to respond to that feedback. NPSS was supported in fiscal year 2001 by the High Performance Computing and Communications Program.

Lytle, John↗
NASA NTRS2001

Paper-Thin Coating Offers Maximum Protection

Wessex Incorporated has recently taken a technology that was originally developed for NASA as a protective coating for ceramic materials used in heatshields for space vehicles, and modified it for use in applications such as building materials, machinery, and transportation. The technology, developed at NASA Ames Research Center as a protective coating for flexible ceramic composites (PCC), is environmentally safe, water-based, and contains no solvents. Many other flame-retardant materials contain petroleum-based components, which can produce toxic smoke under flame. Wessex versions of PCC can be used to shield ceramics, wood, plasterboard, steel, plastics, fiberglass, and other materials from catastrophic fires. They are extraordinarily tough and exhibit excellent resistance to thermal shock, vibration, abrasion, and mechanical damage. One thin layer of coating provides necessary protection and allows for flexibility while avoiding excessive weight disadvantages. The coating essentially reduces the likelihood of the underlying material becoming so hot that it combusts and thus inhibits the "flashover" phenomenon from occurring.

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NASA NTRS2011

Demonstration/Validation of Environmentally-Preferable Coatings for Launch Facilities

Kennedy Space Center (KSC) is responsible for a number of facilities/structures with metallic structural and non-structural components in a highly corrosive environment. Metals require periodic maintenance activity to guard against the insidious effects of corrosion and thus ensure that structures meet or exceed design or performance life. The standard practice for protecting metallic substrates in atmospheric environments is the application of an applied coating system. Applied coating systems work via a variety of methods (barrier, galvanic and/or inhibitor) and adhere to the substrate through a combination of chemical and physical bonds. Maintenance at KSC and other NASA Centers is governed by NASA-STD-50088 (Protective Coating of Carbon Steel, Stainless Steel, and Aluminum on Launch Structures, Facilities, and Ground Support Equipment) which establishes practices for the protective coating of ground support equipment and related facilities used by or for NASA programs and projects. The Standard is for the design of non-flight hardware used to support the operations of receiving, transportation, handling, assembly, inspection, test, checkout, service, and launch of space vehicles and payloads at NASA launch, landing, or retrieval sites. These criteria and practices contained within the Standard may be used for items used at the manufacturing, development, and test sites upstream of the launch, landing, or retrieval sites. The objective of this effort is to demonstrate and validate environmentally-preferable alternatives in accordance with NASA-STD-50088 and KSC requirements which can then be added to the Approved Products List. This Test Protocol contains the critical requirements and tests necessary to qualify alternatives for structural steel applications. These tests were derived from engineering, performance, and operational impact (supportability) requirements defined by a consensus of KSC participants. A Test Report will document the results of the testing as well as any test modifications made during the execution of the testing. Users of this Test Protocol should check the project's Test Report for additional test details or minor modifications that may have been necessary in the execution of the testing. The technical stakeholders will have agreed upon test procedures modifications documented in the Test Report.

Lewis, Pattie↗
NASA NTRS2012

NASA Tech Briefs, December 2012

The topics include: Pattern Generator for Bench Test of Digital Boards; 670-GHz Down- and Up-Converting HEMT-Based Mixers; Lidar Electro-Optic Beam Switch with a Liquid Crystal Variable Retarder; Feedback Augmented Sub-Ranging (FASR) Quantizer; Real-Time Distributed Embedded Oscillator Operating Frequency Monitoring; Software Modules for the Proximity-1 Space Link Interleaved Time Synchronization (PITS) Protocol; Description and User Instructions for the Quaternion to Orbit v3 Software; AdapChem; Mars Relay Lander and Orbiter Overflight Profile Estimation; Extended Testability Analysis Tool; Interactive 3D Mars Visualization; Rapid Diagnostics of Onboard Sequences; MER Telemetry Processor; pyam: Python Implementation of YaM; Process for Patterning Indium for Bump Bonding; Archway for Radiation and Micrometeorite Occurrence Resistance; 4D Light Field Imaging System Using Programmable Aperture; Device and Container for Reheating and Sterilization; Radio Frequency Plasma Discharge Lamps for Use as Stable Calibration Light Sources; Membrane Shell Reflector Segment Antenna; High-Speed Transport of Fluid Drops and Solid Particles via Surface Acoustic Waves; Compact Autonomous Hemispheric Vision System; A Distributive, Non-Destructive, Real-Time Approach to Snowpack Monitoring; Wideband Single-Crystal Transducer for Bone Characterization; Numerical Simulation of Rocket Exhaust Interaction With Lunar Soil; Motion Imagery and Robotics Application (MIRA): Standards-Based Robotics; Particle Filtering for Model-Based Anomaly Detection in Sensor Networks; Ka-band Digitally Beamformed Airborne Radar Using SweepSAR Technique; Composite With In Situ Plenums; Multi-Beam Approach for Accelerating Alignment and Calibration of HyspIRI-Like Imaging Spectrometers; JWST Lifting System; Next-Generation Tumbleweed Rover; Pneumatic System for Concentration of Micrometer-Size Lunar Soil.

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NASA NTRS2016

Pluto and Charon Seen with the New Horizons Spacecraft

After nearly a decade en route, New Horizons flew through the Pluto system in July 2015. The encounter hemisphere of Pluto shows ongoing surface geological activity centered on a vast basin (Sputnik Planum [SP]*) containing a thick layer of volatile ices with a crater retention age no greater than approximately 10 Ma. Surrounding terrains show active glacial flow, apparent transport and rotation of large buoyant water-ice crustal blocks, and pitting, likely by sublimation erosion and/or collapse. Also seen are constructional mounds with central depressions, and ridges with complex bladed textures. Pluto has ancient cratered terrains up to approximately 4 Ga old that are fractured and mantled, and perhaps eroded by glacial processes. Charon does not appear to be currently active, but experienced major tectonism and resurfacing nearly 4 Ga ago. Imaging spectrometer observations of Pluto reveal the encounter hemisphere to be dominated by volatile ices of N2, CO, and CH4, along with non-volatile components that include H2O and tholins. The most volatile of Pluto's ices (N2 and CO) are especially prevalent in the western half of Tombaugh Regio (TR), and the strikingly flat Sputnik Planum basin, which lies a few km below surrounding elevations. The high mobility of N2 and CO ices enables SP's surface to refresh itself sufficiently rapidly that no impact craters are seen there. This likely occurs through a combination of solid state convective overturning and sublimation/ condensation that produces regular patterns of pits and ridges on scales of 102 to 103 m. In many areas, CH4 appears to favor topographically high regions. Its propensity to condense on ridges could play a role in forming the bladed terrain seen in Tartarus Dorsa. H2O can be discerned across much of Cthulhu Regio, and also in a few isolated spots. In many regions, H2O ice is associated with reddish tholin coloration. Pluto's atmosphere was probed with the radio science experiment (REX) and the Alice UV spectrometer, as well as imaging at high phase angles. The surface pressure, due mostly to N2, is approximately 11 microbars. Extensive multiple haze layers are seen in the images. Alice has detected hydrocarbons in addition to CH4 in the atmosphere. Since both are inert, H2O ice and tholin could have similar geological behaviors on Pluto, possibly including aeolian transport or mobilization by volatile ice glaciation. While Pluto's H2O ice is sculpted and at least partially veiled by more volatile ices, Charon's heavily cratered H2O ice is exposed globally. H2O ice spectral bands characteristic of crystalline ice are seen everywhere on the encounter hemisphere. Charon's north polar region is strikingly red, possibly the result of the unique thermal environment of Charon's poles, which become exceptionally cold during the long, dark winters. Extremely cold regions on Charon' could cold trap gases expanding outward from Pluto as ices, and thereby subject them to rapid radiolytic processing. Charon also exhibits a weak NH3 absorption band over most or all of its surface, with small local concentrations. Detailed results of the radio science, small satellite, particles and plasma, and atmosphere investigations are in press.

Pluto↗
NASA NTRSDate not supplied

Mapping Aerosol Lidar Ratios Over Ocean using MODIS AOD Constrained Retrievals and GOCART Model Simulations

After 17 years, the NASA Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) mission ceased science operations in August 2023. For the final CALIPSO data products release (Version 5), the CALIPSO project seeks to improve the accuracy of its aerosol extinction by advancing knowledge of aerosol lidar ratios (i.e., extinction-to-backscatter ratios; LRs) for various aerosol types. The current algorithm assigns one LR value globally for each of the seven tropospheric aerosol types. The CALIPSO team aims to improve the retrieval algorithm through the development of regional and seasonal LR climatologies for the same aerosol types. In this study, aerosol LRs are inferred through Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) backscatter profiles constrained by collocated aerosol optical depth (AOD) from Aqua Moderate Resolution Imaging Spectroradiometer (MODIS) data over oceans during daytime. This analysis is subsampled for those profiles that are cloud-free and contain only one CALIOP-classified aerosol type. The CALIOP profiles are then collocated with aerosol volume fractions obtained through Goddard Chemistry Aerosol Radiation and Transport (GOCART) model simulations. This presentation will reveal findings that the 12-year (June 2006-August 2018) mean spatial distributions of inferred aerosol LRs for CALIOP-classified marine and dusty marine aerosols correspond inversely with patterns of GOCART sea salt volume fraction (SSVF). For example, smaller SSVFs (< 65%) and larger LRs (> 55 sr), are found near land masses (Fig. 1). This indicates the influence of advected anthropogenic aerosols (e.g., pollution and biomass burning smoke). In the remote oceans (i.e., regions likely less impacted by non-sea salt aerosols), the SSVFs are larger (> 95%) and the LRs are smaller (< 25 sr) (Fig. 1). A polynomial fit of the MODIS AOD constrained LRs to the corresponding GOCART SSVFs (intersect values of ~58 sr for SSVF of 0% and ~21 sr for SSVF of 100%) is further used to produce model-assisted climatological LR maps on seasonal scales. Additionally, we will show results of a LR validation analysis for which we compare the revised CALIPSO AODs obtained by applying the seasonal/regional constrained LRs against CALIPSO Version 4.51 Ocean Derived Column Optical Depth (ODCOD). While the majority of the presentation will focus on LRs for CALIOP-classified marine and dusty marine aerosols, an overview of LR results will show preliminary results for other aerosol types over ocean, such as dust and elevated smoke. The technique demon-strated in this study highlights the benefits not only to the final planned CALIPSO data release in 2025, but similar methods can be applied to future spaceborne elastic backscatter lidars with collocated passive sensors (e.g., such as those associated with NASA’s proposed Atmosphere Observing System).

Travis D Toth↗
DOE OSTI2020

Chemical and structural investigation of the paroxetine-human serotonin transporter complex

Antidepressants target the serotonin transporter (SERT) by inhibiting serotonin reuptake. Structural and biochemical studies aiming to understand binding of small-molecules to conformationally dynamic transporters like SERT often require thermostabilizing mutations and antibodies to stabilize a specific conformation, leading to questions about relationships of these structures to the bonafide conformation and inhibitor binding poses of wild-type transporter. To address these concerns, we determined the structures of ΔN72/ΔC13 and ts2-inactive SERT bound to paroxetine analogues using single-particle cryo-EM and x-ray crystallography, respectively. We synthesized enantiopure analogues of paroxetine containing either bromine or iodine instead of fluorine. We exploited the anomalous scattering of bromine and iodine to define the pose of these inhibitors and investigated inhibitor binding to Asn177 mutants of ts2-active SERT. These studies provide mutually consistent insights into how paroxetine and its analogues bind to the central substrate-binding site of SERT, stabilize the outward-open conformation, and inhibit serotonin transport.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1988

Transport of low- and medium-energy electron and ion beams in seawater and its vapors

A general theory of stopping power for electrons and ions in a target medium (gas, liquid, or thin solid foil) containing neutral as well as positive and negative ions is developed. The approach is quite accurate in the low- and medium-energy range (less than 1 MeV), where the Bethe stopping-power cross section is inaccurate. The energy transfer during individual collisions is treated by the binary-encounter approximation. The theory is applied to determine the stopping power of seawater, whose major components are H2O molecules and Na(+) and Cl(-) ions. The stopping-power cross sections for low- and medium-energy protons in water show excellent agreement with existing measurements.

Erwin, Daniel A.↗
NASA NTRS2015

Who's Got the Bridge? - Towards Safe, Robust Autonomous Operations at NASA Langley's Autonomy Incubator

NASA aeronautics research has made decades of contributions to aviation. Both aircraft and air traffic management (ATM) systems in use today contain NASA-developed and NASA sponsored technologies that improve safety and efficiency. Recent innovations in robotics and autonomy for automobiles and unmanned systems point to a future with increased personal mobility and access to transportation, including aviation. Automation and autonomous operations will transform the way we move people and goods. Achieving this mobility will require safe, robust, reliable operations for both the vehicle and the airspace and challenges to this inevitable future are being addressed now in government labs, universities, and industry. These challenges are the focus of NASA Langley Research Center's Autonomy Incubator whose R&D portfolio includes mission planning, trajectory and path planning, object detection and avoidance, object classification, sensor fusion, controls, machine learning, computer vision, human-machine teaming, geo-containment, open architecture design and development, as well as the test and evaluation environment that will be critical to prove system reliability and support certification. Safe autonomous operations will be enabled via onboard sensing and perception systems in both data-rich and data-deprived environments. Applied autonomy will enable safety, efficiency and unprecedented mobility as people and goods take to the skies tomorrow just as we do on the road today.

Allen, B. Danette↗
DOE OSTI2023

Impacts of PTL coating gaps on cell performance for PEM water electrolyzer

The anode porous transport layer (PTL) is a critical component of polymer electrolyte membrane (PEM) water electrolyzers, providing electrical conduction and water/oxygen transport to the anode catalyst layer. Platinum group metal (PGM) coatings are applied to titanium PTLs to prevent oxidation and preserve conductivity. To implement PEM water electrolysis on a large scale, it is essential to minimize the cost of mass-manufactured cell components while ensuring that defects in materials and components do not adversely affect the performance of the cell. In this study, we created gaps in the Pt coatings that are typically applied to PTLs to understand their effects on cell performance and inform on fabrication tolerances. The PTL coatings were fabricated by sputter deposition of Pt, intentionally leaving uncoated regions in either large patches or thin strips. For either geometry, the cell performance decreased with the increasing fraction of the uncoated regions. However, PTLs containing multiple thin uncoated strips caused a less severe performance effect than PTLs with continuous uncoated regions of the same relative total area. Through analysis of cell performance, impedance, and 3D charge transport modelling, here we demonstrate that both the anode catalyst layer and membrane play a role in distributing current to mitigate the impact of coating defects at a short length scale. These results allow to draw conclusions about the tolerance requirements with regards to PTL coating uniformity in terms of both the size and total area of defects.

08 HYDROGEN↗
DOE OSTI2025

Porous Flow Modeling of Axial Gas Redistribution in Fragmented LWR Fuel Rods using MOOSE

Understanding how gas axially redistributes within fragmented fuel pellets is crucial for predicting the behavior of Light Water Reactor (LWR) fuel rods, particularly during transient and accidental scenarios. The time scale of this phenomenon plays a fundamental role in determining the progression and hazard of a Loss Of Coolant Accident (LOCA), especially when high burn-up fuel in a severe state of fragmentation is involved. Here, this study presents a Computational Fluid Dynamics (CFD) model developed within the Multiphysics Object-Oriented Simulation Environment (MOOSE) to predict the time-scale of plenum depressurization in Light-Water Reactor (LWR) fuel rods driven by axial gas transport through fragmented pellets. The model examines the effects of incorporating non-linearities in the friction term by comparing the results with experimental data. The experiment employed surrogate fuel rods containing pellets subjected to mechanical and/or thermal loadings to simulate various severity of cracking, and aimed at studying the influence of fuel conditions on axial gas redistribution. The results of this analysis indicate that under certain flow regime conditions - determined by the value of an equivalent Reynolds number - accounting for the non-linear friction term in Navier-Stokes equations guarantees better predictions for the time-scale of plenum depressurization. Also, the model enabled the simulation of the pressure decay by assigning distinct permeability values to each pellet instead of a single uniform value. Multiple simulations were run across all possible pellet position combinations, having each pellet assigned with values of permeability extracted from the experimental data. This allows to quantify the impact of the considering various non-uniform distributions of permeability on the dynamics of axial gas redistribution. The present work findings enhance the understanding of axial gas transport, and provide valuable insights for the integration of a model for predicting the axial gas redistribution during a LOCA scenario into the BISON fuel performance code.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2006

Space Shuttle and Launch Pad Computational Fluid Dynamics Model for Lift-off Debris Transport Analysis

This paper discusses the Space Shuttle Lift-off CFD model developed for potential Lift-off Debris transport for return-to-flight. The Lift-off portion of the flight is defined as the time starting with tanking of propellants until tower clear, approximately T0+6 seconds, where interactions with the launch pad cease. A CFD model containing the Space Shuttle and launch Pad geometry has been constructed and executed. Simplifications required in the construction of the model are presented and discussed. A body-fitted overset grid of up to 170 million grid points was developed which allowed positioning of the Vehicle relative to the Launch Pad over the first six seconds of Climb-Out. The CFD model works in conjunction with a debris particle transport model and a debris particle impact damage tolerance model. These models have been used to assess the interactions of the Space Shuttle plumes, the wind environment, and their interactions with each other and the Launch Pad and their ultimate effect on potential debris during Lift-off.

Dougherty, Sam↗
DOE OSTI2023

Source characterization of volatile organic compounds at Carlsbad Caverns National Park

Carlsbad Caverns National Park (CAVE), located in southeastern New Mexico, experiences elevated ground-level ozone (O 3 ) exceeding the National Ambient Air Quality Standard (NAAQS) of 70 ppbv. It is situated adjacent to the Permian Basin, one of the largest oil and gas (O&G) producing regions in the US. In 2019, the Carlsbad Caverns Air Quality Study (CarCavAQS) was conducted to examine impacts of different sources on ozone precursors, including nitrogen oxides (NO x ) and volatile organic compounds (VOCs). Here, we use positive matrix factorization (PMF) analysis of speciated VOCs to characterize VOC sources at CAVE during the study. Seven factors were identified. Three factors composed largely of alkanes and aromatics with different lifetimes were attributed to O&G development and production activities. VOCs in these factors were typical of those emitted by O&G operations. Associated residence time analyses (RTA) indicated their contributions increased in the park during periods of transport from the Permian Basin. These O&G factors were the largest contributor to VOC reactivity with hydroxyl radicals (62%). Two PMF factors were rich in photochemically generated secondary VOCs; one factor contained species with shorter atmospheric lifetimes and one with species with longer lifetimes. RTA of the secondary factors suggested impacts of O&G emissions from regions farther upwind, such as Eagle Ford Shale and Barnett Shale formations. The last two factors were attributed to alkenes likely emitted from vehicles or other combustion sources in the Permian Basin and regional background VOCs, respectively. Implications: Carlsbad Caverns National Park experiences ground-level ozone exceeding the National Ambient Air Quality Standard. Volatile organic compounds are critical precursors to ozone formation. Measurements in the Park identify oil and gas production and development activities as the major contributors to volatile organic compounds. Emissions from the adjacent Permian Basin contributed to increases in primary species that enhanced local ozone formation. Observations of photochemically generated compounds indicate that ozone was also transported from shale formations and basins farther upwind. Therefore, emission reductions of volatile organic compounds from oil and gas activities are important for mitigating elevated O 3 in the region.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1983

Minimum-fuel turning climbout and descent guidance of transport jets

The complete flightpath optimization problem for minimum fuel consumption from takeoff to landing including the initial and final turns from and to the runway heading is solved. However, only the initial and final segments which contain the turns are treated, since the straight-line climbout, cruise, and descent problems have already been solved. The paths are derived by generating fields of extremals, using the necessary conditions of optimal control together with singular arcs and state constraints. Results show that the speed profiles for straight flight and turning flight are essentially identical except for the final horizontal accelerating or decelerating turns. The optimal turns require no abrupt maneuvers, and an approximation of the optimal turns could be easily integrated with present straight-line climb-cruise-descent fuel-optimization algorithms. Climbout at the optimal IAS rather than the 250-knot terminal-area speed limit would save 36 lb of fuel for the 727-100 aircraft.

Neuman, F.↗
DOE OSTI2023

A review of transport models in charged porous electrodes

There is increased interest in many different processes based upon interactions between a charged solid surface and a liquid electrolyte. Energy storage in capacitive porous materials, ionic membranes, capacitive deionization (CDI) for water desalination, capacitive energy generation, removal of heavy ions from wastewater streams, and geophysical applications are some examples of these processes. Process development is driven by the production of porous materials with increasing surface area. Understanding of the physical phenomena occurring at the charged solid-electrolyte interface will significantly improve the design and development of more effective applied processes. The goal of this work is to critically review the current knowledge in the field. The focus is on concepts behind different models. We start by briefly presenting the classical electrical double layer (EDL) models in flat surfaces. Then, we discuss models for porous materials containing macro-, meso-, and micro-pores. Some of the current models for systems comprising two different pore sizes are also included. Finally, we discuss the concepts behind the most common models used for ionic transport and Faradaic processes in porous media. The latter models are used for simulation of electrosorption processes in porous media.

42 ENGINEERING↗
NASA NTRSDate not supplied

Mars Sample Return – An Overview of the Capture, Containment and Return System

The Mars Sample Return campaign aims at bringing back soil, rock and atmospheric samples from Mars to Earth to answer key questions about Mars’ biological evolution by means of four missions. The first one, Mars 2020, landed on the red planet on February 18, 2021 and has to date collected a number of samples through the Perseverance rover. The three subsequent missions will recover the sample tubes, launch them into Mars orbit and transport them back to Earth. These missions are currently in the planning and design stages of development and represent an international effort comprising NASA, ESA and many industry partners. The work presented here provides an overview of the current design and concept of operations of the NASA-provided Capture, Containment, and Return System (CCRS), which is the payload of the ESA-provided Earth Return Orbiter (ERO). ERO will rendezvous with the orbiting samples and CCRS will capture them, contain them and robotically insert them into a capsule that will return the samples to Earth, the Earth Entry System (EES). Three days before arrival on Earth, CCRS will release the EES, which will fly through space, enter Earth’s atmosphere, descend on a well-defined trajectory and safely land at the Utah Test and Training Range. The decision to implement Mars Sample Return will not be finalized until NASA’s completion of the National Environmental Policy Act process. This document is being made available for information purposes only.

Mars Sample Return↗
DOE OSTI2025

Direct Observations of Solute Dispersion in Rocks With Distinct Degree of Sub‐Micron Porosity

Abstract The transport of chemical species in rocks is affected by their structural heterogeneity to yield a wide spectrum of local solute concentrations. To quantify such imperfect mixing, advanced methodologies are needed that augment the traditional breakthrough curve analysis by probing solute concentration within the fluids locally. Here, we demonstrate the application of asynchronous, multimodality imaging by X‐ray computed tomography (XCT) and positron emission tomography (PET) to the study of passive tracer experiments in laboratory rock cores. The four‐dimensional concentration maps measured by PET reveal specific signatures of the transport process, which we have quantified using fundamental measures of mixing and spreading. We observe that the extent of solute spreading correlate strongly with the strength of subcore‐scale porosity heterogeneity measured by XCT, while dilution is enhanced in rocks containing substantial sub‐micron porosity. We observe that the analysis of different metrics is necessary, as they can differ in their sensitivity to the strength and forms of heterogeneity. The multimodality imaging approach is uniquely suited to probe the fundamental difference between spreading and mixing in heterogeneous media. We propose that when multi‐dimensional data is available, mixing and spreading can be independently quantified using the same metric. We also demonstrate that one‐dimensional transport models have limited predictive ability toward the internal evolution of the solute concentration, when the model is solely calibrated against the effluent breakthrough curves. The data set generated in this study can be used to build realistic digital rock models and to benchmark transport simulations that account deterministically for rock property heterogeneity.

Kurotori, Takeshi [Department of Chemical Engineer↗
NASA NTRS1998

Numerical Modeling of Physical Vapor Transport in Contactless Crystal Growth Geometry

Growth from the vapor under conditions of limited contact with the walls of the growth ampoule is beneficial for the quality of the growing crystal due to reduced stress and contamination which may be caused by interactions with the growth container. The technique may be of a particular interest for studies on crystal growth under microgravity conditions: elimination of some factors affecting the crystal quality may make interpretation of space-conducted processes more conclusive and meaningful. For that reason, and as a part of our continuing studies on 'contactless' growth technique, we have developed a computational model of crystal growth process in such system. The theoretical model was built, and simulations were performed using the commercial computational fluid dynamics code, (CFD) ACE. The code uses an implicit finite volume formulation with a gray discrete ordinate method radiation model which accounts for the diffuse absorption and reflection of radiation throughout the furnace. The three-dimensional model computes the heat transfer through the crystal, quartz, and gas both inside and outside the ampoule, and mass transport from the source to the crystal and the sink. The heat transport mechanisms by conduction, natural convection, and radiation, and mass transport by diffusion and convection are modeled simultaneously and include the heat of the phase transition at the solid-vapor interfaces. As the thermal boundary condition, temperature profile along the walls of the furnace is used. For different thermal profiles and furnace and ampoule dimensions, the crystal growth rate and development of the crystal-vapor and source-vapor interfaces (change of the interface shape and location with time) are obtained. Super/under-saturation in the ampoule is determined and critical factors determining the 'contactless' growth conditions are identified and discussed. The relative importance of the ampoule dimensions and geometry, the furnace dimensions and its temperature, and the properties of the grown material are analyzed. The results of the simulations are compared with related experimental results on growth of CdTe, CdZnTe, ZnTe, PbTe, and PbSnTe crystals by this technique.

Palosz, W.↗