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At least 199 records · Page 11

Parallel Grand Canonical Monte Carlo (ParaGrandMC) Simulation Code

This report provides an overview of the Parallel Grand Canonical Monte Carlo (ParaGrandMC) simulation code. This is a highly scalable parallel FORTRAN code for simulating the thermodynamic evolution of metal alloy systems at the atomic level, and predicting the thermodynamic state, phase diagram, chemical composition and mechanical properties. The code is designed to simulate multi-component alloy systems, predict solid-state phase transformations such as austenite-martensite transformations, precipitate formation, recrystallization, capillary effects at interfaces, surface absorption, etc., which can aid the design of novel metallic alloys. While the software is mainly tailored for modeling metal alloys, it can also be used for other types of solid-state systems, and to some degree for liquid or gaseous systems, including multiphase systems forming solid-liquid-gas interfaces.

Vesselin I Yamakov↗

Parallel Grand-Canonical Monte Carlo (ParaGrandMC) User’s Manual Version 2.0

This manual describes the commands and command line options for the Parallel Grand Canonical Monte Carlo version 2.0 (ParaGrandMC.2.0) simulation code. This is a highly scalable parallel FORTRAN 2003 code for simulating the thermodynamic evolution of materials at the atomic level, and predicting their thermodynamic state, phase diagram, chemical composition and mechanical properties. The code is specifically designed to simulate multi-component alloy systems, predict solid-state phase transformations such as austenite-martensite transformations, precipitate formation, recrystallization, capillary effects at interfaces, surface absorption, etc., which can aid the design of novel metallic alloys. While the software is mainly tailored for modeling metal alloys, it can also be used for other types of solid-state systems, and to some degree for liquid or gaseous systems, including multiphase systems forming solid-liquid-gas interfaces. In addition to performing Monte Carlo (MC) simulations, the code can also perform Molecular Dynamics (MD) and Langevin Dynamics (LD) simulations, which can be combined and interchanged with MC for faster and more efficient system evolution. A detailed description of the MC part of the code is provided in the NASA ParaGrandMC report: NASA/CR–2016-219202; http://www.sti.nasa.gov.

High performance computing↗

Liquid MHD power conversion

Liquid-metal magnetohydrodynamic power conversion system without rotating parts

MAGNETOHYDRODYNAMIC GENERATOR↗

Enzyme activity in terrestrial soil in relation to exploration of the Martian surface

Sensitive tests for the detection of extracellular enzyme activity in Martian soil was investigated using simulated Martian soil. Enzyme action at solid-liquid water interfaces and at low humidity were studied, and a kinetic scheme was devised and tested based on the growth of microorganisms and the oxidation of ammonium nitrite.

Mclaren, A. D.↗

Thermal evolution of a differentiated Ganymede and implications for surface features

Thermodynamic models are developed for the processes which controlled the evolution of the surface Ganymede, an icy Jovian satellite assumed to have a rock-rich core surrounded by a water-ice mantle. Account is taken of a heat pulse which would have arisen from a Rayleigh-Taylor instability at a deep-seated liquid-solid water interface, rapid fracturing from global stresses imposed by warm ice diapiric upwelling, impacts by large meteorites, and resurfacing by ice flows (rather than core formation). Comparisons are made with existing models for the evolution of Callisto, and the difficulties in defining a mechanism which produced the groove terrain of Ganymede are discussed.

Kirk, R. L.↗

Determination of the dispersion constant in a constrained vapor bubble thermosyphon

The isothermal profiles of the extended meniscus in a quartz cuvette were measured in a gravitational field using an image analyzing interferometer which is based on computer enhanced video microscopy of the naturally occurring interference fringes. The experimental results for heptane and pentane menisci were analyzed using the extended Young-Laplace equation. These isothermal results characterized the interfacial force field in-situ at the start of the heat transfer experiments by quantifying the dispersion constant, which is a function of the liquid-solid system and cleaning procedures. The experimentally obtained values of the disjoining pressure and the dispersion constants were compared to that predicted from the DLP theory and good agreements were obtained. The measurements are critical to the subsequent non-isothermal experiments because one of the major variables in the heat sink capability of the CVBT is the dispersion constant. In all previous studies of micro heat pipes the value of the dispersion constant has been 'guesstimated'. One of the major advantages of the current glass cell is the ability to view the extended meniscus at all times. Experimentally. we find that the extended Young-Laplace equation is an excellent model for the force field at the solid-liquid-vapor interfaces.

Dasgupta, SUNANDO.↗

Interfacial force field characterization of a constrained vapor bubble thermosyphon using IAI

The isothermal profiles of the extended meniscus in a quartz cuvette were measured in a gravitational field using IAI (image analyzing interferometer) which is based on computer enhanced video microscopy of the naturally occurring interference fringes. The experimental results for heptane and pentane menisci were analyzed using the extended Young-Laplace Equation. These isothermal results characterized the interfacial force field in-situ at the start of the heat transfer experiments by quantifying the dispersion constant for the specific liquid-solid system. The experimentally obtained values of the disjoining pressures and the dispersion constants are compared to the subsequent non-isothermal experiments because one of the major variables in the heat sink capability of the CVBT is the dispersion constant. In all previous studies of micro heat pipes the value of the dispersion constant has been 'guesstimated'. The major advantages of the current glass cell is the ability to view the extended meniscus at all times. Experimentally, we find that the extended Young-Laplace Equation is an excellent model for for the force field at the solid-liquid vapor interfaces.

Dasgupta, Sunando↗

Determination of the dispersion constant in a constrained vapor bubble thermosyphon

The isothermal profiles of the extended meniscus in a quartz cuvette were measured in a gravitational field using an image analyzing interferometer which is based on computer enhanced video microscopy of the naturally occurring interference fringes. The experimental results for heptane and pentane menisci were analyzed using the extended Young Laplace Equation. These isothermal results characterized the interfacial force field in-siru at the start of the heat transfer experiments by quantifying the dispersion constant, which is a function of the liquid-solid system and cleaning procedures. The experimentally obtained values of the disjoining pressure and the dispersion constants were compared to that predicted from the DLP theory and good agreements were obtained. The measurements are critical to the subsequent non-isothermal experiments because one of the major variables in the heat sink capability of the Constrained Vapor Bubble Thermosyphon, CVBT, is the dispersion constant. In all previous studies of micro heat pipes the value of the dispersion constant has been 'estimated'. One of the major advantages of the current glass cell is the ability to view the extended meniscus at all times. Experimentally, we find that the extended Young-Laplace Equation is an excellent model for the force field at the solid-liquid-vapor interfaces.

Dasgupta, Sunando↗

Growth of Bulk Single Crystals of Dicyanovinyl-Ansiole and its Derivatives for Nonlinear Optical Applications

Bulk single crystals of a series of thermally stable nonlinear optical organic materials, Dicyanovinyl-anisole (DIVA) and their methoxy derivatives, have been successfully grown using the Bridgman-Stockbarger technique. The growth conditions are chosen to be temperature gradient of 5 to 10 C/cm and lowering rate of 0.1 to 0.3 mm/h. Single crystals of DIVA and its derivatives, of 8 x 8 x 50 cu mm in size, have been grown while maintaining a flat solid-liquid growth interface.

Gebre, T.↗

Crystal Growth in the SUBSA furnace in MSG: 2002 to 2022

In 2002, the investigation “Solidification Using a Baffle In Sealed Ampoules (SUBSA)” was the first investigation to utilize the Microgravity Science Glovebox (MSG) Facility on the International Space Station (ISS). The SUBSA furnace was designed for growth of indium antimonide. It features a transparent section, which allows a side view of the melt, the solid-liquid (SL) interface and the growing crystal. In 2002, four Te-doped and three Zn-doped InSb crystals were grown in microgravity. Subsequently, the SUBSA furnace was used in several materials science investigations, including growing the radiation detector materials, InI and Cs2LiYCl6:Ce from the melt and vapor phase (2017 to 2019) and “Brazing of Aluminum alloys in Space (BRAINS)”. A review of the SUBSA furnace features and parameters will be presented, including the design of the growth ampoules, charge preparation, and the procedures used to grow InSb (in 2002) and InI (in 2019).

Aleksandar Ostrogorsky↗

Crystal Growth in the SUBSA furnace at the International Space Station (ISS)

In 2002, our investigation Solidification Using a Baffle In Sealed Ampoules (SUBSA) was the first investigation to utilize the Microgravity Science Glovebox (MSG) Facility on the International Space Station (ISS). The SUBSA furnace was designed for growth of indium antimonide. It features a transparent section, which allows a side view of the melt, the solid-liquid (SL) interface and the growing crystal. In 2002, four Te- doped and three Zn-doped InSb crystals were grown in microgravity. Subsequently, the SUBSA furnace was used in several other materials science investigations, including growing the radiation detector materials InI and Cs2LiYCl6:Ce from the melt and vapor phase (2017 to 2019) and Brazing of Aluminum alloys in Space (BRAINS). A review of the SUBSA furnace features and parameters will be presented, including the design of the growth ampoules, charge preparation, and the procedures used to grow InSb (in 2002) and InI (in 2019).

A.G. Ostrogorsk↗

Thermophysical Property Measurements of Molten Semiconductors in 1-g and Reduced-g Condition

Understanding and controlling the formation kinetics of varieties of crystal imperfections such as point defects, non uniform distribution of doping atoms, and impurity atoms in growing crystals are very important. Theoretical (numerical) modeling of the crystal growth process is an essential step to achieving these objectives. In order to obtain reliable modeling results, input parameters, i.e. various thermophysical parameters, must be accurate. The importance of accurate thermophysical properties of semiconductors in crystal growth cannot be overly emphasized. The total hemispherical emissivity, for instance, has a dramatic impact on the thermal environment. It determines the radiative emission from the surface of the melt which determines to a large extent the profile of the solidified crystal. In order to understand the convection and the turbulence in a melt, viscosity becomes an important parameter. The liquid surface tension determines the shape of the liquid-atmosphere interface near the solid-liquid-atmosphere triple point. Currently used values for these parameters are rather inaccurate, and this program intends to provide more reliable measurements of these thermophysical properties. Thus, the objective of this program is in the accurate measurements of various thermophysical properties which can be reliably used in the modeling of various crystal growth processes. In this program, thermophysical properties of molten semiconductors, such as Si, Ge, Si-Ge, and InSb will be measured as a function of temperature using the High Temperature Electrostatic Levitator at JPL. Each material will be doped by different kinds of impurities at various doping levels. Thermophysical properties which will be measured include: density, thermal expansion coefficient, surface tension, viscosity, specific heat, hemispherical total emissivity, and perhaps electrical and thermal conductivities. Many molten semiconductors are chemically reactive with crucibles. As a result, these dispersed impurities in the melts tend to substantially modify the properties of pure semiconductors. Sample levitation done in a vacuum clearly helps maintain the sample purity. However, in the 1-g environment, all gravity caused effects such as convection, sedimentation and buoyancy are still present in the sample. In addition, large forces needed to levitate a sample in the presence of the gravity can cause additional flows in the melt. The use of the High Temperature Electrostatic Levitator (HTESL) for the present research is a recent development and little is known about the flows induced by the electrostatic forces. In this ground base program, we will define the limits of HTESL technology as various thermophysical properties of molten semiconductors are measured.

Rhim, Won-Kyu↗

Control of Meridional Flow by a Non-Uniform Rotational Magnetic Field

The diffusive mass transfer of species during crystal growth in vertical ampoules is significantly affected by fluid flow in the liquid mother phase (melt). For electrically conductive melts, an elegant way of remotely inducing and controlling this flow is by utilizing a uniform rotational magnetic field (RMF) in the transverse direction. It induces an azimuthal flow which tends to homogenize the thermal and solutal fields. The rotating field also reduces the diffusion boundary layer, stabilizes temperature fluctuations, and promotes better overall crystal growth. For moderate strengths of the applied magnetic field (2-20 m Tesla) with frequencies of up to 400 Hz, the induced secondary meridional flow becomes significant. It typically consists of one roll at the bottom of the liquid column and a second roll (vortex) at the top. The flow along the centerline (ampoule axis) is directed from the growing solid (interface) towards the liquid (melt). In case of convex interfaces (e.g. in floating zone crystal growth) such flow behavior is beneficial since it suppresses diffusion at the center. However, for concave interfaces (e.g. vertical Bridgman crystal growth) such a flow tends to exacerbate the situation in making the interface shape more concave. It would be beneficial to have some control of this meridional flow- for example, a single recirculating cell with controllable direction and flow magnitude will make this technique even more attractive for crystal growth. Such flow control is a possibility if a non-uniform PNE field is utilized for this purpose. Although this idea has been proposed earlier, it has not been conclusively demonstrated so far. In this work, we derive the governing equations for the fluid dynamics for such a system and obtain solutions for a few important cases. Results from parallel experimental measurements of fluid flow in a mercury column subjected to non-uniform RMF will also be presented.

Mazuruk, Konstantin↗

Combustion experiments in space

Pivotal areas for needed combustion observations (available through space shuttle experimentation) include: (1) single- and two-phase premixed flame propagation and extinction limits; (2) noncoherent flame propagation and extinction; (3) autoignition of premixed single-phase and two-phase combustible reactants; (4) upper pressure limit combustion phenomena and ignition, propagation, and extinction processes in the neighborhood of such limits; (5) oscillatory combustion associated with the hydrocarbon-oxygen and with the carbon monoxide-oxygen systems; (6) two-phase flame spread and extinction involving lage liquid-gas or solid-gas interfaces; (7) radiative ignition of solids and liquids; (8) pool burning; (9) smoldering of solid combustibles and the associated transition to flaming or extinction; (10) laminar gas jet combustion; and (11) transient responses of combustible systems to time variation in gravitational field strengths. A number of these may be impacted by undesirably high g-jitter effects.

Berlad, A. L.↗

Noncontact temperature pattern measuring device

This invention relates to a noncontact imagine pyrometer system for obtaining the true temperature image of a given substance in a contactless fashion without making assumptions about localized emissivity of the substance or the uniformity of the temperature distribution. Such a contactless temperature imaging system has particular application in the study and production of many materials where the physical contact required to make a conventional temperature measurement drastically effects or contaminates the physical process being observed. Two examples where accurate temperature profiles are of critical interest are: (1) the solid-liquid phase change interface in the production of electronic materials and (2) metastable materials in the undercooling region. The apparent novelty resides in the recognition that an active pyrometer system may be advantageously adapted to perform contactless temperature imaging so that an accurate temperature profile can be obtained.

Elleman, D. D.↗