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At least 271 records · Page 15

Thermodynamic perspectives and the origin of life

A qualitative appraisal of a recently enlarged laboratory model for macromolecular and cellular origins is given. The experiments were performed under geologically relevant conditions, i.e., with irreversible thermodynamics, emphasizing open systems and changes in phase. It was found that heating appropriate nonneutral alpha-amino acids with other alpha-amino acids yields partly branched, mainly linear, copolymeric peptides incorporating some of the alpha-amino acids that would of themselves decompose. The resultant copolyamino acids display a high degree of internal order, enzymelike activities, enzymelike characteristics, and a tendency to form a kind of cell having many of the properties of contemporary cells.

Fox, S. W.↗

A simplified model of high pressure spray combustion

A simplified model of high-pressure spray combustion is examined. The analysis relies on a kappa-epsilon-g turbulence model in conjunction with the locally homogeneous flow (LHF) approximation of two-phase flow, which implies infinitely fast transport rates between the phases. High-pressure phenomena near the thermodynamic critical point are treated using the Redlich-Kwong equation of state. Predictions are compared with existing measurements of spray boundaries in a pressure-atomized n-pentane spray (Sauter mean diameter, approximately 30 microns) burning in stagnant air at 3, 6, and 9 MPa. The LHF model overestimates the rate of development of the flow, yielding spray lengths roughly 20% shorter than measured. Calibrated drop-life-history calculations suggest that finite interphase transport rates are the primary cause of the discrepancy.

Mao, C.-P.↗

Homogeneous crystal nucleation in binary metallic melts

A method for calculating the homogeneous crystal nucleation frequency in binary metallic melts is developed. The free energy of crystallization is derived from regular solution models for the liquid and solid and is used, together with model-based estimates of the interfacial tension, to calculate the nucleation frequency from the classical theory. The method can account for the composition dependence of the maximum undercooling observed in a number of experiments on small droplet dispersions. It can also be used to calculate the driving force for crystal growth and to obtain more precise estimates of the homogeneous crystal nucleation frequency in glass-forming alloys. This method, although approximate, is simple to apply, and requires only knowledge of the phase diagram and a few readily available thermodynamic quantities as input data.

Thompson, C. V.↗

Computer program for calculation of complex chemical equilibrium compositions and applications. Part 1: Analysis

This report presents the latest in a number of versions of chemical equilibrium and applications programs developed at the NASA Lewis Research Center over more than 40 years. These programs have changed over the years to include additional features and improved calculation techniques and to take advantage of constantly improving computer capabilities. The minimization-of-free-energy approach to chemical equilibrium calculations has been used in all versions of the program since 1967. The two principal purposes of this report are presented in two parts. The first purpose, which is accomplished here in part 1, is to present in detail a number of topics of general interest in complex equilibrium calculations. These topics include mathematical analyses and techniques for obtaining chemical equilibrium; formulas for obtaining thermodynamic and transport mixture properties and thermodynamic derivatives; criteria for inclusion of condensed phases; calculations at a triple point; inclusion of ionized species; and various applications, such as constant-pressure or constant-volume combustion, rocket performance based on either a finite- or infinite-chamber-area model, shock wave calculations, and Chapman-Jouguet detonations. The second purpose of this report, to facilitate the use of the computer code, is accomplished in part 2, entitled 'Users Manual and Program Description'. Various aspects of the computer code are discussed, and a number of examples are given to illustrate its versatility.

Gordon, Sanford↗

The Physics of Protein Crystallization

This paper covers review of recent research on protein crystal properties, nucleation, growth and perfection. Mechanical properties of crystals built of molecules strongly exceeding the range of molecular forces are very different from conventional ones. Similar scaling is responsible for specificity of phase equilibrium for macromolecular systems of which thermodynamics is discussed. Nucleation and growth peculiarity and similarity in protein solutions as compared to inorganic solutions is addressed. Hypotheses on why and when microgravity (lack of convection) conditions may result in more perfect crystals are discussed.

Vekilov, P. G.↗

Upper Stage Tank Thermodynamic Modeling Using SINDA/FLUINT

Modeling to predict the condition of cryogenic propellants in an upper stage of a launch vehicle is necessary for mission planning and successful execution. Traditionally, this effort was performed using custom, in-house proprietary codes, limiting accessibility and application. Phenomena responsible for influencing the thermodynamic state of the propellant have been characterized as distinct events whose sequence defines a mission. These events include thermal stratification, passive thermal control roll (rotation), slosh, and engine firing. This paper demonstrates the use of an off the shelf, commercially available, thermal/fluid-network code to predict the thermodynamic state of propellant during the coast phase between engine firings, i.e. the first three of the above identified events. Results of this effort will also be presented.

Schallhorn, Paul↗

Development of nontoxic heat transport fluids for habitat two-phase thermal control systems

A computational chemistry approach based on pattern recognition techniques is used to correlate molecules thermodynamic and chemical properties with its molecular structure. The potential to develop a suitable two-phase nontoxic heat transport working fluid for the spacecraft habitat environment is discussed. It is concluded that the perfluorocarbons represent a potentially useful class to consider as a source of the working fluids because of their low toxicity, thermal stability, and chemical inertness. The ADAPT software program is considered to be adequate to make structural and property predictions.

Parrish, Clyde F.↗

Thermodynamic Activity Measurements with Knudsen Cell Mass Spectrometry

Coupling the Knudsen effusion method with mass spectrometry has proven to be one of the most useful experimental techniques for studying the equilibrium between condensed phases and complex vapors. The Knudsen effusion method involves placing a condensed sample in a Knudsen cell, a small "enclosure", that is uniformly heated and held until equilibrium is attained between the condensed and vapor phases. The vapor is continuously sampled by effusion through a small orifice in the cell. A molecular beam is formed from the effusing vapor and directed into a mass spectrometer for identification and pressure measurement of the species in the vapor phase. Knudsen cell mass spectrometry (KCMS) has been used for nearly fifty years now and continues to be a leading technique for obtaining thermodynamic data. Indeed, much of the well-established vapor specie data in the JANAF tables has been obtained from this technique. This is due to the extreme versatility of the technique. All classes of materials can be studied and all constituents of the vapor phase can be measured over a wide range of pressures (approximately 10(exp -4) to 10(exp -11) bar) and temperatures (500-2800 K). The ability to selectively measure different vapor species makes KCMS a very powerful tool for the measurement of component activities in metallic and ceramic solutions. Today several groups are applying KCMS to measure thermodynamic functions in multicomponent metallic and ceramic systems. Thermodynamic functions, especially component activities, are extremely important in the development of CALPHAD (Calculation of Phase Diagrams) type thermodynamic descriptions. These descriptions, in turn, are useful for modeling materials processing and predicting reactions such as oxide formation and fiber/matrix interactions. The leading experimental methods for measuring activities are the Galvanic cell or electro-motive force (EMF) technique and the KCMS technique. Each has specific advantages, depending on material and conditions. The EMF technique is suitable for lower temperature measurements, provided a suitable cell can be constructed. KCMS is useful for higher temperature measurements in a system with volatile components. In this paper, we briefly review the KCMS technique and identify the major experimental issues that must be addressed for precise measurements. These issues include temperature measurements, cell material and cell design and absolute pressure calibration. The resolution of these issues are discussed together with some recent examples of measured thermodynamic data.

Copland, Evan H.↗

Comparisons of CFD Simulations of Icing Wind Tunnel Clouds with Experiments Conducted at the NASA Propulsions Systems Laboratory

This paper evaluates simulation predictions against experimental test data of icing clouds that were produced during 2018 ice crystal icing physics tests conducted at the NASA Propulsion Systems Laboratory icing wind tunnel. Aero-thermal and cloud parameters are set and known upstream at the tunnel inlet and spray system, but change as the cloud and air thermodynamically interact as the flowing masses reach the tunnel test section. Utilizing the ANSYS Fluent Discrete Phase Model function, 3D computational fluid dynamics (CFD) simulations were performed, capturing the thermodynamic interactions between the test parameters, and providing predictions of the aero thermal and cloud conditions at the tunnel test section. Simulation predictions were compared with test data that were measured at the tunnel exit plane. Evaluations focused on the cloud concentration (total water content), humidity content, and air temperature. CFD simulation predictions showed areas of agreement and disagreement. Simulations showed that cloud concentration profiles at the test section are strongly related to the initial spray nozzle pattern used at the tunnel inlet. Experimental data suggest that greater dispersion of the cloud occurred as the simulated cloud predicted areas of high and low cloud concentration compared to test data profiles. Simulations, however, captured the magnitude and location of the change in humidity content and the change in air temperature due to the presence of the cloud reasonably well, when compared to test data. This result would suggest that while the ANSYS simulation did not fully predict the spreading of the cloud as measured during experiment, it did capture evaporation and the molecular movements of air and vapor relatively well.

CFD↗

Comparisons of CFD Simulations of Icing Wind Tunnel Clouds with Experiments Conducted at the NASA Propulsions Systems Laboratory

This paper evaluates simulation predictions against experimental test data of icing clouds that were produced during 2018 ice crystal icing physics tests conducted at the NASA Propulsion Systems Laboratory icing wind tunnel. Aero-thermal and cloud parameters are set and known upstream at the tunnel inlet and spray system, but change as the cloud and air thermodynamically interact as the flowing masses reach the tunnel test section. Utilizing the ANSYS Fluent Discrete Phase Model function, 3D computational fluid dynamics (CFD) simulations were performed, capturing the thermodynamic interactions between the test parameters, and providing predictions of the aero thermal and cloud conditions at the tunnel test section. Simulation predictions were compared with test data that were measured at the tunnel exit plane. Evaluations focused on the cloud concentration (total water content), humidity content, and air temperature. CFD simulation predictions showed areas of agreement and disagreement. Simulations showed that cloud concentration profiles at the test section are strongly related to the initial spray nozzle pattern used at the tunnel inlet. Experimental data suggest that greater dispersion of the cloud occurred as the simulated cloud predicted areas of high and low cloud concentration compared to test data profiles. Simulations, however, captured the magnitude and location of the change in humidity content and the change in air temperature due to the presence of the cloud reasonably well, when compared to test data. This result would suggest that while the ANSYS simulation did not fully predict the spreading of the cloud as measured during experiment, it did capture evaporation and the molecular movements of air and vapor relatively well.

CFD↗

Interactions between HCl, NO(x), and H2O ice in the Antarctic stratosphere - Implications for ozone

The role of PSC particles in determining the distributions of HCl and chlorine radicals is studied. The thermodynamics of HCl in ice is discussed, showing that significant quantities of HCl may be dissolved in ice when PSCs form. It is argued that HCl and HNO3 will be removed from the gas phase early in the condensation process, when only small quantities of H2O have been condensed, reflecting the thermodynamic properties of the solid phases of HCl, HNO3, and H2O. Rapid heterogeneous chemical reactions then volatilize reactive chlorine gases and convert NO(x) to solid-phase nitrates, which can be removed by gravitational settling. Analysis of the suite of heterogeneous chemical processes in the polar stratosphere implies a threshold for HCl concentrations, above which chemical loss rates for ozone increase dramatically.

Wofsy, S. C.↗

Analysis of Two-Phase Flow in Damper Seals for Cryogenic Turbopumps

Cryogenic damper seals operating close to the liquid-vapor region (near the critical point or slightly su-cooled) are likely to present two-phase flow conditions. Under single phase flow conditions the mechanical energy conveyed to the fluid increases its temperature and causes a phase change when the fluid temperature reaches the saturation value. A bulk-flow analysis for the prediction of the dynamic force response of damper seals operating under two-phase conditions is presented as: all-liquid, liquid-vapor, and all-vapor, i.e. a 'continuous vaporization' model. The two phase region is considered as a homogeneous saturated mixture in thermodynamic equilibrium. Th flow in each region is described by continuity, momentum and energy transport equations. The interdependency of fluid temperatures and pressure in the two-phase region (saturated mixture) does not allow the use of an energy equation in terms of fluid temperature. Instead, the energy transport is expressed in terms of fluid enthalpy. Temperature in the single phase regions, or mixture composition in the two phase region are determined based on the fluid enthalpy. The flow is also regarded as adiabatic since the large axial velocities typical of the seal application determine small levels of heat conduction to the walls as compared to the heat carried by fluid advection. Static and dynamic force characteristics for the seal are obtained from a perturbation analysis of the governing equations. The solution expressed in terms of zeroth and first order fields provide the static (leakage, torque, velocity, pressure, temperature, and mixture composition fields) and dynamic (rotordynamic force coefficients) seal parameters. Theoretical predictions show good agreement with experimental leakage pressure profiles, available from a Nitrogen at cryogenic temperatures. Force coefficient predictions for two phase flow conditions show significant fluid compressibility effects, particularly for mixtures with low mass content of vapor. Under these conditions, an increase on direct stiffness and reduction of whirl frequency ratio are shown to occur. Prediction of such important effects will motivate experimental studies as well as a more judicious selection of the operating conditions for seals used in cryogenic turbomachinery.

Arauz, Grigory L.↗

Magnetotail dynamics under isobaric constraints

Using linear theory and nonlinear MHD simulations, we investigate the resistive and ideal MHD stability of two-dimensional plasma configurations under the isobaric constraint dP/dt = 0, which in ideal MHD is equivalent to conserving the pressure function P = P(A), where A denotes the magnetic flux. This constraint is satisfied for incompressible modes, such as Alfven waves, and for systems undergoing energy losses. The linear stability analysis leads to a Schroedinger equation, which can be investigated by standard quantum mechanics procedures. We present an application to a typical stretched magnetotail configuration. For a one-dimensional sheet equilibrium characteristic properties of tearing instability are rediscovered. However, the maximum growth rate scales with the 1/7 power of the resistivity, which implies much faster growth than for the standard tearing mode (assuming that the resistivity is small). The same basic eigen-mode is found also for weakly two-dimensional equilibria, even in the ideal MHD limit. In this case the growth rate scales with the 1/4 power of the normal magnetic field. The results of the linear stability analysis are confirmed qualitatively by nonlinear dynamic MHD simulations. These results suggest the interesting possibility that substorm onset, or the thinning in the late growth phase, is caused by the release of a thermodynamic constraint without the (immediate) necessity of releasing the ideal MHD constraint. In the nonlinear regime the resistive and ideal developments differ in that the ideal mode does not lead to neutral line formation without the further release of the ideal MHD constraint; instead a thin current sheet forms. The isobaric constraint is critically discussed. Under perhaps more realistic adiabatic conditions the ideal mode appears to be stable but could be driven by external perturbations and thus generate the thin current sheet in the late growth phase, before a nonideal instability sets in.

Birn, Joachim↗

Beamline Electrostatic Levitator (BESL) for in-situ High Energy K-Ray Diffraction Studies of Levitated Solids and Liquids at High Temperature

Determinations of the phase formation sequence, the crystal structures and the thermodynamic properties of materials at high temperatures are difficult because of contamination from the sample container and environment. Containerless processing techniques, such as electrostatic (ESL), electromagnetic (EML), aerodynamic, and acoustic levitation, are most suitable these studies. An adaptation of ESL for in-situ structural studies of a wide range of materials, including metals, semiconductors, insulators using high energy (125 keV) synchrotron x-rays is described here. This beamline ESL (BESL) allows the in-situ determination of the atomic structures of equilibrium solid and liquid phases, including undercooled liquids, as well as real-time studies of solid-solid and liquid-solid phase transformations. The use of image plate (MAR345) or GE-Angio detectors enables fast (30 ms - 1s) acquisition of complete diffraction patterns over a wide q-range (4 - 140/mm). The wide temperature range (300 - 2500 K), containerless processing under high vacuum (10(exp -7) - 10(exp -8) torr), and fast data acquisition, make BESL particularly suitable for phase diagram studies of high temperature materials. An additional, critically important, feature of BESL is the ability to also make simultaneous measurement of a host of thermo-physical properties, including the specific heat, enthalpy of transformation, solidus and liquidus temperatures, density, viscosity, and surface tension; all on the same sample and simultaneous with the structural measurements.

Gangopadhyay, A. K.↗

Convection and Easterly Wave Structure Observed in the Eastern Pacific Warm-Pool during EPIC-2001

During September-October 2001, the East Pacific Investigation of Climate Processes in the Coupled Ocean-Atmosphere System (EPIC-2001) ITCZ field campaign focused on studies of deep convection in the warm-pool region of the East Pacific. In addition to the TAO mooring array, observational platforms deployed during the field phase included the NOAA ship RN Ronald H. Brown, the NSF ship RN Horizon, and the NOAA P-3 and NCAR C-130 aircraft. This study combines C-band Doppler radar, rawinsonde, and surface heat flux data collected aboard the RN Brown to describe ITCZ convective structure and rainfall statistics in the eastern Pacific as a function of 3-5 day easterly wave phase. Three distinct easterly wave passages occurred during EPIC-2001. Wind and thermodynamic data reveal that the wave trough axes exhibited positively correlated U and V winds and a slight westward phase tilt with height. A relatively strong (weak) northeasterly deep tropospheric shear followed the trough (ridge) axis. Temperature and humidity perturbations exhibited mid-to upper level cooling (warming) and drying (moistening) in the northerly (trough and southerly) phase. At low levels warming (cooling) occurred in the northerly (southerly) phase with little change in the relative humidity, though mixed layer mixing ratios were larger during the northerly phase. When composited, radar, sounding, lightning and surface heat flux observations suggest the following systematic behavior as a function of wave phase: approximately zero to one quarter wavelength ahead of (behind) the wave trough in northerly (southerly) flow, larger (smaller) CAPE, lower (higher) CIN, weaker (stronger) tropospheric shear, higher (lower) conditional mean rain rates, higher (lower) lightning flash densities, and more (less) robust convective vertical structure occurred. Latent and sensible heat fluxes reached a minimum in the northerly phase and then increased through the trough, reaching a peak during the ridge phase (leading the peak in CAPE). From a radar echo coverage perspective, larger areas of light rain and slightly larger (10%) area averaged rain rates occurred in the vicinity of, and just behind, the trough axes in southerly flow. Importantly, the transition in convective structure observed across the trough axis when considered with the relatively small change in area mean rain rates suggests the presence of a transition in the vertical structure of diabatic heating across the easterly waves examined. The inferred transition in heating structure is supported by radar diagnosed divergence profiles that exhibit convective (stratiform) characteristics ahead of (behind) the trough.

Peterson, Walter A.↗

Defect Clustering and Nano-Phase Structure Characterization of Multi-Component Rare Earth Oxide Doped Zirconia-Yttria Thermal Barrier Coatings

Advanced oxide thermal barrier coatings have been developed by incorporating multi- component rare earth oxide dopants into zirconia-yttria to effectively promote the creation of the thermodynamically stable, immobile oxide defect clusters and/or nano-scale phases within the coating systems. The presence of these nano-sized defect clusters has found to significantly reduce the coating intrinsic thermal conductivity, improve sintering resistance, and maintain long-term high temperature stability. In this paper, the defect clusters and nano-structured phases, which were created by the addition of multi-component rare earth dopants to the plasma- sprayed and electron-beam physical vapor deposited thermal barrier coatings, were characterized by high-resolution transmission electron microscopy (TEM). The defect cluster size, distribution, crystallographic and compositional information were investigated using high-resolution TEM lattice imaging, selected area diffraction (SAD), and energy dispersive spectroscopy (EDS) analysis techniques. The results showed that substantial defect clusters were formed in the advanced multi-component rare earth oxide doped zirconia-yttria systems. The size of the oxide defect clusters and the cluster dopant segregation was typically ranging fiom 5 to 50 nm. These multi-component dopant induced defect clusters are an important factor for the coating long-term high temperature stability and excellent performance.

Zhu, Dongming↗

Defect Clustering and Nano-Phase Structure Characterization of Multi-Component Rare Earth Oxide Doped Zirconia-Yttria Thermal Barrier Coatings

Advanced oxide thermal barrier coatings have been developed by incorporating multi-component rare earth oxide dopants into zirconia-yttria to effectively promote the creation of the thermodynamically stable, immobile oxide defect clusters and/or nano-scale phases within the coating systems. The presence of these nano-sized defect clusters has found to significantly reduce the coating intrinsic thermal conductivity, improve sintering resistance, and maintain long-term high temperature stability. In this paper, the defect clusters and nano-structured phases, which were created by the addition of multi-component rare earth dopants to the plasma-sprayed and electron-beam physical vapor deposited thermal barrier coatings, were characterized by high-resolution transmission electron microscopy (TEM). The defect cluster size, distribution, crystallographic and compositional information were investigated using high-resolution TEM lattice imaging, selected area diffraction (SAD), electron energy-loss spectroscopy (EELS) and energy dispersive spectroscopy (EDS) analysis techniques. The results showed that substantial defect clusters were formed in the advanced multi-component rare earth oxide doped zirconia- yttria systems. The size of the oxide defect clusters and the cluster dopant segregation was typically ranging from 5 to 50 nm. These multi-component dopant induced defect clusters are an important factor for the coating long-term high temperature stability and excellent performance.

Zhu, Dongming↗

Frequency-dependent hydrodynamic inductance and the determination of the thermal and quantum noise of a superfluid gyroscope

We reexamine mass flow in a superfluid gyroscope containing a superfluid Josephson weak link. We introduce a frequency-dependent hydrodynamic inductance to account for an oscillatory flow of the normal fluid component in the sensing loop. With this hydrodynamic inductance, we derive the thermal phase noise, and hence the thermal rotational noise of the gyroscope. We examine the thermodynamic stability of the system based on an analysis of the free energy. We derive a quantum phase noise, which is analogous to the zero-point motion of a simple harmonic oscillator. The configuration of the studied gyroscope is analogous to a conventional superconducting RF SQUID. We show that the gyroscope has very low intrinsic noise (1.9x10(-13) rad s(-1)/root Hz), and it can potentially be applied to study general relativity, Earth science, and to improve global positioning systems (GPS).

Penanen, Konstantin↗