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At least 73 records · Page 4
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NASA NTRS2023

A 1D Model for Nucleation of Ice From Aerosol Particles: An Application to a Mixed-Phase Arctic Stratus Cloud Layer

Mixed-phase clouds (MPCs) have been identified as significant contributors to uncertainties in climate projections, attributable to model representation of processes controlling the formation and loss of supercooled water droplets and ice particles from the atmosphere. Arctic MPCs are commonly widespread and long-lived, with sustained ice crystal formation processes that challenge current understanding. This study examines the ice-nucleating particle (INP) reservoir dynamics governing immersion-mode heterogeneous freezing in an observed case of Arctic MPCs using a simplified 1D aerosol-cloud model. The model setup includes prescribed dynamical forcings and thermodynamic profiles, and represents INPs as multicomponent and polydisperse particle size distributions. Diagnostic and prognostic approaches to immersion freezing parameterization are compared, including time-independent (singular) number- and surface area-based descriptions and a time-dependent description following classical nucleation theory (CNT). The choice of freezing parameterization defines the size of the INP reservoir. The CNT-based description yields an orders of magnitude larger INP reservoir than the singular parameterizations, which is the dominant factor for sustained ice crystal formation. The efficiency of the freezing process and cloud cooling are of secondary importance. A diagnostic treatment neglecting INP loss is only accurate when the INP reservoir size is large and INP depletion weak. Since a larger INP reservoir sustains ice crystal formation substantially longer, and ice water path scales with ice crystal concentrations for the conditions considered, resolving the source of differences in INP reservoir dynamics due to model implementation is a high priority for advancing climate model physics.

aerosol↗
NASA NTRS1993

Extending model-based diagnosis for analog thermodynamical devices

The increasing complexity of process control applications have posed difficult problems in fault detection, isolation, and recovery. Deep knowledge-based approaches, such as model-based diagnosis, have offered some promise in addressing these problems. However, the difficulties of adapting these techniques to situations involving numerical reasoning and noise have limited the applicability of these techniques. This paper describes an extension of classical model-based diagnosis techniques to deal with sparse data, noise, and complex noninvertible numerical models. These diagnosis techniques are being applied to the External Active Thermal Control System for Space Station Freedom.

Rouquette, Nicolas↗
NASA NTRS2021

On the origin & thermal stability of Arrokoth's and Pluto's ice

In this paper we discuss in a thermodynamic, geologically empirical way the long-term nature of the stable majority ices that could be present in Kuiper Belt object (KBO) 2014 MU69 (also called Arrokoth; hereafter “MU(69)”) after its 4.6 Gyr residence in the Edgeworth-Kuiper belt (EKB) as a cold classical object. We compare the upper bounds for the gas production rate (~10^(24) molecules/s) measured by the New Horizons (NH) spacecraft flyby on 01 Jan 2019 to estimates for the outgassing flux rates from a suite of common cometary and KBO ices at the average ~ 40 K sunlit surface temperature of MU69, but do not find the upper limit very constraining except for the most volatile of species (e.g. CO, N2, CH4). More constraining is the stability versus sublimation into vacuum requirement over Myr to Gyr, and from this we find only 3 common ices that are truly refractory: HCN, CH3OH, and H2O (in order of increasing stability), while NH3 and H2CO ices are marginally stable and may be removed by any positive temperature excursions in the EKB, as produced every 10^(8)–10^(9) years by nearby supernovae and passing O/B stars. To date the NH team has reported the presence of abundant CH3OH and H2O on MU69's surface (Stern et al., 2019; Grundy et al., 2020). NH3 has been searched for, but not found. We predict that future absorption feature detections, if any are ever derived from higher signal-to-noise ratio spectra, will be due to an HCN or poly-H2CO based species. Consideration of the conditions present in the EKB region during the formation era of MU69 lead us to state that it is highly likely that it “formed in the dark”, in an optically thick mid-plane, unable to see the nascent, variable, highly luminous Young Stellar Object (YSO)/TTauri Sun, and that KBOs contain HCN and CH3OH ice phases in addition to the H2O ice phases found in their short period (SP) comet descendants. Finally, when we apply our ice thermal stability analysis to bodies/populations related to MU69, we find that methanol ice is likely ubiquitous in the outer solar system; that if Pluto isn't a fully differentiated body, then it must have gained its hypervolatile ices from proto-planetary disk (PPD) sources in the first few Myr of the solar system's existence; and that hypervolatile rich, highly primordial comet C/2016 R2 was placed onto an Oort Cloud orbit on a similar few Myr timescale.

Pluto↗
NASA NTRS2015

Thermodynamic Derivation of the Activation Energy for Ice Nucleation

Cirrus clouds play a key role in the radiative and hydrological balance of the upper troposphere. Their correct representation in atmospheric models requires an understanding of the microscopic processes leading to ice nucleation. A key parameter in the theoretical description of ice nucleation is the activation energy, which controls the flux of water molecules from the bulk of the liquid to the solid during the early stages of ice formation. In most studies it is estimated by direct association with the bulk properties of water, typically viscosity and self-diffusivity. As the environment in the ice-liquid interface may differ from that of the bulk, this approach may introduce bias in calculated nucleation rates. In this work a theoretical model is proposed to describe the transfer of water molecules across the ice-liquid interface. Within this framework the activation energy naturally emerges from the combination of the energy required to break hydrogen bonds in the liquid, i.e., the bulk diffusion process, and the work dissipated from the molecular rearrangement of water molecules within the ice-liquid interface. The new expression is introduced into a generalized form of classical nucleation theory. Even though no nucleation rate measurements are used to fit any of the parameters of the theory the predicted nucleation rate is in good agreement with experimental results, even at temperature as low as 190 K, where it tends to be underestimated by most models. It is shown that the activation energy has a strong dependency on temperature and a weak dependency on water activity. Such dependencies are masked by thermodynamic effects at temperatures typical of homogeneous freezing of cloud droplets; however, they may affect the formation of ice in haze aerosol particles. The new model provides an independent estimation of the activation energy and the homogeneous ice nucleation rate, and it may help to improve the interpretation of experimental results and the development of parameterizations for cloud formation.

Cirrus clouds↗
NASA NTRS1995

Structural Stability and gamma-Transitions

In this work, we review some new discoveries and physical interpretations that concern the secular and dynamical instabilities and the associated structural changes in rotating, self-gravitating, incompressible fluids. For such fluids, we have been able to examine in depth and to understand physically a variety of classic results. Here we discuss the structural stability and the lambda-transitions of astrophysical fluids. We conclude with a summary of all the different types of lambda-transitions found in the course of our investigation and with a discussion of the implications of our results for superfluids, catastrophes, thermodynamical phase transitions, and the breaking of symmetry and topology.

Christodoulou, Dimitris M.↗
NASA NTRS1976

Low-perigee aerodynamic heating during orbital flight of an atmosphere Explorer

An extensive, low-perigee orbital aerodynamic heating study was undertaken in support of the Atmosphere Explorer-C Temperature Alarm. State of the art of low-density, high-speed flows, some models of the earth's atmosphere, external flow-field definition, thermodynamic and transport properties of atmospheric gases, the accommodation coefficient orbital thermal environment, and correlation of theory and measurements are discussed. Aerodynamic heating rates are determined for eight selected orbits by means of a reduced, analytical model verified by both ground test and flight data. These heating rates are compared with classical free-molecule and first-order collision regime values.

Caruso, P. S., Jr.↗
NASA NTRS1978

Monte Carlo simulation of the classical two-dimensional one component plasma

Monte Carlo simulation, lattice dynamics in the harmonic approximation, and solution of the hypernetted chain equation were used to study the classical two-dimensional one component plasma. The system consists of a single species of charged particles immersed in a uniform neutralizing background. The particles interact via a l/r potential, where r is the two dimensional separation. Equations of state were calculated for both the liquid and solid phases. Results of calculation of the thermodynamic functions and one and two particle correlation functions are presented.

Gann, R. C.↗
NASA NTRS1979

Monte Carlo simulation of the classical two-dimensional one-component plasma

A Monte Carlo simulation, lattice dynamics in the harmonic approximation, and solution of the hypernetted chain equation are used to study the classical two-dimensional one-component plasma. A fluid phase is found for a specified dimensionless quantity, and a solid phase for higher values of this quantity. It is reported that the solid phase shows directional long range order, noting that in the solid phase positional long range order is lost as the thermodynamic limit is approached. Finally, the results of calculations of the thermodynamic functions and one- and two-particle correlation functions are presented.

Gann, R. C.↗
NASA NTRS2009

Complexity for Survival of Living Systems

A logical connection between the survivability of living systems and the complexity of their behavior (equivalently, mental complexity) has been established. This connection is an important intermediate result of continuing research on mathematical models that could constitute a unified representation of the evolution of both living and non-living systems. Earlier results of this research were reported in several prior NASA Tech Briefs articles, the two most relevant being Characteristics of Dynamics of Intelligent Systems (NPO- 21037), NASA Tech Briefs, Vol. 26, No. 12 (December 2002), page 48; and Self-Supervised Dynamical Systems (NPO- 30634) NASA Tech Briefs, Vol. 27, No. 3 (March 2003), page 72. As used here, living systems is synonymous with active systems and intelligent systems. The quoted terms can signify artificial agents (e.g., suitably programmed computers) or natural biological systems ranging from single-cell organisms at one extreme to the whole of human society at the other extreme. One of the requirements that must be satisfied in mathematical modeling of living systems is reconciliation of evolution of life with the second law of thermodynamics. In the approach followed in this research, this reconciliation is effected by means of a model, inspired partly by quantum mechanics, in which the quantum potential is replaced with an information potential. The model captures the most fundamental property of life - the ability to evolve from disorder to order without any external interference. The model incorporates the equations of classical dynamics, including Newton s equations of motion and equations for random components caused by uncertainties in initial conditions and by Langevin forces. The equations of classical dynamics are coupled with corresponding Liouville or Fokker-Planck equations that describe the evolutions of probability densities that represent the uncertainties. The coupling is effected by fictitious information-based forces that are gradients of the information potential, which, in turn, is a function of the probability densities. The probability densities are associated with mental images both self-image and nonself images (images of external objects that can include other agents). The evolution of the probability densities represents mental dynamics. Then the interaction between the physical and metal aspects of behavior is implemented by feedback from mental to motor dynamics, as represented by the aforementioned fictitious forces. The interaction of a system with its self and nonself images affords unlimited capacity for increase of complexity. There is a biological basis for this model of mental dynamics in the discovery of mirror neurons that learn by imitation. The levels of complexity attained by use of this model match those observed in living systems. To establish a mechanism for increasing the complexity of dynamics of an active system, the model enables exploitation of a chain of reflections exemplified by questions of the form, "What do you think that I think that you think...?" Mathematically, each level of reflection is represented in the form of an attractor performing the corresponding level of abstraction with more details removed from higher levels. The model can be used to describe the behaviors, not only of biological systems, but also of ecological, social, and economics ones.

Zak, Michail↗
NASA NTRS1982

Nucleation theory - Is replacement free energy needed?

It has been suggested that the classical theory of nucleation of liquid from its vapor as developed by Volmer and Weber (1926) needs modification with a factor referred to as the replacement free energy and that the capillary approximation underlying the classical theory is in error. Here, the classical nucleation equation is derived from fluctuation theory, Gibb's result for the reversible work to form a critical nucleus, and the rate of collision of gas molecules with a surface. The capillary approximation is not used in the derivation. The chemical potential of small drops is then considered, and it is shown that the capillary approximation can be derived from thermodynamic equations. The results show that no corrections to Volmer's equation are needed.

Doremus, R. H.↗
NASA NTRS1977

Concepts and methods for describing critical phenomena in fluids

The predictions of theoretical models for a critical-point phase transistion in fluids, namely the classical equation with third-degree critical isotherm, that with fifth-degree critical isotherm, and the lattice gas, are reviewed. The renormalization group theory of critical phenomena and the hypothesis of universality of critical behavior supported by this theory are discussed as well as the nature of gravity effects and how they affect cricital-region experimentation in fluids. The behavior of the thermodynamic properties and the correlation function is formulated in terms of scaling laws. The predictions of these scaling laws and of the hypothesis of universality of critical behavior are compared with experimental data for one-component fluids and it is indicated how the methods can be extended to describe critical phenomena in fluid mixtures.

Sengers, J. V.↗
NASA NTRS2020

Ultrafast Melting at Metal-Semiconductor Interfaces: A Molecular Dynamics Study

Quantifying the thermodynamics of interfacial melting is important for several applications such as laser machining and designing radiation hardened electronic devices. Due to the short time and length scales that are involved in the process, molecular simulations provide an ideal path for understating the interfacial melting phenomena. In this work we investigate tungsten (W) – silicon carbide (SiC) interfaces which are relevant in modern high-power electronic devices. Classical molecular dynamics simulations along with the two-temperature model (TTM) were used to study the radiation induced melting of the interface while a neural network-based machine learning framework was used to track the transient re-crystallization process. The damage endured by the semiconductor at the interface following the radiation event is discussed in detail while the re-crystallization of the metal is described in terms of the classical nucleation theory.

Ashwin Ravichandran↗
NASA NTRS2003

Small Signal Point-to-Point Tracking of a Propellant Mixer

This paper addresses some theoretical modelling and control issues for a mixing chamber used in rocket engine testing at NASA Stennis Space Center. The mixer is responsible for combining high pressure LH2 and GH2 to produce a hydrogen flow that meets certain thermodynamic properties before it is fed into a test article. The desired properties are maintained by precise control of the LH2 and GH2 flows. The mixer is modelled as a general multi-flow lumped volume for single constituent fluids using density and internal energy as states. The set of nonlinear differential equations is modelled in the SIMULINK environment including a table look-up feature of the fluid thermodynamic properties. a small-signal (linear) model is developed based on the nonlinear model and simulated as well. Pulse disturbances are introduced to the valve positions and the quality of the linear model is ascertained by comparing its behavior against the nonlinear model simulations. Valve control strategies that simulate an operator-in-the-loop scenario are then explored demonstrating the need for automatic feedback control. Finally, classical optimal single-output and multi-output Proportional/Integral controllers are designed based on the linear model and applied to the nonlinear model with excellent results to track simultaneous, constant setpoint changes in desired exit flow, exit temperature, and mixer pressure, as well as to reject unmeasurable but bounded additive step perturbations in the valve positions.

Barbieri, Enrique↗
NASA NTRS2003

Comparisons and Contrasts Between Mediterranean Flood-Producing Orographic Storms and Tropical Cyclones Modified by Complex Orography

Often, late-year, flood-producing storms in the Mediterranean Alps region arise from baroclinic disturbances developing on westerly longwaves, with the incipient storm circulations appearing well west of the flood zone. Regardless of the genesis locations and before the storms begin their flow interactions with the orography of the Mediterranean Alps, a process which can produce intense long-lived rainfall over the mountainous terrain of Italy and France, most of their moisture is drawn from warm Mediterranean waters while important elements of their thermodynamic structure are derived from airmass properties originating in north Africa and the Mediterranean basin itself. In fact, because of strong thermodynamic contrasts between the baroclinic zone producing the incipient disturbance and high potential temperature air from the south advecting into and wrapping around the storm center, a Mediterranean storm whose origins are from an evolving shortwave baroclinic perturbation, can become a quasi-warm core hybrid in term of its energetics composition, a process somewhat akin to the development of polar lows. This process begs the question of whether there are similarities between the autumn-winter season flood producing storms of the Mediterranean Alps and warm core tropical cyclones which become altered dynamically and thermodynamically by landfall over steep orographic terrain. This study investigates, from a comparison and contrast perspective, how the similarities and differences between the two types of storms manifest themselves over their respective life cycles. Before the orographically-induced precipitation-release stage in which both types of storm have evolved to the same hydrometeorlogical conclusion, the two storm categories are transforming from entirely distinctive origins, i.e., the classic eastward traveling, baroclinic mid-latitude cyclone forming in western Europe, and the classic eastward-traveling, warm core tropical cyclone developing in the western Pacific. The analyses use high resolution, nonhydrostatic model simulations, satellite data, and various types of ground data to conduct the study. The flood events of Piemonte- 2000 in northern Italy and Typhoon Rusa-2002 in South Korea are selected to focus the analysis on well documented meteorological events.

Smith, Eric A.↗
NASA NTRS1973

A general relaxation theory of simple liquids

A relatively simple relaxation theory to account for the behavior of liquids under dynamic conditions was proposed. The general dynamical equations are similar in form to the phenomenological relaxation equations used in theories of viscoelasticity, however, they differ in that all the coefficients of the present equations are expressed in terms of thermodynamic and molecular quantities. The theory is based on the concept that flow in a liquid distorts both the radial and the velocity distribution functions, and that relaxation equations describing the return of these functions to their isotropic distributions, characterizing a stationary liquid, can be written. The theory was applied to the problems of steady and oscillatory shear flows and to the propagation of longitudinal waves. In all cases classical results are predicted for strain rates, and an expression for the viscosity of a liquid, simular to the Macedo-Litovitz equation, is obtained.

Merilo, M.↗
NASA NTRS1999

Driving Stresses in Mars Polar Ice Caps and Conditions for Ice Flow

Measurements of the topography of the North polar ice cap by the Mars Orbiter Laser Altimeter (MOLA) show that the ice cap is 2950 +/- 200 meters thick. The volume of the cap is about 1.2 x 10(exp 6) cu km covering an area of 1.04 x 10(exp 6) sq km, which is about 40 percent of the Greenland ice sheet in volume and 62 percent in area. The composition of the Northern cap was previously concluded to be predominately H2O, rather than CO2 ice, based on thermodynamic considerations of the insustainablity of CO2 during summer. Principal questions about the cap are: does the ice move and at what rate, is the cap currently growing or depleting in volume, and how and when was the cap formed? Recent research on terrestrial ice sheets indicates that rates of ice deformation at the low stress values characteristic of ice sheets are significantly higher than the rates given by the classic viscous-plastic flow laws commonly used.

Zwally, H. Jay↗
NASA NTRSDate not supplied

Uncertainty Quantification of Classical Theories of Dendritic Growth Kinetics Applied to Nickel-Based Alloys

The solidification velocity in a model nickel-alloy single crystal during laser spot melting was recently characterized using synchrotron X-ray imaging. The measured solidification velocity was found to exceed the absolute stability threshold predicted by the Kurz-Giovanola-Trivedi (KGT) model. The discrepancies between the model and experiments motivate the further assessment of accurate material properties. This work quantifies the impact material property uncertainty has on model predictions of the absolute stability threshold velocities. Properties from the literature are reviewed and compared to those calculated using computational thermodynamics to provide uncertainty estimates on input properties to the KGT model. Global sensitivity analysis is used to quantify the influence of each uncertain input property on the predicted threshold velocity. This work supports the understanding of the nickel-alloy solidification during powder bed fusion additive manufacturing and identifies the solidification material properties that are the most important to assess from first-principles computations and experiments.

Computational thermodynamics↗
NASA NTRS1992

Calorimetric determination of the thermoneutral potential of Li/BCX and Li/SOCl2 cells

Results are presented of the calorimetric determination of the effective thermoneutral potential, Eetp, of Li/BCS and Li/SOCl2 cells in the temperature range 0-60 C through a continuous recording of the cell voltage, heat flow, and current. The average effective thermoneutral potential at 25 C was 4.0 and 3.84 V for BCX and Li/SOCl2 cells, respectively. Based on the classical approach, the reversible cell potential, Er, and temperature dependence of reversible cell potential, dEr/dT, for BCX cell were 3.74 V and -0.952 mV/K, respectively, and for Li/SOCl2, Er = 3.67 V and dEr/dT = 0.567 mV/K. The thermal polarization (Eetp-E1), where E1 is the load voltage, for both cells, showed that they are the most thermally efficient near 40 C. An overall reaction proposed for the BCX chemistry is supported by the calculated thermodynamic parameters.

Kalu, E. E.↗