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Results for “Kinetically constrained models”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

Improving Kinetic Consistency Across Elastic Model Transitions With Quadratic Inequality Constrained Weighted Least Squares (WLSQI)

Flexible body modeling presents a large challenge in the development of simulations to aid in design of flight control systems for launch and landing vehicles. Typically, the flexible body model is not a single continuous model but are rather discrete sets of Linear Time Invariant (LTI) Finite Element Models (FEM) incremented by propellant levels. This introduces the problem of smoothly transitioning modal and physical states of the vehicle when switching from one FEM to the next. This paper introduces a new approach to optimally transition flexible body states with weighted least squares, building off previous methods.

Convex Optimization↗

Improving Kinetic Consistency Across Elastic Model Transitions With Quadratic Inequality Constrained Weighted Least Squares (WLSQI)

Flexible body modeling presents a large challenge in the development of simulations to aid in design of flight control systems for launch and landing vehicles. Typically, the flexible body model is not a single continuous model but are rather discrete sets of Linear Time Invariant (LTI) Finite Element Models (FEM) incremented by propellant levels. This introduces the problem of smoothly transitioning modal and physical states of the vehicle when switching from one FEM to the next. This paper introduces a new approach to optimally transition flexible body states with weighted least squares, building off previous methods.

GN&C↗

SS 433: Total Coverage of 162-Day Precession Phase in Four Years

The observations prior to AO-4 covered a number of precession phases, leaving a gap at phase 0.8. In addition, ASCA and previous observations of SS 433 did not observe the spectrum above approx. 10 keV, and consequently the continuum underlying the spectral lines was poorly constrained. Therefore RXTE observations were scheduled for April 1997 to extend the observed spectrum to higher energies; these observations were planned to sample the X-ray lightcurve during the 13.08 day binary period, concentrating on the eclipse of the compact object which emits the jets. We proposed and were awarded ASCA observations simultaneous with the RXTE observations; the purpose of the ASCA observations was to provide greater spectral resolution at the low end of the spectrum observed by RXTE, and to complete the phase coverage of SS 433. As a result of scheduling difficulties early in the mission the RXTE observations were confined to a much shorter time range than originally planned, April 18-91 1997. Optical observations of SS 433 were performed at a number of observatories. The ASCA observations occurred from April 18 13:10 (UT) to April 21 13:20 (UT) for a total effective exposure of 120 ks. The continuum X-ray light curve shows that the ASCA observations started shortly before the ingress into the X-ray partial eclipse, and ended approximately at the time of the egress. Light curves were also obtained for the prominent Fe emission lines in the blue-shifted frame (approaching jet), red-shifted frame (receding jet), and the stationary frame (fluorescent line from the ambient matter). Through the eclipse mapping technique using the light curves, the parameters of the jet emission model were constrained, showing that the kinetic power in the jet exceeds 104? erg s-l. If the energy source is gravitational accretion, as is commonly believed, the derived l;inetic power implies extremely supercritical accretion even for a black; hole with 10M. These results will be described more fully in a major presentation of all the ASCA observations of SS 433.

Band, David L.↗

A local dynamic model for large eddy simulation

The dynamic model is a method for computing the coefficient C in Smagorinsky's model for the subgrid-scale stress tensor as a function of position from the information already contained in the resolved velocity field rather than treating it as an adjustable parameter. A variational formulation of the dynamic model is described that removes the inconsistency associated with taking C out of the filtering operation. This model, however, is still unstable due to the negative eddy-viscosity. Next, three models are presented that are mathematically consistent as well as numerically stable. The first two are applicable to homogeneous flows and flows with at least one homogeneous direction, respectively, and are, in fact, a rigorous derivation of the ad hoc expressions used by previous authors. The third model in this set can be applied to arbitrary flows, and it is stable because the C it predicts is always positive. Finally, a model involving the subgrid-scale kinetic energy is presented which attempts to model backscatter. This last model has some desirable theoretical features. However, even though it gives results in LES that are qualitatively correct, it is outperformed by the simpler constrained variational models. It is suggested that one of the constrained variational models should be used for actual LES while theoretical investigation of the kinetic energy approach should be continued in an effort to improve its predictive power and to understand more about backscatter.

Ghosal, Sandip↗

Residual Study: Testing Jupiter Atmosphere Models Against Juno MWR Observations

The Juno spacecraft provides unique close-up views of Jupiter underneath the synchrotron radiation belts while circling Jupiter in its 53-day orbits. The microwave radiometer (MWR) onboard measures Jupiter thermal radiation at wavelengths between 1.37 and 50 cm, penetrating the atmosphere to a pressure of a few hundred bars and greater. The mission provides the first measurements of Jupiter's deep atmosphere, down to ~250 bars in pressure, constraining the vertical distributions of its kinetic temperature and constituents. As a result, vertical structure models of Jupiter's atmosphere may now be tested by comparison with MWR data. Taking into account the MWR beam patterns and observation geometries, we test several published Jupiter atmospheric models against MWR data. Our residual analysis confirms Li et al.'s (2017, https://doi.org/10.1002/2017GL073159) result that ammonia depletion persists down to 50–60 bars where ground-based Very Large Array was not able to observe. We also present an extension of the study that iteratively improves the input model and generates Jupiter brightness temperature maps which best match the MWR data. A feature of Juno's north-to-south scanning approach is that latitudinal structure is more easily obtained than longitudinal, and the creation of optimum two-dimensional maps is addressed in this approach.

Zhimeng Zhang↗

Local dynamic subgrid-scale models in channel flow

The dynamic subgrid-scale (SGS) model has given good results in the large-eddy simulation (LES) of homogeneous isotropic or shear flow, and in the LES of channel flow, using averaging in two or three homogeneous directions (the DA model). In order to simulate flows in general, complex geometries (with few or no homogeneous directions), the dynamic SGS model needs to be applied at a local level in a numerically stable way. Channel flow, which is inhomogeneous and wall-bounded flow in only one direction, provides a good initial test for local SGS models. Tests of the dynamic localization model were performed previously in channel flow using a pseudospectral code and good results were obtained. Numerical instability due to persistently negative eddy viscosity was avoided by either constraining the eddy viscosity to be positive or by limiting the time that eddy viscosities could remain negative by co-evolving the SGS kinetic energy (the DLk model). The DLk model, however, was too expensive to run in the pseudospectral code due to a large near-wall term in the auxiliary SGS kinetic energy (k) equation. One objective was then to implement the DLk model in a second-order central finite difference channel code, in which the auxiliary k equation could be integrated implicitly in time at great reduction in cost, and to assess its performance in comparison with the plane-averaged dynamic model or with no model at all, and with direct numerical simulation (DNS) and/or experimental data. Other local dynamic SGS models have been proposed recently, e.g., constrained dynamic models with random backscatter, and with eddy viscosity terms that are averaged in time over material path lines rather than in space. Another objective was to incorporate and test these models in channel flow.

Cabot, William H.↗

The role of chlorine chemistry in Antarctic ozone loss - Implications of new kinetic data

New kinetic data yielding a slower formation rate and larger absorption cross sections of Cl2O2 are incorporated into a photochemical model to reassess the role of chlorine chemistry in accounting for the ozone reductions derived from TOMS observations in different regions of the Antarctic polar vortex during 1987. The model is further constrained by existing measurements from the Airborne Antarctic Ozone Experiment and the National Ozone Expedition II. Calculated concentrations of ClO based on the new kinetic data increase by almost a factor of two between the collar and core regions of the vortex during the second half of September. The calculated ozone reductions in the vortex core appear to be consistent with the TOMS observations in spite of the slower rate for the self-reaction of ClO.

Rodriguez, Jose M.↗

Lunar Solar Origins Exploration (LunaSOX)

The Moon offers a unique vantage point from which to investigate the Sun and its interaction via the solar wind magnetic fields, plasma, and energetic particles with the geospace system including the Moon itself. The lunar surface and exosphere provide in part a record of solar coronal plasma material input and resultant space weathering over billions of years. The structure and dynamics of solar wind interactions with the Moon provide an accessible near-Earth laboratory environment for study of general solar wind interactions with the vast multitude of airless asteroidal bodies of the inner solar system. Spacecraft in lunar orbit have the often simultaneous opportunity, except when in the Earth's magnetosphere, to make in-situ compositional measurements of the solar wind plasma and to carry out remote observations from the Moon of the solar corona, potentially enabled by lunar limb occultation of the solar disk. The LunaSOX project at NASA Goddard Space Flight Center is addressing these heliophysical science objectives from and of the Moon with support from NASA's Lunar Advanced Science and Exploration Research (LASER) program: (1) specify history of solar wind parameters at and sunward of the Moon through enhanced access (http://lunasox.gsfc.nasa.gov/) to legacy and operational mission data products from the Apollo era to the present, (2) model field and plasma interactions with the lunar surface, exosphere, and wake, as constrained by the available data, through hybrid kinetic code simulations, and (3) advance mission concepts for heliophysics from and of the Moon.

Cooper, John F.↗

A practical six-degree of freedom solar sail dynamics model for optimizing solar sail trajectories with torque constraints

Controlled flight of a solar sail-propelled spacecraft ('sailcraft') is a six-degree-of-freedom dynamics problem. Current state-of-the-art tools that simulate and optimize the trajectories flown by sailcraft do not treat the full kinetic (i.e. force and torque-constrained) motion, instead treating a discrete history of commanded sail attitudes, and either neglecting the sail attitude motion over an integration timestep, or treating the attitude evolution kinematically with a spline or similar treatment. The present paper discusses an aspect of developing a next generation sailcraf trajectory designing optimization tool JPL, for NASA's Solar Sail Spaceflight Simulation Software (SS). The aspect discussed in an experimental approach to modeling full six-degree-of-freedom kinetic motion of a solar sail in a trajectory propagator. Early results from implementing this approach in a new trajectory propagation tool are given.

six-degree-of-freedom↗

Spectral Power-law Formation by Sequential Particle Acceleration in Multiple Flare Magnetic Islands

We present a first-principles model of pitch-angle and energy distribution function evolution as particles are sequentially accelerated by multiple flare magnetic islands. Data from magnetohydrodynamic (MHD) simulations of an eruptive flare/coronal mass ejection provide ambient conditions for the evolving particle distributions. Magnetic islands, which are created by sporadic reconnection at the self-consistently formed flare current sheet, contract and accelerate the particles. The particle distributions are evolved using rules derived in our previous work. In this investigation, we assume that a prescribed fraction of particles sequentially "hops" to another accelerator and receives an additional boost in energy and anisotropy. This sequential process generates particle number spectra that obey an approximate power law at mid-range energies and presents low- and high-energy breaks. We analyze these spectral regions as functions of the model parameters. We also present a fully analytic method for forming and interpreting such spectra, independent of the sequential acceleration model. The method requires only a few constrained physical parameters, such as the percentage of particles transferred between accelerators, the energy gain in each accelerator, and the number of accelerators visited. Our investigation seeks to bridge the gap between MHD and kinetic regimes by combining global simulations and analytic kinetic theory. The model reproduces and explains key characteristics of observed flare hard X-ray spectra as well as the underlying properties of the accelerated particles. Our analytic model provides tools to interpret high-energy observations for missions and telescopes, such as RHESSI, FOXSI, NuSTAR, Solar Orbiter, EOVSA, and future high-energy missions.

magnetic reconnection↗

Towards Co-evolution of Membrane Transport and Metabolism

Protocellular boundaries were inextricably connected to the metabolism they encapsulated: to be inheritable, early metabolism must have led to an increased rate of growth and division of vesicles and, similarly, transport through vesicle boundaries must have supported the evolution of metabolism. Even though explaining how this coupling emerged and evolved in the absence of the complex machinery of modern cells is one of the key issues in studies on the origin of life, little is known about the biochemical and biophysical processes that might have been involved. This gap in our knowledge is a major impediment in efforts to construct scenarios for the origin of life and laboratory models of protocells. A combination of experimental and computational studies carried out by us and our collaborators is aimed at helping to close this gap. Properties of membranes might have contributed to the selection of RNA as an early biopolymer. A kinetic mechanism was proposed (Sacerdote & Szostak, 2005) in which ribose was supplied more quickly than other aldopentoses to primordial cells for preferential incorporation of ribonucleotides into nucleic acids. This proposal is based on a finding that ribose permeates membranes an order of magnitude faster than its diastereomers, arabinose and xylose. Our computer simulations, which yield permeation rates in excellent agreement with experiment, and kinetic modeling explain this phenomenon in terms of inter- and intramolecular interactions involving exocyclic hydroxyl groups attached to carbon atoms of the pyranose ring (Wei and Pohorille, 2009). They also constrain scenarios for the formation of the earliest nucleic acids (Wei and Pohorille, 2013). In one scenario, sugars permeate protocellular walls and subsequently are used to synthesize nucleic acids inside protocells. As long as this process proceeds at the rate faster than 6x10(exp -3)/s, ribose derivatives will be available for synthesis easier than their diastereomers. If nucleosides or their activated derivatives are synthesized outside protocells and subsequently transported across protocellular membranes the kinetic mechanism does not apply because all diastereomers, which have their sugars in the furanose rather than pyranose form, permeate the membrane at approximately the same rate. Properties of membranes might have been also coupled to metabolism involving peptides. Recently, Adamala and Szostak (2013) have shown that a dipeptide inside fatty-acid vesicles catalyzes the formation of another dipeptide that binds to vesicle walls and, by doing so, promotes their growth at the expense of other vesicles. This coupling of metabolism, permeability of vesicles and their growth is the first demonstration of evolutionary advantage imparted by small, membrane-bound peptides. Building on this work we have calculated the rate at which different blocked amino acids are delivered to a protocell for synthesis of dipeptides. We have further shown that the dipeptides are located at the water-membrane interface rather than in the center of the bilayer. On these basis it is anticipated that other dipeptides containing aromatic, but not necessarily hydrophobic amino acids (e.g. tyrosine) could have the same catalytic effects. Insight from these studies allows for estimating the rate of vesicle growth and the rates of dipeptide synthesis required to keep the system in balance. These results, in combination with our earlier studies, lead to a general scenario for evolution from membrane-bound dipeptides to ion channels in the origin of life.

Metabolism↗

Evolution of a terrestrial magma ocean: Thermodynamics, kinetics, rheology, convection, differentiation

The evolution of an initially totally molten magma ocean is constrained on the basis of analysis of various physical problems in the magma ocean. First of all an equilibrium thermodynamics of the magma ocean is developed in the melting temperature range. The equilibrium thermodynamical parameters are found as functions only of temperature and pressure and are used in the subsequent models of kinetics and convection. Kinematic processes determine the crystal size and also determine a non-equilibrium thermodynamics of the system. Rheology controls all dynamical regimes of the magma ocean. The thermal convection models for different rheological laws are developed for both the laminar convection and for turbulent convection in the case of equilibrium thermodynamics of the multiphase system. The evolution is estimated on the basis of all the above analysis.

Solomatov, V. S.↗

UVCS/SOHO empirical models of solar coronal holes

A self-consistent empirical model for the major plasma parameters in a solar-minimum coronal hole was developed using the ultraviolet coronagraph spectrometer (UVCS) operating onboard the Solar and Heliospheric Observatory (SOHO). The radial and latitudinal distribution of density, velocity, and kinetic temperature for electrons, neutral hydrogen, and ionized oxygen was obtained. The data were acquired during November 1996 and April 1997. The model provides experimental values which can be used to constrain theoretical models of the fast solar wind. The implications on various models of coronal heating and acceleration are discussed.

Cranmer, S. R.↗

Investigation of the Reactivity of Calcium Minerals Under Simulated Venus Conditions

The temperature and pressure at the modal radius on Venus is approximately 740K-95.6 bar, while the atmosphere is composed of various volcanic gases such as SO2, OCS, and H2S. Experiments and modeling completed by past researchers have found that these gases can be highly reactive with minerals at Venus conditions. However, the kinetics for many of these reactions have yet to be constrained by experiments. In this project we will research the effects of simulated Venus conditions on the stability of calcium minerals. In particular, we will focus on experiments with exposure to SO2 due to its reactivity with calcium. Additionally, we have selected several minerals that form under different geologic processes to investigate the effects of crystal lattice on kinetics.

S T Port↗

Investigation of the Reactivity of Calcium Minerals Under Simulated Venus Conditions

The temperature and pressure at the modal radius on Venus is approximately 740K-95.6 bar, while the atmosphere is composed of various volcanic gases such as SO2, OCS, and H2S. Experiments and modeling completed by past researchers have found that these gases can be highly reactive with minerals at Venus conditions. However, the kinetics for many of these reactions have yet to be constrained by experiments. In this project we will research the effects of simulated Venus conditions on the stability of calcium minerals. In particular, we will focus on experiments with exposure to SO2 due to its reactivity with calcium. Additionally, we have selected several minerals that form under different geologic processes to investigate the effects of crystal lattice on kinetics.

S T Port↗

Flare loop radiative hydrodynamics. I - Basic methods

The study presented here has two goals. The first is to examine the role of energy transport mechanisms in flare dynamics, for instance, thermal cone conduction in the corona and radiative transfer in the chromosphere. The second is to provide diagnostics of flare energization processes by predicting the evolutionary behavior of concurrent emissions from all regions of the flaring atmosphere. To attain these ends, a numerical method is developed for the simultaneous solution of thy continuity, momentum, and energy equations; the time-dependent atomic rate equations describing ionization and excitation; and the radiative transfer equations. With the physical model and computational methods used here, all components of the plasma move as a single fluid and in the initial studies are assumed to have a common kinetic temperature. The plasma is constrained to move in one dimension along the axis of a loop of nonuniform cross section, the geometry of which is defined by a sufficiently strong magnetic field.

Mcclymont, A. N.↗

ALMA Observations of the Galactic Center: SiO Outflows and High Mass Star Formation Near Sgr A

Using ALMA observations of the Galactic center with a spatial resolution of 2.61" x 0.97 ", we detected 11 SiO (5-4) clumps of molecular gas in the within 0.6pc (15") of Sgr A*, interior of the 2-pc circumnuclear molecular ring. Three SiO (5-4) clumps closest to Sgr A* show the largest central velocities of approximately 150 kilometers per second and broadest asymmetric linewidths with total linewidths FWZI approximately 110-147 kilometers per second. Other clumps are distributed mainly to the NE of the ionized minispiral with narrow linewidths of FWHM approximately 11-27 kilometers per second. Using CARMA data, LVG modeling of the broad velocity clumps, the SiO (5-4) and (2-1) line ratios constrain the column density N(SiO) approximately 10(exp 14) per square centimeter, and the H2 gas density n(sub H2) = (3-9) x 10(exp 5) per cubic centimeter for an assumed kinetic temperature 100-200K. The SiO (5-4) clumps with broad and narrow linewidths are interpreted as highly embedded protostellar outflows, signifying an early stage of massive star formation near Sgr A* in the last 104 years. Additional support for the presence of YSO outflows is that the luminosities and velocity widths lie in the range detected from protostellar outflows in star forming regions in the Galaxy. Furthermore, SED modeling of stellar sources along the N arm show two YSO candidates near SiO clumps supporting in-situ star formation near Sgr A*. We discuss the nature of star formation where the gravitational potential of the black hole dominates. In particular, we suggest that external radiative pressure exerted on self-shielded molecular clouds enhance the gas density, before the gas cloud become gravitationally unstable near Sgr A*.

Yusef-Zadeh, F.↗

A carbonate-silicate aqueous geochemical cycle model for Mars

A model for the carbonate-silicate geochemical cycle of an early, wet Mars is under development. The results of this study will be used to constrain models of the geochemical history of Mars and the likely mineralogy of its present surface. Although Mars today is a cold, dry planet, it may once have been much warmer and wetter. Values of total outgassed CO2 from several to about 10 bars are consistent with present knowledge (Pollack et al. 1987), and this amount of CO2 implies an amount of water outgassed at least equal to an equivalent depth of 500-1000 meters (Carr 1986). Pollack et al. (1987), in addition, estimate that a thick CO2 atmosphere may have existed for an extended period of time, perhaps as long as a billion years. The greenhouse effect of such an atmosphere would permit the presence of liquid water on the surface, most likely in the form of a shallow sea in the lowest regions of the planet, such as the northern plains (Schaefer 1990). The treatment of geochemical cycles as complex kinetic chemical reactions has been undertaken for terrestrial systems in recent years with much success (Lasaga 1980, 1981; Berner et al. 1983; Lasaga et al. 1985). Although the Martian system is vastly less well understood, and hence less well-constrained, it is also a much simpler system, due to the lack of biogenic reactions that make the terrestrial system so complex. It should be possible, therefore, to use the same techniques to model the Martian system as have been used for terrestrial systems, and to produce useful results. A diagram of the carbonate-silicate cycle for Mars (simplified from the terrestrial system) is given.

Schaefer, M. W.↗