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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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The failure of hyperbolicity leading to the instability as an ill-posedness of the Cauchy problem is investigated for elasticity. The criteria for that instability are derived in terms of the potential energy as a function of the strain invariants. The theory is illustrated by examples.
A polarization potential V(pol) for e-N2 collisions is calculated by the generalization of the static part of the method of polarized orbitals to molecular targets. Partial differential equations (PDE) are derived for polarized orbitals, which are functions of the distance (r) from the molecular center and angle (theta) from the molecular axis. The equations are solved with the use of the noniterative PDE technique. From the polarized orbitals a polarization potential can be constructed whose r and theta dependence is found to be significantly different from the well-known phenomenological one. The two potentials are further compared by carrying out limited hybrid-theory scattering calculations. Only those scattering results based on the calculated V(pol) are in satisfactory accord with experiment.
Traditional composite lamination theory was used to compute the constitutive matrices using a potential range of lamina properties. Sensitivity of vibrational frequencies was examined for variations in constituent materials and geometric properties. The material component interactions examined were the lamina longitudinal and transverse Young's modulus, the lamina Poisson's ratio, and the shear modulus. Fiber and resin properties were related to the frequency response through lamina properties. Geometric properties examined are void ratio and helical wind angle. Capabilities and applications of the SPAR and NASTRAN computer codes are examined for laminated cylindrical shells.
Experiments were performed on center-notched specimens of unidirectional AS4/3501-6 graphite-epoxy subjected to varied far-field loading conditions. Specimens tested include on-axis and off-axis tensile coupons and Iosipescu shear specimens, allowing the study of normal, shear, and combined far-field loading conditions. From the tests, the direction of initial crack extension and the far-field stresses at crack initiation and fracture are obtained. The normal stress ratio theory is subsequently applied within a macroscopic-level homogeneous anisotropic stress solution to predict the direction of crack extension, critical stresses, and other crack growth behavior for the experiments. Comparison between experimental results and theoretical predictions indicates that application of the normal stress ratio theory within a macroscopic-level stress analysis has significant potential as an approach to modeling composite crack growth.
The Solar Array Module Plasma Interactions Experiment (SAMPIE), an approved Shuttle space flight experiment with a tentative launch date in July 1993, is intended to investigate plasma interactions of high-voltage space power systems. Solar cell modules, representing several technologies, will be biased to high voltages to characterize both arcing (negative potential) and current collection (positive potential). Other solar modules, specially modified in accordance with current theories of arcing and breakdown, will demonstrate the possibility of arc suppression. Finally, several additional test specimens will be included to study the basic nature of these interactions. The authors describe the rationale for the space flight experiment, the measurements to be made, the significance of the expected results, and the current design status of the flight hardware.
A study discussing and investigating the role of inductive electric fields in substorm development is presented. It is common to use the scalar potential phi to calculate the electrostatic field E(sup ES)-(inverted Delta)(phi). However, vector potential A has not been extensively used to analyze results by the relation for the inductive electric field E(sup IND)-delta A/delta t. Because of the weak dependence in distance (1/r) these potentials show the effect of distant sources, unlike MHD (Magnetohydrodynamic) theory which is strictly local. The two can be separated by the choice of the Coulomb (transverse) gauge. It is proper to consider that the plasma polarizes to counteract the activation of the inductive electric field; this is a matter of cause and effect. However, such polarization produces a curl free electrostatic field and thus cannot alter the electromotive force due to induction. This idea has some interesting consequences for plasma physics, including violations of MHD theory, creation of the substorm current diversion, and a fresh look at dayside merging via plasma transfer events.
High voltage power systems in space will interact with the space plasma in a variety of ways. One of these, snapover, is characterized by sudden enlargement of the current collection area across normally insulating surfaces generating enhanced electron current collection. Power drain on solar array power systems results from this enhanced current collection. Optical observations of the snapover phenomena in the laboratory indicates a functional relation between glow area and bia potential as a consequence of the fold/cusp bifurcation in chaos theory. Successful characterizations of snapover as a chaotic phenomena may provide a means of snapover prevention and control through chaotic synchronization.
One of the objectives of the Mars Scout mission, Phoenix, is to characterize the present state of water in the martian environment, in a location where water may play a significant role in the present and past habitability of Mars. Given the generally dry and cold climate of Mars today any substantial amount of water is expected to occur in the form of ground ice (subsurface ice) within the regolith. The Mars Odyssey Gamma Ray Spectrometer has indicated abundant subsurface hydrogen and inferred ground ice at high latitudes. Therefore, the Phoenix mission will be targeted to land in the northern high latitudes (approximately 65 degrees N - 75 degrees N) where ground ice is expected to be abundantly available for analysis. The lander will be capable of excavating, sampling, and analyzing, dry and water-rich/icy soils. The location and depth of excavation necessary to achieve the goals of sampling and analysis of icy material become important parameters to assess. In the present work we ask two key questions: 1) At what depth within the regolith do we expect to find ice? 2) How might this depth vary over the region of potential landing sites? Numerous lines of evidence can be employed to provide an indication of the presence or absence of shallow ground ice at the potential landing sites. For example geomorphology, neutrons, gamma rays, and theory each contribute clues to an overall understanding of the distribution of ice. Orbital observations provide information on a variety of spatial scales, typically 10 s of meters (patterned ground) to 100 s of kilometers (gamma rays). While information on all of these scales are important, of particular interest is how the presence and depth of ground ice might vary on spatial scales comparable to the lander and its work area. While ground ice may be stable (and present) on a regional scale, local-scale slopes and changes in the physical characteristics of soils can result in significant variations in the distribution of ice.
Pluto, its large satellite Charon, and its four known satellites represent the first trans-Neptunian Kuiper Belt objects populating the outer-most solar system beyond the gas giant planets to be studied in detail from a spacecraft (New Horizons). A complete picture of the solar nebula, and solar system formation cannot be confidently formulated until representatives of this group of bodies at the edge of solar space have been examined. The Pluto system is composed of unique lunar- and intermediate-sized objects that can tell us much about how objects with volatile icy compositions evolve. Modeling of the interior suggests that geologic activity may have been to some degree, and observations of frost on the surface could imply the need for a geologic reservoir for the replenishment of these phases. However, the putative indicators of Pluto's geologic history are inconclusive and unspecific. Detailed examination of Pluto's geologic record is the only plausible means of bridging the gap between theory and observations. In this talk I will examine the potential importance of these tentative indications of geologic activity and how specific spacecraft observations have been designed and used to constrain the Pluto system's geologic history. The cameras of New Horizons will provide robust data sets that should be immanently amenable to geological analysis of the Pluto System's landscapes. In this talk, we begin with a brief discussion of the planned observations by New Horizons' cameras that will bear most directly on geological interpretability. Then I will broadly review major geological processes that could potentially operate of the surfaces of Pluto and its moons. I will first survey exogenic processes (i.e., those for which energy for surface modification is supplied externally to the planetary surface): impact cratering, sedimentary processes (including volatile migration) and the work of wind. I will conclude with an assessment of prospects for endogenic activity in the form of tectonics and cryo-volcanism.
The modelling of dense plasmas using finite-temperature density functional theory has proven very successful in determining transport properties and the equation of state of systems where quantum many-body effects and correlations play a key role in their structure. Here we show how excited-state projector augmented- wave potentials can be used to extend these calculations to explicitly model core-hole states, allowing for the calculation of the electronic structure of a range of integer charge configurations embedded in a dense plasma environment. Our excited-state potentials show good agreement with all-electron calculations at finite-temperatures, motivating their use as an efficient approach in modelling from first principles both the structure of strongly-coupled non-equilibrium plasmas and their interaction with intense X-rays.
A uniformly valid second-order theory is developed for calculating the unsteady incompressible flow that occurs when an airfoil is subjected to a convected sinusoidal gust. Explicit formulas for the airfoil response functions (i.e., fluctuating lift) are given. The theory accounts for the effect of the distortion of the gust by the steady-state potential flow around the airfoil, and this effect is found to have an important influence on the response functions. A number of results relevant to the general theory of the scattering of vorticity waves by solid objects are also presented.
Vibrational relaxation of N2 molecules is considered at temperatures up to 40,000 K in gas mixtures that contain electrons as well as heavy collision partners. The theory of vibrational relaxation due to N2-N2 collisions is fit to experimental data to 10,000 K by choice of the shape of the intermolecular potential and size of the collision cross section. These values are then used to extrapolate the theory to 40,000 K.
The landmark 1982 paper of Perdew, Parr, Levy, and Balduz (often called PPLB) laid the foundation for our modern understanding of the role of the derivative discontinuity in density functional theory, which drives much development to account for its effects. A simple model for the chemical potential at vanishing temperature played a crucial role in their argument. We investigate the validity of this model in the simplest non-trivial system to which it can be applied and which can be easily solved exactly, the Hubbard dimer. We find exact agreement in the crucial zero-temperature limit, and show the model remains accurate for a significant range of temperatures. We identify how this range depends on the strength of correlations. We extend the model to approximate free energies accounting for the derivative discontinuity, a feature missing in standard semilocal approximations. Here, we provide a correction to this approximation to yield even more accurate free energies. We discuss the relevance of these results for warm dense matter.
Abstract The successful discovery and isolation of graphene in 2004, and the subsequent synthesis of layered semiconductors and heterostructures beyond graphene have led to the exploding field of two-dimensional (2D) materials that explore their growth, new atomic-scale physics, and potential device applications. This review aims to provide an overview of theoretical, computational, and machine learning methods and tools at multiple length and time scales, and discuss how they can be utilized to assist/guide the design and synthesis of 2D materials beyond graphene. We focus on three methods at different length and time scales as follows: (i) nanoscale atomistic simulations including density functional theory (DFT) calculations and molecular dynamics simulations employing empirical and reactive interatomic potentials; (ii) mesoscale methods such as phase-field method; and (iii) macroscale continuum approaches by coupling thermal and chemical transport equations. We discuss how machine learning can be combined with computation and experiments to understand the correlations between structures and properties of 2D materials, and to guide the discovery of new 2D materials. We will also provide an outlook for the applications of computational approaches to 2D materials synthesis and growth in general.
We compare the electrochemically measured Sand’s time, the time required for the cell potential to diverge when the applied current density exceeds the limiting current, with theoretical predictions for a 0.47 M poly(ethylene oxide) (5 kg mol −1 )/LiTFSI electrolyte. The theoretical predictions are made using concentrated solution theory which accounts for both concentration polarization and polymer motion, using independently measured parameters that depend on concentration, c : conductivity ( κ ), salt diffusion coefficient ( D ), cationic transference number with respect to the solvent velocity ( t + 0 ), thermodynamic factor 1 + dln f ± dln c , and partial molar volume of the salt ( V ̅ ); f ± is the mean molar activity coefficient of the salt. We find quantitative agreement between experimental data and theoretical predictions. We derive a generalized analytical expression for Sand’s time for electrolytes based on dilute solution theory. This expression correctly predicts the divergence of the Sand’s time at the limiting current, in agreement with experimental data and concentrated solution theory predictions. When the applied current is large compared to the limiting current, the analytical expression approaches the standard expression for Sand’s time used in the literature.
Determination of experimental momentum transfer rate constants for systems of Cl(-) and Cr(CO)5(-) ions by means of an ion cyclotron resonance (ICR) line-broadening technique. It is found that in the pure polarization limit of small ion/large neutral collisions the Langevin ion mobility theory gives good agreement with experimental results. A comparison of isotropic and anisotropic neutral systems suggests that a correction for the anisotropic systems is necessary. Beyond the pure polarization limit the Langevin theory gives poor predictions for ion mobilities. The adjustable parameter, gamma, of the Mason-Schamp (12-6-4) potential function permits unique solution of the ion mobility for Cr(CO)5(-) in a wide range of neutral gases. The large values of gamma obtained for most of these systems imply, in terms of the Mason-Schamp theory, that the r to the minus 6th power contribution to the potential function is significant.
Electric field data from the Geotail spacecraft provide an opportunity to extend the observations of spiky fields made by International Sun Earth Explorer-1 (ISEE-1) to a region of the magnetosphere where quasistatic electric field measurements have not previously been msde, to examine their possible importance in the dynamics of the middle and distant tail, and to test some hypotheses about their formation. In this paper, examples of large fields in the plasma sheet and its boundary at radial distances up to approximately 90 R(sub E) are presented. It is shown that three different types of large electric fields can occur: (1) spiky fields; (2) 'DC' fields; and (3) waves at frequencies comparable to the lower hybrid frequency. There is usually a gradation between (1) and (3), and often large electric field spikes are embedded in regions of lower amplitude waves. The waves tend to occur in short (few to 10's of seconds) packets whose start and stop times are not always correlated with changes in the magnetic field and/or density (as indicated by the spacecraft potential). The peak frequency is often less than but comparable to the lower hybrid frequency in agreement with theories of lower hybrid drift waves in the magnetotail. The largest spikes are not always associated with the largest changes in the spacecraft potential and/or magnetic field. It is suggested that the spiky fields may represent the nonlinear development of the waves.
Chemical clusters are relevant to many applications in catalysis, separations, materials, and energy sciences. Experimentally, the structure of clusters is difficult to determine, but it is very important in understanding their chemistry and properties. Computational methods can be used to examine cluster structure, however finding the most stable structure is not simple, particularly as the cluster size increases. Global optimization techniques have long been used to tackle the problem of the most stable structure, but such approaches would have to look for a global minimum, while sampling local minima over the whole potential energy surface as well. In this review, the state-of-the-art theory of global optimization theory is summarized. First, the definition, significance, relation to experiments, and a brief history of global optimization is presented. We then discuss, in more detail, three versatile global optimization methods: the basin hopping, the artificial bee colony algorithm, and the genetic algorithm. We close with some representative application examples of global optimization of clusters since 2016 and the challenges, open questions and opportunities in this field.