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At least 19 records

Bond-orientational order in liquid Si

Bond-orientational order in liquid Si via Monte Carlo simulation in conjuncation with empirical two- and three-body potentials of the form proposed by Stillinger and Weber are studied. Bond-orientational order (BOO) is described in terms of combinations of spherical harmonic functions. Liquid Si is found to have pronounced short-range BOO corresponding to l = 3, as expected for a structure with local tetrahedral order. No long-range BOO is found either in the equilibrium or the supercooled liquid. When the three-body potential is artificially removed, the tetrahedral bond-orientation order disappears and the liquid assumes a close-packed structure.

Wang, Z. Q.↗

Substrate-induced orientational order in the isotropic phase of liquid crystals

Nematic order induced near a solid boundary in an otherwise isotropic liquid crystal is studied theoretically, at temperatures just above the bulk nematic-isotropic phase transition. Three distinct regimes are found, depending on the strength of orientational torques at the boundary: (1) strong orientational order, (2) strong orientational order followed by a first-order transition to a state of weak orientational order as temperature is raised, and (3) a state of weak orientational order.

Mauger, A.↗

Liquid crystalline polymers

The remarkable mechanical properties and thermal stability of fibers fabricated from liquid crystalline polymers (LCPs) have led to the use of these materials in structural applications where weight savings are critical. Advances in processing of LCPs could permit the incorporation of these polymers into other than uniaxial designs and extend their utility into new areas such as nonlinear optical devices. However, the unique feature of LCPs (intrinsic orientation order) is itself problematic, and current understanding of processing with control of orientation falls short of allowing manipulation of macroscopic orientation (except for the case of uniaxial fibers). The current and desirable characteristics of LCPs are reviewed and specific problems are identified along with issues that must be addressed so that advances in the use of these unique polymers can be expedited.

Source record↗

Growth of thin films of dicyanovinylanisole on quartz and teflon-coated quartz by physical vapor transport

Organic compounds offer the possibility of molecular engineering in order to optimize the nonlinearity and minimize damage due to the high-power lasers used in nonlinear optical devices. Recently dicyanovinylanisole (DIVA), ((2-methoxyphenyl) methylenepropanedinitrile) has been shown to have a second order nonlinearity 40 times that of alpha-quartz. Debe et. al. have shown that a high degree of orientational order exists for thin films of phthalocyanine grown by physical vapor transport in microgravity. The microgravity environment eliminates convective flow and was critical to the formation of highly ordered dense continuous films in these samples. This work seeks to discover the parameters necessary for the production of thin continuous films of high optical quality in Earth gravity. These parameters must be known before the experiment can be planned for growing DIVA in a microgravity environment. The microgravity grown films are expected to be denser and of better optical quality than the unit gravity films as was observed in the phthalocyanine films.

Pearson, Earl F.↗

Hydrogen and related materials at high density: Physics, chemistry and planetary implications

Recent studies of low-Z molecular materials including hydrogen to multimegabar pressures (less than 300 GPa) have uncovered a range of phenomena relevant to understanding the nature of the interiors of the outer planets and their satellites. Synchrotron x ray diffraction measurements (to 42 GPa) have been used to determine the crystal structure of the solid (hexagonal-close packed) and equation of state. Sound velocities in fluid and solid hydrogen (to 24 GPa) have been inverted to obtain elastic constants and aggregate bulk and shear moduli. In addition, an improved intermolecular potential has been determined which fits both static and shock-wave data. Use of the new potential for the molecular envelope of Jupiter suggests the need for major revisions of existing Jovian models or a reanalysis of reported free oscillations for the planet. Studies at higher pressures (greater than 100 GPa) reveal a sequence of pressure-induced symmetry-breaking transitions in molecular hydrogen, giving rise to three high-pressure phases (1, 2, and 3). Phase 1 is the rotationally disordered hcp phase which persists from low pressure to well above 100 GPa at high temperature (e.g., 300 K). Phase 2 is a low-temperature, high-pressure phase (transition at 100 GPa and 77 K in H2) with spectral features indicative of partial rotational ordering and crystallographic distortion. The transition to Phase 3 at 150 GPa is accompanied by a weakening of the molecular bond, gradual changes in orientational ordering, strong enhancement of the infrared intramolecular vibrational absorption, and strong intermolecular interactions similar to those of ambient-pressure network solids. Studies of the phase diagram reveal a triple point near 130 K and 160 GPa. Higher pressure measurements of vibrational spectra place a lower bound of approximately 250 GPa on the predicted transition pressure for dissociation of molecular hydrogen to form a monatomic metal.

Hemley, R. J.↗

Ordered organic thin films self-assembled from the vapor phase

Organic films self-assembled from a liquid phase, as in Langmuir-Blodgett or adsorption from solution, have received much attention in the past decade as techniques to achieve highly oriented-ordered polymeric thin films. Many organic compounds including some of the same fatty acids have been vapor deposited as well. However, organic pigments and dyes comprise a major class of important materials which have very low solubilities yet excellent thermal stabilities, making them ideally suited for film deposition from the vapor phase. Surprisingly, such molecular systems exhibit a significant propensity to self order, a high sensitivity to deposition parameters, and a range of microstructural forms that cannot be duplicated by the less energetic mechanisms associated with solution adsorption processes. Molecular solids such as heterocyclic polynuclear aromatics are excellent candidates for film formation by vacuum deposition means. Over the past decade, our work and that of others investigating a wide variety of perylene and phthalocyanine derivatives identified five deposition parameters that can significantly affect film morphology, physical microstructure, and type and extent of ordering developed in vacuum and vapor transport grown films. These parameters are substrate temperature, deposition rate, substrate chemistry and epitaxy, ambient gas convective flows, and post deposition annealing. Examples of how each of these conditions manifest themselves in the film structure and ordering, most frequently revealed by scanning electron microscopy, reflection absorption infrared spectroscopy (RAIR), and grazing incidence x-ray diffraction (GIX), are presented.

Debe, M. K.↗

Liquid crystalline order in mucus

Mucus plays an exceptionally wide range of important biological roles. It operates as a protective, exchange, and transport medium in the digestive, respiratory, and reproductive systems of humans and other vertebrates. Mucus is a polymer hydrogel. It is secreted as discrete packages (secretory granules) by specialized secretory cells. Mucus hydrogel is stored in a condensed state inside the secretory granules. Depending upon the architecture of their constituent macromolecules and on the composition of the solvent, polymer gels can form liquid crystalline microstructures, with orientational order being exhibited over optically resolvable distances. Individual mucin molecules consist of alternating rigid segments (heavily glycosylated; hydrophilic) and flexible segments (nonglycosylated; hydrophobic). Polymer molecules consisting of rigid units linked by flexible spacers are frequently associated with liquid crystalline behavior, which again raises the possibility that mucus could form anisotropic fluid phases. Suggestions that mucins may be self-associating in dilute solution have previously been challenged on the basis of sedimentation-equilibrium studies performed on mucus in which potential sites of association were competitively blocked with inhibitors. However, the formation of stable liquid crystalline phases does not depend on the existence of inter- or intramolecular associations; these phases can form on the basis of steric considerations alone.

NASA Discipline Number 40-20↗

Electron paramagnetic resonance studies of slowly tumbling vanadyl spin probes in nematic liquid crystals

An analysis of EPR line shapes by the method of Polnaszek, Bruno, and Freed is made for slowly tumbling vanadyl spin probes in viscous nematic liquid crystals. The use of typical vanadyl complexes as spin probes for nematic liquid crystals is shown to simplify the theoretical analysis and the subsequent interpretation. Rotational correlation times tau and orientational ordering parameters S sub Z where slow tumbling effects are expected to be observed in vanadyl EPR spectra are indicated in a plot. Analysis of the inertial effects on the probe reorientation, which are induced by slowly fluctuating torque components of the local solvent structure, yield quantitative values for tau and S sub Z. The weakly ordered probe VOAA is in the slow tumbling region and displays these inertial effects throughout the nematic range of BEPC and Phase V. VOAA exhibits different reorientation behavior near the isotropic-nematic transition temperature than that displayed far below this transition temperature.

Bruno, G. V.↗

Phase transition in solid molecular hydrogen at ultrahigh pressures

Solid normal hydrogen was compressed in a diamond-anvil cell to pressures above 200 GPa. Spontaneous Raman spectra demonstrate that the solid undergoes a structural phase transformation beginning at 145 GPa at 77 K, as evidenced by an abrupt discontinuity in the intramolecular vibron frequency as a function of pressure. The magnitude of the vibron-frequency shift and the pressure-temperature conditions of the phase transformation are consistent with its identification as the theoretically predicted pressure-induced orientational ordering of the molecular solid.

Hemley, R. J.↗

Some influences of touch and pressure cues on human spatial orientation

In order to evaluate the influences of touch and pressure cues on human spatial orientation, blindfolded subjects were exposed to 30 rmp rotation about the Z-axis of their bodies while the axis was horizontal or near horizontal. It was found that the manipulation of pressure patterns to which the subjects are exposed significantly influences apparent orientation. When provided with visual information about actual orientation the subjects will eliminate the postural illusions created by pressure-cue patterns. The localization of sounds is dependent of the apparent orientation and the actual pattern of auditory stimulation. The study provides a basis for investigating: (1) the postural illusions experienced by astronauts in orbital flight and subjects in the free-fall phase of parabolic flight, and (2) the spatial-constancy mechanisms distinguishing changes in sensory afflux conditioned by a subject's movements in relation to the environment, and those conditioned by movements of the environment.

Lackner, J. R.↗

Response of amphibian egg non-yolk cytoplasm to gravity orientation

In order to study amphibian egg cytoplasmic organization and egg symmetrization at the molecular level, a library of seventeen monoclonal antibodies (MoAbs) against Xenopus laevis non-yolk egg proteins was produced. Several of these MoAbs react with non-yolk cytoplasmic antigens which are unevenly distributed in the fertile Xenopus egg.

Smith, R. C.↗

Understanding Organics in Meteorites and the Pre-Biotic Environment

(1) Refinement of the analytic capabilities of our experiment via characterization of molecule-specific response and the effects upon analysis of the type of sample under investigation; (2) Measurement of polycyclic aromatic hydrocarbons (PAHs) with high sensitivity and spatial resolution within extraterrestrial samples; (3) Investigation of the interstellar reactions of PAHs via the analysis of species formed in systems modeling dust grains and ices; (4) Investigations into the potential role of PAHs in prebiotic and early biotic chemistry via photoreactions of PAHs under simulated prebiotic Earth conditions. To meet these objectives, we use microprobe laser-desorption, laser-ionization mass spectrometry (MuL(exp 2)MS), which is a sensitive, selective, and spatially resolved technique for detection of aromatic compounds. Appendix A presents a description of the MuL(exp 2)MS technique. The initial grant proposal was for a three-year funding period, while the award was given for a one-year interim period. Because of this change in time period, emphasis was shifted from the first research goal, which was more development-oriented, in order to focus more on the other analysis-oriented goals. The progress made on each of the four research areas is given below.

Zare, Richard N.↗

Computer aided derivation of equations for composite mechanics problems and finite element analyses

Explicit equations are derived for analysis of multilayered fiber composites and for finite element analyses. The equations are obtained using a symbolic program and tested for various composite properties as well as for different fiber orientations. In order to analyze multilayered fiber composite structures, a variable thickness finite element is formulated. Examples of an airfoil geometry, simulated in a form of a cantilevered beam with various fiber orientations are studied.

Sarigul, N.↗

Fracture Behavior of a Stitched Warp-Knit Carbon Fabric Composite

Tests were conducted on several types of fracture specimens made from a carbon/epoxy composite. The composite material was stitched prior to introducing epoxy resin. Boeing, used this material to develop a composite wing box for a transport aircraft in the NASA Advanced Composites Transport Program. The specimens included compact, extended compact, and center notched tension specimens. The specimens were cut from panels with three orientations in order to explore the effects of anisotropy. The panels were made with various thicknesses to represent a wing, skin from tip to root. All fractures were not self-similar depending on specimen type and orientation. Unnotched tension specimens were also tested to measure elastic constants and strengths. The normal and shear strains were calculated on fracture planes using a series representation of strain fields for plane anisotropic crack problems. The fracture parameters were determined using a finite element method. Characteristic distances for critical tension and shear strains were calculated for each specimen and a failure criterion based on the interaction of tension and shear strains was proposed.

Poe, Clarence C., Jr.↗

ICESat Spacecraft Pointing Support Study Grant

The Geodetic Laser Altimeter System (GLAS) mission is designed to measure changes in the elevations of the polar ice sheets. The ICESat satellite will carry the GLAS altimeter, and will have a nominal orbit altitude of 600 km and orbit inclination of 94deg. The groundtrack repeat period is 182 days and will be maintained to less than 1 km at the equator via routine orbit adjustments. Science requirements for the GLAS mission demand that the laser altimeter be pointed to within 50 meters of a predetermined reference groundtrack. As the actual ICESat groundtrack drifts away from the reference groundtrack, the attitude must be controlled such that the altimeter boresight is pointed, crosstrack, at the reference groundtrack. This orientation may be described by a rotation, theta, about the instantaneous geodetic local horizontal direction vector, which lies in the orbit plane and is oriented in the direction of motion of the satellite. The attitude is further complicated by requirements related to thermal and power considerations for various instruments, spacecraft components, and solar array orientation. In order to keep battery temperatures within the specified operating range, and maintain near normal pointing of the solar array with respect to the sunline direction vector as the orbit precesses relative to the sun, the satellite will be oriented in one of four fixed yaw modes. Each of these yaw modes depends upon the angle between the orbit plane and the sunline direction vector; this angle is designated Beta'. Table 1 shows the satellite yaw angle, Psi, for a given Beta' range. The angle Psi represents a rotation about the satellite z-axis, which points in the geodetic nadir direction; for Psi = 0deg the satellite x-axis points in the direction of motion.

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Thermodynamic properties and phase transitions in CO2 molecular clusters

The thermodynamic properties of (CO2)N molecular aggregates of size N between 2 and 13 have been investigated. These crystallites exhibit well defined orientational order-disorder rotational transitions accompanied by a structural transition into a plastic crystallite phase. In addition, they exhibit melting and disassociation transitions. It is shown that the interpretation of experimental data, based upon dimer properties, depends crucially on these results. Equilibrium structures and orientations are also given.

Etters, R. D.↗