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NASA NTRS2003

Algorithms for Haptic Rendering of 3D Objects

Algorithms have been developed to provide haptic rendering of three-dimensional (3D) objects in virtual (that is, computationally simulated) environments. The goal of haptic rendering is to generate tactual displays of the shapes, hardnesses, surface textures, and frictional properties of 3D objects in real time. Haptic rendering is a major element of the emerging field of computer haptics, which invites comparison with computer graphics. We have already seen various applications of computer haptics in the areas of medicine (surgical simulation, telemedicine, haptic user interfaces for blind people, and rehabilitation of patients with neurological disorders), entertainment (3D painting, character animation, morphing, and sculpting), mechanical design (path planning and assembly sequencing), and scientific visualization (geophysical data analysis and molecular manipulation).

Basdogan, Cagatay↗

NASA NTRS1980

Reactive mixing in swirling flows

The effect of swirl on the mixing of two gas streams of the same density and axial velocity in a coaxial annular geometry has been examined. The flow is studied via a fluorescent tracer, 2-3 biacetyl. Through direct excitation, collisional excitation, and collisional de-excitation of the tracer, the turbulent transport, molecularly mixed and unmixed regions in the flow are visualized. The visualization results indicate that there are interesting three dimensional inviscid large scale structures. Mixing in the molecular level is found to be mainly localized in these structures.

Cheng, W. K.↗

NASA NTRS1971

Interstellar molecules and dense clouds.

Current knowledge of the interstellar medium is discussed on the basis of recent published studies. The subjects considered include optical identification of interstellar molecules, radio molecular lines, interstellar clouds, isotopic abundances, formation and disappearance of interstellar molecules, and interstellar probing techniques. Diagrams are plotted for the distribution of galactic sources exhibiting molecular lines, for hydrogen molecule, hydrogen atom and electron abundances due to ionization, for the densities, velocities and temperature of NH3 in the direction of Sagitarius B2, for the lower rotational energy levels of H2CO, and for temporal spectral variations in masing H2O clouds of the radio source W49. Future applications of the maser and of molecular microscopy in this field are visualized.

Rank, D. M.↗

NASA NTRS1992

Near-infrared observations of the proto-planetary nebula AFGL 618

Near-IR images and spectroscopy of the bipolar protoplanetary nebula AFGL 618 are presented. Emission from molecular hydrogen is detected in the 0.90-1.34-micron spectrum. A visual extinction of 3.4 +4.0/-2.0 mag to the H2-emitting region is derived from molecular hydrogen line ratios. Models of collisionally excited and fluorescent H2 emission are compared with the data: the near-IR H2 spectrum is found to be dominated by emission from collisionally excited molecules at Tex of about 2000 K, but a component of fluorescent emission is also present. It is shown that this type of near-IR spectrum is an excellent tool for discriminating relatively low levels of fluorescent H2 emission from a strong collisionally excited component. Images in the H- and K-bandpasses are analyzed using models which assume single scattering of photons from the central objects. The models indicate that the bipolar axis is inclined to the plane of the sky by about 45 deg. The emission in the H- and K-bands is found to be consistent with single scattering of photons by dust with a distribution such that the dust density increases with increasing stellar latitude and is nearly zero at the poles.

Latter, William B.↗

NASA NTRS1995

High Performance Parallel Computational Nanotechnology

At a recent press conference, NASA Administrator Dan Goldin encouraged NASA Ames Research Center to take a lead role in promoting research and development of advanced, high-performance computer technology, including nanotechnology. Manufacturers of leading-edge microprocessors currently perform large-scale simulations in the design and verification of semiconductor devices and microprocessors. Recently, the need for this intensive simulation and modeling analysis has greatly increased, due in part to the ever-increasing complexity of these devices, as well as the lessons of experiences such as the Pentium fiasco. Simulation, modeling, testing, and validation will be even more important for designing molecular computers because of the complex specification of millions of atoms, thousands of assembly steps, as well as the simulation and modeling needed to ensure reliable, robust and efficient fabrication of the molecular devices. The software for this capacity does not exist today, but it can be extrapolated from the software currently used in molecular modeling for other applications: semi-empirical methods, ab initio methods, self-consistent field methods, Hartree-Fock methods, molecular mechanics; and simulation methods for diamondoid structures. In as much as it seems clear that the application of such methods in nanotechnology will require powerful, highly powerful systems, this talk will discuss techniques and issues for performing these types of computations on parallel systems. We will describe system design issues (memory, I/O, mass storage, operating system requirements, special user interface issues, interconnects, bandwidths, and programming languages) involved in parallel methods for scalable classical, semiclassical, quantum, molecular mechanics, and continuum models; molecular nanotechnology computer-aided designs (NanoCAD) techniques; visualization using virtual reality techniques of structural models and assembly sequences; software required to control mini robotic manipulators for positional control; scalable numerical algorithms for reliability, verifications and testability. There appears no fundamental obstacle to simulating molecular compilers and molecular computers on high performance parallel computers, just as the Boeing 777 was simulated on a computer before manufacturing it.

Saini, Subhash↗

NASA NTRS1982

The relationship between carbon monoxide abundance and visual extinction in interstellar clouds

Carbon monoxide column densities are compared to visual extinctions toward field stars in the rho Oph and Taurus molecular cloud complexes. The relationship of C(0-18) column density to extinction is established, and new determinations for (C-13)O column densities are given for a range of visual extinctions extended to beyond 20 mag. A prescription for determining hydrogen column densities and masses of molecular clouds from observations of CO isotopes is presented and discussed critically. These measurements agree well with the predictions of gas phase chemistry models which include chemical fractionation and selective isotopic photodestruction. The functional dependence of the C(O-18) column density on extinction is characterized by two different regimes separated by a distinct transition observed to occur at 4 mag in both molecular cloud complexes, whereas the functional dependence of (C-13)O is quite different in the two regions. Some saturation is found to occur for C(O-18) emission at high visual extinction and use the rarer isotopic species C(O-17) and (C-13)(O-18) to correct for it.

Frerking, M. A.↗

NASA NTRS1973

A large carbon monoxide cloud in Orion

Carbon monoxide line emission was observed at a wavelength of 2.6 mm in an area of L1630, a diffuse dark nebula forming a bridge between NGC 2024 and the reflection nebula NGC 2068. The absence of a 21-cm counterpart to this region of high visual extinction suggests that L1630 is predominantly molecular hydrogen. The molecular hydrogen mass, estimated from the carbon monoxide observations, is found to comprise a significant fraction of the total mass of stars and gas within the boundaries of I Ori association.

Tucker, K. D.↗

NASA NTRS1979

Far infrared, near infrared, and radio molecular line studies of HFE 2, HFE 3, and FJM 6

Far-infrared, near-infrared, and radio molecular-line observations of the regions of HFE 2, HFE 3, and FJM 6 are described. At positions of high molecular column density nearest to the reported positions of these sources, their infrared emission cannot be confirmed at upper bounds below those of the original detection. Near-infrared observations of the FJM 6 region (which includes the Bok globule Barnard 361) reveal a number of stellar sources, most of which are behind the molecular cloud and are reddened by it. Visual extinction through B 361 estimated by star counts yields A sub V/N(/C-13/O) = 3.7 + or - 1.6) x 10 to the -16th mag sq cm. The gas temperature and the upper bound on the dust temperature in the FJM 6 region are consistent with cosmic-ray heating of the cloud, while the values of these parameters for the clouds in the HFE 2 and HFE 3 regions do not appear consistent with either cosmic-ray or radiative heating.

Fischer, J.↗

NASA NTRS1982

Speculations on the infrared molecular spectra of comets

No infrared vibration-rotation spectra have yet been seen for any comet, even though molecular emission features in the ultraviolet and visual regions are common, and gaseous matter is the dominant constituent of the coma. This is in part due to instrumental and atmospheric limitations, but also because non-LTE conditions prevail nearly everywhere throughout the coma and tails, leading to unusual spectra. Aspects of cometary physics and non-LTE spectroscopy are considered. Some aspects of the infrared signatures of cometary molecules are predicted.

Mumma, M. J.↗

NASA NTRS1987

Molecular and atomic clouds associated with infrared cirrus in Ursa Major

Observations of CO and H I revealed that in Ursa Major the high-latitude far-infrared 'cirrus' emission discovered by the Infrared Astronomical Satellite comes from molecular and atomic clouds. These clouds differ sufficiently from the large clouds in the Galactic plane so that the ratio of H2 column density to velocity-integrated CO radiation temperature, N(H2)/W(CO), derived from Galactic plane surveys, may not apply to them. On the assumption of a constant gas-to-dust ratio, it is argued that the cirrus emission in Ursa Major is a good mass tracer, since both the atomic and the molecular gas are probably optically thin at visual wavelengths, and the grains are heated not by local sources but by the background field of Galactic starlight. The N(H2)/W(CO) ratio thus derived for those diffuse clouds, is significantly lower than the ratio applicable to Galactic plane surveys.

De Vries, Hendrik Willem↗

NASA NTRS1998

Intrinsic Kinetics Fluctuations as Cause of Growth Inhomogeneity in Protein Crystals

Intrinsic kinetics instabilities in the form of growth step bunching during the crystallization of the protein lysozyme from solution were characterized by in situ high-resolution optical interferometry. Compositional variations (striations) in the crystal, which potentially decrease its utility, e.g., for molecular structure studies by diffraction methods, were visualized by polarized light reflection microscopy. A spatiotemporal correlation was established between the sequence of moving step bunches and the striations.

Vekilov, Peter G.↗

NASA NTRSDate not supplied

Flow Visualization for Plume-Surface Interaction at Martian-Relevant Lander Environments

This paper describes a jet impingement experiment performed in a large-scale vacuum chamber at Martian-relevant ambient pressure conditions, with the motivation of studying plume-surface interaction (PSI) caused by the exhaust plume of a lander interacting with the planetary surface. Flow visualization of an inert supersonic jet was performed using planar laser-induced fluorescence (PLIF), which is a molecular-based, two-dimensional measurement technique. Representative instantaneous and time-averaged visualizations of the impinging jet at two different nozzle flow conditions corresponding to the underexpanded and overexpanded jet regimes are presented for up to six different dimensionless altitudes h/De. The time-averaged measured spatial distribution of impingement pressures at these conditions is also reported. The PLIF visualizations appear to be critical towards explaining unexpected behavior in the impingement pressure, such as a higher impingement pressure for the underexpanded condition at h/De = 10, compared to a lower altitude of h/De = 8. This behavior can be attributed to differences in the stagnation shock structure observed in the PLIF images. The PLIF images also reveal significant flow separation at the nozzle exit for the overexpanded jet conditions. Further analysis of the test data as well as combined flow visualization and surface diagnostics for future ground tests will help inform engineering designs for landings on the Martian surface while mitigating PSI risks.

PLIF↗

NASA NTRSDate not supplied

Flow Visualization for Plume-Surface Interaction at Martian-Relevant Lander Environments

PLIF↗

NASA NTRS1991

Molecular hydrogen emission in L1448 associated with a highly collimated molecular outflow

A near-infrared camera was used to search for jets around low-luminosity embedded infrared sources in nearby molecular clouds. The near-infrared offers the advantage that the extinction is very low compared with the optical. A jet is detected in molecular hydrogen at 2.12 microns toward a source in L1448. Given the sample size this indicates a detection rate of no more than a couple percent. The average visual extinction in L1448 is roughly 5 mag. The properties of the molecular hydrogen emission are similar to those measured for known Herbig-Haro objects, suggesting the jet is a buried Herbig-Haro object/jet that would be visible in the optical if the extinction were lower. The L1448 jet coincides with the unusual CO outflow that is highly collimated and contains high-velocity CO 'bullets'. The properties of the L1448 source suggest it defines a transition case between molecular outflows and Herbig-Haro jets, combining the characteristics of both.

Terebey, Susan↗

NASA NTRS2001

Solid Hydrogen Particles Analyzed for Atomic Fuels

Solid hydrogen particles have been selected as a means of storing atomic propellants in future launch vehicles (refs. 1 to 2). In preparation for this, hydrogen particle formation in liquid helium was tested experimentally. These experiments were conducted to visually characterize the particles and to observe their formation and molecular transformations (aging) while in liquid helium. The particle sizes, molecular transformations, and agglomeration times were estimated from video image analyses. The experiments were conducted at the NASA Glenn Research Center in the Supplemental Multilayer Insulation Research Facility (SMIRF, ref. 3). The facility has a vacuum tank, into which the experimental setup was placed. The vacuum tank prevented heat leaks and subsequent boiloff of the liquid helium, and the supporting systems maintained the temperature and pressure of the liquid helium bath where the solid particles were created. As the operation of the apparatus was developed, the hydrogen particles were easily visualized. The figures (ref. 1) show images from the experimental runs. The first image shows the initial particle freezing, and the second image shows the particles after the small particles have agglomerated. The particles finally all clump, but stick together loosely. The solid particles tended to agglomerate within a maximum of 11 min, and the agglomerate was very weak. Because the hydrogen particles are buoyant in the helium, the agglomerate tends to compact itself into a flat pancake on the surface of the helium. This pancake agglomerate is easily broken apart by reducing the pressure above the liquid. The weak agglomerate implies that the particles can be used as a gelling agent for the liquid helium, as well as a storage medium for atomic boron, carbon, or hydrogen. The smallest particle sizes that resulted from the initial freezing experiments were about 1.8 mm. About 50 percent of the particles formed were between 1.8 to 4.6 mm in diameter. These very small particle sizes are encouraging for future formation experiments, where simpler operations will reduce the costs of production.

Palaszewski, Bryan A.↗

NASA NTRS2016

Monte Carlo Simulation of a Knudsen Effusion Mass Spectrometer Sampling System

Knudsen flow is easily simulated with a Monte Carlo method. In this study we develop a Visual Basic for Excel (VBA) code to simulate the molecular beam from a vaporizing solid. The system at NASA Glenn uses the restricted collimation method of Chatillon and colleagues, which consists of two apertures between the effusion cell and the ionizer. The diameter of the first aperture is smaller than the diameter of the effusion cell orifice, so the ionizer effectively only sees inside the effusion cell. The code is able to calculate the transmission coefficient through the cell orifice, through the cell orifice and the first aperture, and through the cell orifice and first and second aperatures. Calculated transmission coefficients through the cell orifice are compared to tabulated values to validate the code. Then transmission coefficients are calculated through the cell orifice and both apertures to the ionizer. This allows the geometry (aperture spacing and diameters) of the sampling system the sampling system to be optimized. Calculated transmission factors are also compared to literature values calculated via an analytic method.

Radke, Michael J.↗

NASA NTRS1978

Computer display and manipulation of biological molecules

This paper describes a computer model that was designed to investigate the conformation of molecules, macromolecules and subsequent complexes. Utilizing an advanced 3-D dynamic computer display system, the model is sufficiently versatile to accommodate a large variety of molecular input and to generate data for multiple purposes such as visual representation of conformational changes, and calculation of conformation and interaction energy. Molecules can be built on the basis of several levels of information. These include the specification of atomic coordinates and connectivities and the grouping of building blocks and duplicated substructures using symmetry rules found in crystals and polymers such as proteins and nucleic acids. Called AIMS (Ames Interactive Molecular modeling System), the model is now being used to study pre-biotic molecular evolution toward life.

Coeckelenbergh, Y.↗

NASA NTRS1995

Evidence for chemical processing of precometary icy grains in circumstellar environments of pre-main-sequence stars

We report the detection of a broad absorption feature near 2166/cm in the spectrum of the Taurus cloud cource Elias 18. This pre-main-sequence source is the second in Taurus, the third in our survey, and the fifth known in the sky to show the broad 2166/cm absorption feature. Of equal importance, this feature is not seen toward several other embedded sources in our survey, nor is it seen toward the source Elias 16, located behind the Taurus cloud. Laboratory experiments with interstellar ice analogs show that such a feature is associated with a complex C triple bonded to N containing compound (called X(C triple bonded to N)) that results from high-energy processing (ultraviolet irradiation or ion bombardment) of simple ice components into more complex, organic components. We find a nonlinear anticorrelation between the abundance of X(C triple bonded to N) and frozen CO components in nonpolar lattices. We find no correlation between the abundance of X(C triple bonded to N) and frozen CO in polar lattices. Because the abundances of frozen CO and H2O are strongly correlated with each other and with visual extinction toward sources embedded in and located behind the Taurus molecular cloud, these ice components usually are associated with intracloud material. Our results indicate that X(C triple bonded to N) molecules result from chemical processing of dust grains dominated by nonpolar icy mantles in the local environments of pre-main-sequence stars. Such processing of icy grains in the early solar system may be an important source of organic compounds observed in minor solar system bodies. The delivery of these organic compounds to the surface of the primitive Earth through comet impacts may have provided the raw materials for prebiotic chemistry.

Tegler, Stephen C.↗