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At least 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

The molecular matching problem

Molecular chemistry contains many difficult optimization problems that have begun to attract the attention of optimizers in the Operations Research community. Problems including protein folding, molecular conformation, molecular similarity, and molecular matching have been addressed. Minimum energy conformations for simple molecular structures such as water clusters, Lennard-Jones microclusters, and short polypeptides have dominated the literature to date. However, a variety of interesting problems exist and we focus here on a molecular structure matching (MSM) problem.

Kincaid, Rex K.↗
NASA NTRS1994

Mechanical property characterization and impact resistance of selected graphite/PEEK composite materials

To use graphite polyetheretherketone (PEEK) material on highly curved surfaces requires that the material be drapable and easily conformable to the surface. This paper presents the mechanical property characterization and impact resistance results for laminates made from two types of graphite/PEEK materials that will conform to a curved surface. These laminates were made from two different material forms. These forms are: (1) a fabric where each yarn is a co-mingled Celion G30-500 3K graphite fiber and PEEK thermoplastic fiber; and (2) an interleaved material of Celion G30-500 3K graphite fabric interleaved with PEEK thermoplastic film. The experimental results from the fabric laminates are compared with results for laminates made from AS4/PEEK unidirectional tape. The results indicate that the tension and compression moduli for quasi-isotropic and orthotropic laminates made from fabric materials are at least 79 percent of the modulus of equivalent laminates made from tape material. The strength of fabric material laminates is at least 80 percent of laminates made from tape material. The evaluation of fabric material for shear stiffness indicates that a tape material laminate could be replaced by a fabric material laminate and still maintain 89 percent of the shear stiffness of the tape material laminate. The notched quasi-isotropic compression panel failure strength is 42 to 46 percent of the unnotched quasi-isotropic laminate strength. Damage area after impact with 20 ft-lbs of impact energy is larger for the co-mingled panels than for the interleaved panels. The inerleaved panels have less damage than panels made from tape material. Residual compression strength of quasi-isotropic panels after impact of 20 ft-lbs of energy varies between 33 percent of the undamaged quasi-isotropic material strength for the tape material and 38 percent of the undamaged quasi-isotropic material strength for the co-mingled fabric material.

Baker, Donald J.↗
NASA NTRS1994

Optimum aerodynamic design via boundary control

These lectures describe the implementation of optimization techniques based on control theory for airfoil and wing design. In previous studies it was shown that control theory could be used to devise an effective optimization procedure for two-dimensional profiles in which the shape is determined by a conformal transformation from a unit circle, and the control is the mapping function. Recently the method has been implemented in an alternative formulation which does not depend on conformal mapping, so that it can more easily be extended to treat general configurations. The method has also been extended to treat the Euler equations, and results are presented for both two and three dimensional cases, including the optimization of a swept wing.

Jameson, Antony↗
NASA NTRS1995

Metrology: Measurement Assurance Program Guidelines

The 5300.4 series of NASA Handbooks for Reliability and Quality Assurance Programs have provisions for the establishment and utilization of a documented metrology system to control measurement processes and to provide objective evidence of quality conformance. The intent of these provisions is to assure consistency and conformance to specifications and tolerances of equipment, systems, materials, and processes procured and/or used by NASA, its international partners, contractors, subcontractors, and suppliers. This Measurement Assurance Program (MAP) guideline has the specific objectives to: (1) ensure the quality of measurements made within NASA programs; (2) establish realistic measurement process uncertainties; (3) maintain continuous control over the measurement processes; and (4) ensure measurement compatibility among NASA facilities. The publication addresses MAP methods as applied within and among NASA installations and serves as a guide to: control measurement processes at the local level (one facility); conduct measurement assurance programs in which a number of field installations are joint participants; and conduct measurement integrity (round robin) experiments in which a number of field installations participate to assess the overall quality of particular measurement processes at a point in time.

Eicke, W. G.↗
NASA NTRS1995

Elliptic surface grid generation on minimal and parmetrized surfaces

An elliptic grid generation method is presented which generates excellent boundary conforming grids in domains in 2D physical space. The method is based on the composition of an algebraic and elliptic transformation. The composite mapping obeys the familiar Poisson grid generation system with control functions specified by the algebraic transformation. New expressions are given for the control functions. Grid orthogonality at the boundary is achieved by modification of the algebraic transformation. It is shown that grid generation on a minimal surface in 3D physical space is in fact equivalent to grid generation in a domain in 2D physical space. A second elliptic grid generation method is presented which generates excellent boundary conforming grids on smooth surfaces. It is assumed that the surfaces are parametrized and that the grid only depends on the shape of the surface and is independent of the parametrization. Concerning surface modeling, it is shown that bicubic Hermite interpolation is an excellent method to generate a smooth surface which is passing through a given discrete set of control points. In contrast to bicubic spline interpolation, there is extra freedom to model the tangent and twist vectors such that spurious oscillations are prevented.

Spekreijse, S. P.↗
NASA NTRS1995

Simulation of patch and slot antennas using FEM with prismatic elements and investigations of artificial absorber mesh termination schemes

Year 1 progress can be characterized with four major achievements which are crucial toward the development of robust, easy to use antenna analysis code on doubly conformal platforms. (1) A new FEM code was developed using prismatic meshes. This code is based on a new edge based distorted prism and is particularly attractive for growing meshes associated with printed slot and patch antennas on doubly conformal platforms. It is anticipated that this technology will lead to interactive, simple to use codes for a large class of antenna geometries. Moreover, the codes can be expanded to include modeling of the circuit characteristics. An attached report describes the theory and validation of the new prismatic code using reference calculations and measured data collected at the NASA Langley facilities. The agreement between the measured and calculated data is impressive even for the coated patch configuration. (2) A scheme was developed for improved feed modeling in the context of FEM. A new approach based on the voltage continuity condition was devised and successfully tested in modeling coax cables and aperture fed antennas. An important aspect of this new feed modeling approach is the ability to completely separate the feed and antenna mesh regions. In this manner, different elements can be used in each of the regions leading to substantially improved accuracy and meshing simplicity. (3) A most important development this year has been the introduction of the perfectly matched interface (PMI) layer for truncating finite element meshes. So far the robust boundary integral method has been used for truncating the finite element meshes. However, this approach is not suitable for antennas on nonplanar platforms. The PMI layer is a lossy anisotropic absorber with zero reflection at its interface. (4) We were able to interface our antenna code FEMA_CYL (for antennas on cylindrical platforms) with a standard high frequency code. This interface was achieved by first generating equivalent magnetic currents across the antenna aperture using the FEM code. These currents were employed as the sources in the high frequency code.

Gong, J.↗
NASA NTRS1995

Proton affinity determinations and proton-bound dimer structure indications in C2 to C15, (alpha),(omega)-alkyldiamines

The 'kinetic method' was used to determine the proton affinity (PA) of a,coalkyldiamines from collision induced dissociation (CID) studies of protonated heterodimers. These PA values were consistently lower than those reported in the proton affinity scale. The apparent discrepancy was rationalized in terms of differences in the conformation of the protonated diamine monomers. The minimum energy species, formed by equilibrium proton transfer processes, have a cyclic conformation and the ion charge is shared by both amino-groups which are bridged by the proton. On the other hand, the species formed through dissociation of protonated dimers have a linear structure and the charge is localized on one of the amino-groups. Thus, the difference in the PA values obtained by both methods is a measure of the additional stability acquired by the protonated diamines through cyclization and charge delocalization. The major collision dissociation pathway of the protonated diamine monomers involved elimination of an ammonia moiety. Other reactions observed included loss of the second amino-group and several other bond cleavages. CID of the protonated dimers involved primarily formation of a protonated monomer through cleavage of the weaker hydrogen bond and subsequently loss of ammonia at higher collision energies. As observed from the CID studies, doubly charged ions were also formed from the diamines under conditions of the electrospray ionization.

Karpas, Z.↗
NASA NTRS1994

Control theory based airfoil design for potential flow and a finite volume discretization

This paper describes the implementation of optimization techniques based on control theory for airfoil design. In previous studies it was shown that control theory could be used to devise an effective optimization procedure for two-dimensional profiles in which the shape is determined by a conformal transformation from a unit circle, and the control is the mapping function. The goal of our present work is to develop a method which does not depend on conformal mapping, so that it can be extended to treat three-dimensional problems. Therefore, we have developed a method which can address arbitrary geometric shapes through the use of a finite volume method to discretize the potential flow equation. Here the control law serves to provide computationally inexpensive gradient information to a standard numerical optimization method. Results are presented, where both target speed distributions and minimum drag are used as objective functions.

Reuther, J.↗
NASA NTRS1995

Elliptic surface grid generation on minimal and parametrized surfaces

An elliptic grid generation method, which generates boundary conforming grids in a two dimensional physical space, is presented. The method is based on the composition of an algebraic and elliptic transformation. The composite mapping obeys the Poisson grid generation system with control functions specified by the algebraic transformation. It is shown that the grid generation on a minimal surface in a three dimensional space is equivalent to the grid generation in a two dimensional domain in physical space. A second elliptic grid generation method, which generates boundary conforming grids on smooth surfaces, is presented. Concerning surface modeling, it is shown that bicubic Hermit interpolation is an excellent method to generate a smooth surface crossing a discrete set of control points.

Spekreijse, S. P.↗
NASA NTRS1994

Molecular Dynamics of a Water-Lipid Bilayer Interface

We present results of molecular dynamics simulations of a glycerol 1-monooleate bilayer in water. The total length of analyzed trajectories is 5ns. The calculated width of the bilayer agrees well with the experimentally measured value. The interior of the membrane is in a highly disordered fluid state. Atomic density profile, orientational and conformational distribution functions, and order parameters indicate that disorder increases toward the center of the bilayer. Analysis of out-of-plane thermal fluctuations of the bilayer surfaces occurring at the time scale of the present calculations reveals that the distribution of modes agrees with predictions of the capillary wave model. Fluctuations of both bilayer surfaces are uncorrelated, yielding Gaussian distribution of instantaneous widths of the membrane. Fluctuations of the width produce transient thinning defects in the bilayer which occasionally span almost half of the membrane. The leading mechanism of these fluctuations is the orientational and conformational motion of head groups rather than vertical motion of the whole molecules. Water considerably penetrates the head group region of the bilayer but not its hydrocarbon core. The total net excess dipole moment of the interfacial water points toward the aqueous phase, but the water polarization profile is non-monotonic. Both water and head groups significantly contribute to the surface potential across the interface. The calculated sign of the surface potential is in agreement with that from experimental measurements, but the value is markedly overestimated. The structural and electrical properties of the water-bilayer system are discussed in relation to membrane functions, in particular transport of ions and nonelectrolytes across membranes.

Wilson, Michael A.↗
NASA NTRS1997

Moving-Base Simulation Evaluation of Control/Display Integration Issues for ASTOVL Aircraft

A moving-base simulation has been conducted on the Vertical Motion Simulator at Ames Research Center using a model of an advanced, short takeoff and vertical landing (STOVL) lift fan fighter aircraft. This experiment expanded on investigations during previous simulations with this STOVL configuration with the objective of evaluating (1) control law modifications over the low speed flight envelope, (2) integration of the throttle inceptor with flight control laws that provide direct thrust command for conventional flight, vertical and short takeoff, and flightpath or vertical velocity command for transition, hover, and vertical landing, (3) control mode blending for pitch, roll, yaw, and flightpath control during transition from wing-borne to jet-borne flight, and (4) effects of conformal versus nonconformal presentation of flightpath and pursuit guidance symbology on the out-the-window display for low speed STOVL operations. Assessments were made for takeoff, transition, hover, and landing, including precision hover and landing aboard an LPH-type amphibious assault ship in the presence of winds and rough seas. Results yielded Level 1 pilot ratings for the flightpath and vertical velocity command modes for a range of land-based and shipboard operation and were consistent with previous experience with earlier control laws and displays for this STOVL concept. Control mode blending was performed over speed ranges in accord with the pilot's tasks and with the change of the basic aircraft's characteristics between wing-borne and hover flight. Blending of yaw control from heading command in hover to sideslip command in wing-borne flight performed over a broad speed range helped reduce yaw transients during acceleration through the low speed regime. Although the pilots appreciated conformality of flightpath and guidance symbols with the external scene during the approach, increased sensitivity of the symbols for lateral path tracking elevated the pilots' control activity in the presence of turbulence. The pilots preferred the choice of scaling that was originally established during the display development and in-flight evaluations.

Franklin, James A.↗
NASA NTRS1959

Extending the Lorentz Transformation to Motion with Variable Velocity

The problem considered is that of rectilinear motion with variable velocity. The paper gives, by an elementary construction, a system of coordinates which is conformal in the vicinity of the axis of motion. By a particular choice of the scale relation, such restricted conformal transformations can be made to reduce to the Lorentz transformation everywhere in the case of uniform velocity and locally in the case of variable velocity.

Jones, Robert T.↗
NASA NTRS2000

Development of a Enhanced Thermal Barrier for RSRM Nozzle Joints

A carbon fiber rope is being considered as replacement for the RTV thermal barrier that is currently used to protect o-rings in RSRM nozzle joints, Performance requirements include its ability to cool propellant gases filter slag and particulates, and conform to various joint assembly conditions as well as dynamic flight motion. Testing has shown its superior heat resistance, even in oxidative and corrosive environments. Testing has also demonstrated excellent performance of this system in sub-scale motors. Cold flow testing, has demonstrated its ability to conform to motor dynamics. Manufacture and assembly testing have demonstrated the ease of gland machining as well as assembly in a full-scale nozzle.

Bauer, P. H.↗
NASA NTRS2000

R6 Hexameric Insulin Complexed with m-Cresol or Rescorcinol

The structures of three R6 human insulin hexamers have been determined. Crystals of monoclinic m-cresol/insulin, monoclinic resorcinol/insulin, and rhombohedral m-cresol/insulin crystals diffracted to 1.9, 1.9 and 1,78 Angstroms, respectively, and have been refined to residuals of 0.195, 0.179, and 0.200, respectively. In all three structures, a phenolic derivative is found to occupy the phenolic binding site where it forms hydrogen bonds to the carbonyl oxygen of A6 Cys and the nitrogen of A11 Cys. Two additional phenolic derivative binding sites were identified within or between hexamers. The structures of all three hexamers are nearly identical although a large displacement of the N-terminus of one B-chain in both monoclinic structures results from coordination to a sodium ion which is located between symmetry related hexamers. Other minor differences in structure are a consequence of differences in packing in the monoclinic cell as compared to the rhombohedral cell. Based upon the differences in conformation of the B13 Glu side chains in T6, T3R3, and R6 hexamers, the deprotonation of these side chains appears to be associated with the T (right arrow) R conformational transition.

Smith, G. David↗
NASA NTRS2000

The Effect of Solution Thermal History on Chicken Egg White Lysozyme Nucleation

Proteins are highly flexible molecules and often exhibit defined conformational changes in response to changes in the ambient temperature. Chicken egg white lysozyme has been previously shown to undergo an apparent structural change when warmed above the tetragonal/orthorhombic phase transition temperature. This is reflected by a change in the habit of the tetragonal and orthorhombic crystals so formed. In this study we show that possible conformational changes induced by heating are stable and apparently non- reversible by simple cooling. Exposure of protein solutions to temperatures above the phase change transition temperature, before combining with precipitant solution to begin crystallization, reduces final crystal numbers. Protein that is briefly warmed to 37 C, then cooled shows no sign of reversal to the unheated nucleation behavior even after storage for 4 weeks at 4 C. The change in nucleation behavior of tetragonal lysozyme crystals, attributed to a structural shift, occurs faster the greater the exposure to temperature above the equi-solubility point for the two phases. Heating for 2 h at 48 C reduces crystal numbers by 20 fold in comparison to the same solution heated for the same time at 30 C. Thermal treatment of solutions is therefore a possible tool to reduce crystal numbers and increase crystal size. The effects of a protein's previous thermal history are now shown to be a potentially critical factor in subsequent macromolecule crystal nucleation and growth studies.

Burke, Michael W.↗
NASA NTRS1994

Meteoritic Constraints on Models of the Solar Nebula: The Abundances of Moderately Volatile Elements

The "moderately volatile" elements are those which condense (or evaporate) in the temperature range 650 - 1350 K, as a mix of material with solar abundances is cooled (or heated) tinder equilibrium conditions. Their relative abundances in chondritic meteorites are solar (or "cosmic", as defined by the composition of Cl meteorites) to within a factor of several, but vary within that range in a way that correlates remarkably well with condensation temperature, independent of chemical affinity. It has been argued that this correlation reflects a systematically selective process which favored the accretion of refractory material over volatile material from a cooling nebula. Wasson and Chou (Meteoritics 9, 69-94, 1974, and Wasson and co-authors in subsequent papers) suggested that condensation and settling of solids contemporaneously with the cooling and removal of nebular gas could produce the observed abundance patterns, but a quantitative model has been lacking. We show that the abundance patterns of the moderately volatile elements in chondritic meteorites can be produced, in some degree of quantitative detail, by models of the solar nebula that are designed to conform to observations of T Tauri stars and the global conservation laws. For example, even if the local surface density of the nebula is not decreasing, condensation and accretion of solids from radially inflowing gas in a cooling nebula can result in depletions of volatiles, relative to refractories, like those observed, The details of the calculated abundance patterns depend on (but are not especially sensitive to) model parameters, and can exhibit the variations that distinguish the meteorite classes. Thus it appears that nebula characteristics such as cooling rates, radial flow velocities, and particle accumulation rates can be quantitatively constrained by demanding that they conform to meteoritic data; and the models, in turn, can produce testable hypotheses regarding the time and location of the formation of the chondrite parent bodies and the planets.

Cassen, Patrick↗
NASA NTRS2000

Composite Tank

A composite tank for containing liquid oxygen and the method of making the same Wherein a water-soluble mandrel having ing the desired tank configuration and a cylindrical protuberance on at least one end is fitted with an inner boss conformance, to the configuration of the mandrel and in outer boss conforming to the configuration of the inner boss, the bosses each having a tubular portion for receiving the protuberance on the mandrel and a spherical portion. The mandrel and the bosses are first coated with a nickel coating. The mandrel is then wrapped with graphite fibers wetted with an epoxy resin and this resin is cured. A layer of insulating foam is then applied to the tank and cured. The insulating foam is machined to a desired concentration and a layer of aramid fibers wetted with a second epoxy resin is wrapped around the tank. The second resin is cured and the water soluble mandrel is washed from inside the tank.

Thomas K DeLay↗
NASA NTRS1994

Meteoritic Constraints on Models of the Solar Nebula: The Abundances of Moderately Volatile Elements

The "moderately volatile" elements are those which condense (or evaporate) in the temperature range 650 - 1350 K, as a mix of material with solar abundances is cooled (or heated) under equilibrium conditions. Their relative abundances in chondritic meteorites are solar (or "cosmic", as defined by tile composition of CI meteorites) to within a factor of several, but vary within that range in a way that correlates remarkably well with condensation temperature, independent of chemical affinity. It has been argued that this correlation reflects a systematically selective process which favored the accretion of refractory material over volatile material from a cooling nebula. Wasson and Chou suggested that condensation and settling of solids contemporaneously with the cooling and removal of nebular gas could produce tile observed abundance patterns, but a quantitative model has been lacking. We show that the abundance patterns of the moderately volatile elements in chondritic meteorites can be produced, in some degree of quantitative detail, by models of the solar nebula that are designed to conform to observations of T Tauri stars and the global conservation laws. For example, even if the local surface density of the nebula is not decreasing, condensation and accretion of solids from radially inflowing gas in a cooling nebula can result in depletions of volatiles, relative to refractories, like those observed. The details of the calculated abundance patterns depend on (but are not especially sensitive to) model parameters, and can exhibit the variations that distinguish the meteorite classes. Thus it appears that nebula characteristics Such as cooling rates, radial flow velocities, and particle accumulation rates can be quantitatively constrained by demanding that they conform to meteoritic data; and the models, in turn, can produce testable hypotheses regarding the time and location of the formation of the chondrite parent bodies and the planets.

Cassen, P.↗