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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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At least 541 records · Page 30

A method for rapid liquid-solid phase solubility measurements using the protein lysozyme

Using hen's egg white lysozyme crystals as the test material, a simple system was developed for rapidly and unambiguously determining solubilities in (aqueous) solutions. The system is based upon a maximization of the solid surface area available for solute transfer to or from the solution, and a minimization of both the solution volume which must be equilibrated and the distance over which diffusive solute exchange occurs. This technique is further enhanced by using duplicate test systems which differ only in that one approaches equilibrium from an oversaturated solution, while the other from an undersaturated solution. Thus, the resulting data pair brackets the solubility value. In practical terms, the data points are found to usually be within 3 percent of each other, and individual solubility data points may usually be made at this resolution within 8-24 h depending upon the temperature change made since the previous determination.

Pusey, Marc L.↗

Methods for analysis of cracks in three-dimensional solids

Analytical and numerical methods evaluating the stress-intensity factors for three-dimensional cracks in solids are presented, with reference to fatigue failure in aerospace structures. The exact solutions for embedded elliptical and circular cracks in infinite solids, and the approximate methods, including the finite-element, the boundary-integral equation, the line-spring models, and the mixed methods are discussed. Among the mixed methods, the superposition of analytical and finite element methods, the stress-difference, the discretization-error, the alternating, and the finite element-alternating methods are reviewed. Comparison of the stress-intensity factor solutions for some three-dimensional crack configurations showed good agreement. Thus, the choice of a particular method in evaluating the stress-intensity factor is limited only to the availability of resources and computer programs.

Raju, I. S.↗

Gravitational Effects on the Morphology and Kinetics of Photodeposition of Polydiacetylene Thin Films From Monomer Solutions

The goal of this proposed work is to study gravitational effects on the photodeposition of polydiacetylene thin films from monomer solutions onto transparent substrates. Polydiacetylenes have been an extensively studied class of organic polymers because they exhibit many unusual and interesting properties, including electrical conductivity and optical nonlinearity. Their long polymeric chains render polydiacetylenes readily conducive to thin film formation, which is necessary for many applications. These applications require thin polydiacetylene films possessing uniform thicknesses, high purity, minimal inhomogeneities and defects (such as scattering centers), etc. Also, understanding and controlling the microstructure and morphology of the films is important for optimizing their electronic and optical properties. The lack of techniques for processing polydiacetylenes into such films has been the primary limitation to their commercial use. We have recently discovered a novel method for the formation of polydiacetylene thin films using photo-deposition from monomer solutions onto transparent substrates with UV light. This technique is very simple to carry out, and can yield films with superior quality to those produced by conventional methods. Furthermore, these films exhibit good third-order properties and are capable of waveguiding. We have been actively studying the chemistry of diacetylene polymerization in solution and the photo-deposition of polydiacetylene thin films from solution. It is well-known that gravitational factors such as buoyancy-driven convection and sedimentation can affect chemical and mass transport processes in solution. One important aspect of polydiacetylene thin film photodeposition in solution, relevant to microgravity science, is that heat generated by absorption of UV radiation induces thermal density gradients that under the influence of gravity, can cause fluid flows (buoyancy-driven convection). Additionally, changes in the chemical composition of the solution during polymerization may cause solutal convection. These fluid flows affect transport of material to and from the film surface and thereby affect the kinetics of the growth process. This manifests itself in the morphology of the resulting films; films grown under the influence of convection tend to have less uniform thicknesses, and can possess greater inhomogeneities and defects. Specifically, polydiacetylene films photodeposited from solution, when viewed under a microscope, exhibit very small particles of solid polymer which get transported by convection from the bulk solution to the surface of the growing film and become embedded. Even when carried out under conditions designed to minimize unstable density gradients (i.e., irradiating the solution from the top), some fluid flow still takes place (particles remain present in the films). It is also possible that defect nucleation may be occurring within the films or on the surface of the substrate; this, too, can be affected by convection (as is the case with crystal growth). Hence films grown in 1-g will, at best, still possess some defects. The objective of this proposal is to investigate, both in 1-g and in low-g, the effects of gravitational factors (primarily convection) on the dynamics of these processes, and on the quality, morphology, and properties of the films obtained.

Paley, Mark S.↗

Fidelity of the Integrated Force Method Solution

The theory of strain compatibility of the solid mechanics discipline was incomplete since St. Venant's 'strain formulation' in 1876. We have addressed the compatibility condition both in the continuum and the discrete system. This has lead to the formulation of the Integrated Force Method. A dual Integrated Force Method with displacement as the primal variable has also been formulated. A modest finite element code (IFM/Analyzers) based on the IFM theory has been developed. For a set of standard test problems the IFM results were compared with the stiffness method solutions and the MSC/Nastran code. For the problems IFM outperformed the existing methods. Superior IFM performance is attributed to simultaneous compliance of equilibrium equation and compatibility condition. MSC/Nastran organization expressed reluctance to accept the high fidelity IFM solutions. This report discusses the solutions to the examples. No inaccuracy was detected in the IFM solutions. A stiffness method code with a small programming effort can be improved to reap the many IFM benefits when implemented with the IFMD elements. Dr. Halford conducted a peer-review on the Integrated Force Method. Reviewers' response is included.

Hopkins, Dale↗

An RNA motif that binds ATP

RNAs that contain specific high-affinity binding sites for small molecule ligands immobilized on a solid support are present at a frequency of roughly one in 10(10)-10(11) in pools of random sequence RNA molecules. Here we describe a new in vitro selection procedure designed to ensure the isolation of RNAs that bind the ligand of interest in solution as well as on a solid support. We have used this method to isolate a remarkably small RNA motif that binds ATP, a substrate in numerous biological reactions and the universal biological high-energy intermediate. The selected ATP-binding RNAs contain a consensus sequence, embedded in a common secondary structure. The binding properties of ATP analogues and modified RNAs show that the binding interaction is characterized by a large number of close contacts between the ATP and RNA, and by a change in the conformation of the RNA.

NASA Discipline Exobiology↗

Study of actinide chemistry in saturated potassium fluoride solution

Study concerning the chemistry of actinides in saturated KF solution included work with neptunium, uranium, and americium. Solubilities, absorption spectra, oxidation-reduction reactions, and solid compounds which can be produced in KF solution were examined. The information is used for preparation of various materials from salts of the actinides.

Cohen, D.↗

Effects of Melt Convection and Solid Transport on Macrosegregation and Grain Structure in Equiaxed Al-Cu Alloys

Macrosegregation in metal casting can be caused by thermal and solutal melt convection, and the transport of unattached solid crystals resulting from nucleation in the bulk liquid or dendrite fragmentation. To develop a comprehensive numerical model for the casting of alloys, an experimental study has been conducted to generate benchmark data with which such a solidification model could be tested. The objectives were: (1) experimentally study the effects of solid transport and thermosolutal convection on macrosegregation and grain size; and (2) provide a complete set of boundary conditions temperature data, segregation data, and grain size data - to validate numerical models. Through the control of end cooling and side wall heating, radial temperature gradients in the sample and furnace were minimized. Thus the vertical crucible wall was adiabatic. Samples at room temperature were 24 cc and 95 mm long. The alloys used were Al-1 wt. pct. Cu, and Al- 10 wt. pct. Cu; the starting point for solidification was isothermal at 710 and 685 C respectively. To induce an equiaxed structure various amounts of the grain refiner TiB2 were added. Samples were either cooled from the top, or the bottom. Several trends in the data stand out. In attempting to model these experiments, concentrating on these trends or differences may be beneficial.

Rerko, Rodney S.↗

Effect of Melt Convection and Solid Transport on Macrosegregation and Grain Structure in Equiaxed Al-Cu Alloys

Macrosegregation in metal casting can be caused by thermal and solutal melt convection, and the transport of unattached solid crystals. These free grains can be a result of, for example, nucleation in the bulk liquid or dendrite fragmentation. In an effort to develop a comprehensive numerical model for the casting of alloys, an experimental study has been conducted to generate benchmark data with which such a solidification model could be tested. The specific goal of the experiments was to examine equiaxed solidification in situations where sinking of grains is (and is not) expected. The objectives were: 1) experimentally study the effects of solid transport and thermosolutal convection on macrosegregation and grain size distribution patterns; and 2) provide a complete set of controlled thermal boundary conditions, temperature data, segregation data, and grain size data, to validate numerical codes. The alloys used were Al-1 wt. pct. Cu, and Al-10 wt. pct. Cu with various amounts of the grain refiner TiB2 added. Cylindrical samples were either cooled from the top, or the bottom. Several trends in the data stand out. In attempting to model these experiments, concentrating on experiments that show clear trends or differences is recommended.

Rerko, Rodney S.↗

Shape optimization of three-dimensional stamped and solid automotive components

The shape optimization of realistic, 3-D automotive components is discussed. The integration of the major parts of the total process: modeling, mesh generation, finite element and sensitivity analysis, and optimization are stressed. Stamped components and solid components are treated separately. For stamped parts a highly automated capability was developed. The problem description is based upon a parameterized boundary design element concept for the definition of the geometry. Automatic triangulation and adaptive mesh refinement are used to provide an automated analysis capability which requires only boundary data and takes into account sensitivity of the solution accuracy to boundary shape. For solid components a general extension of the 2-D boundary design element concept has not been achieved. In this case, the parameterized surface shape is provided using a generic modeling concept based upon isoparametric mapping patches which also serves as the mesh generator. Emphasis is placed upon the coupling of optimization with a commercially available finite element program. To do this it is necessary to modularize the program architecture and obtain shape design sensitivities using the material derivative approach so that only boundary solution data is needed.

Botkin, M. E.↗

Effect of the Liquid-Vacuum Transition on the Relative Abundances of Amino and Fatty Acids Sought as Biosignatures on Icy Ocean Worlds

Interpreting measurements by robotic missions searching for signs of life in material erupted by cryovolcanic ocean worlds (e.g., Enceladus, Europa, Ceres) requires linking the composition of this material to that of its subsurface liquid source. Irrespective of the properties of –and processes along– the path of ejection, material erupted on airless worlds undergoes a transition from liquid to vacuum. Here, we investigate experimentally the effect of a direct transition from liquid to vacuum environments on the relative abundances of amino and carboxylic (fatty) acids, a metric used to distinguish between biological and abiotic sources for these compounds. Amino acids were dissolved in parent solutions prepared with 1 wt.% NaCl and pH 9–10 to match properties inferred from Enceladus plume grains. Compositional analysis of the dry solids resulting from the injection of this solution into vacuum indicates a < 50% change in amino acid abundances relative to glycine. Injection of two fatty acids, phenylacetic acid (soluble and undersaturated in the parent solution) and palmitic acid (insoluble and supersaturated) resulted in a change of less than a factor of 7 in their relative abundances. At this bulk scale (all grains aggregated together), proportions of amino and fatty acids were sufficiently conserved to allow distinction between end-member example biological and abiotic sources. We did not find strong correlations between the relative enrichment or depletion of amino or fatty acids with molecular properties such as molecular mass, hydrophobicity, functionality, or charge, other than high under-or supersaturation. Most of the organic residue was deposited along the experimental injection path, which suggests that cryovolcanic conduit walls on icy ocean worlds may be enriched in organic material relative to material having undergone the liquid-vacuum transition.

Amino acids↗

Application of Hamilton's law of varying action

The law of varying action enunciated by Hamilton in 1834-1835 permits the direct analytical solution of the problems of mechanics, both stationary and nonstationary, without consideration of force equilibrium and the theory of differential equations associated therewith. It has not been possible to obtain direct analytical solutions to nonstationary systems through the use of energy theory, which has been limited for 140 years to the principle of least action and to Hamilton's principle. It is shown here that Hamilton's law permits the direct analytical solution to nonstationary, initial value systems in the mechanics of solids without any knowledge or use of the theory of differential equations. Solutions are demonstrated for nonconservative, nonstationary particle motion, both linear and nonlinear.

Bailey, C. D.↗

An improved solution of the simplified two-phase plume

An exact solution of the two-phase, gas-particle, solid propellant rocket exhaust plume flowfield is presented. The good agreement between the exact solution and the experimental data proves that the accuracy of the present technique is acceptable for, at least, preliminary design calculations. A good comparison between the plume impingement effects predicted by the exact solution and those by the best computer code available has also been found for various propellant formulations and rocket sizes. This shows that the present exact solution does describe the basic characteristics of the two-phase plume. In case of a parametric analysis for obtaining an optimum design, the present exact solution will be a more convenient tool than any one of the numerical techniques especially when many parameters are involved in the optimization study. Several typical results are shown herein and their physical significance is discussed.

Wang, S. Y.↗

Combustion response modeling for composite solid propellants

A computerized mathematical model of the combustion response function of composite solid propellants was developed with particular attention to the contributions of the solid phase heterogeneity. The one-dimensional model treats the solid phase as alternating layers of ammonium perchlorate and binder, with an exothermic melt layer at the surface. Solution of the Fourier heat equation in the solid provides temperature and heat flux distributions with space and time. The problem is solved by conserving the heat flux at the surface from that produced by a suitable model of the gas phase. An approximation of the BDP flame model is utilized to represent the gas phase. By the use of several reasonable assumptions, it is found that a significant portion of the problem can be solved in closed form. A method is presented by which the model can be applied to tetramodal particle size distributions. A computerized steady-state version of the model was completed, which served to validate the various approximations and lay a foundation for the combustion response modeling. The combustion response modeling was completed in a form which does not require an iterative solution, and some preliminary results were acquired.

Source record↗

Experiments on the origin of molecular chirality by parity non-conservation during beta-decay

Experiments are described to test a theory for the origin of optical activity wherein the longitudinally polarized electrons resulting from parity violation during radioactive beta decay, and their resulting circularly polarized Bremsstrahlung, might interact asymmetrically with organic matter to yield optically active products. Experiments involve subjecting a number of racemic and optically active amino acid samples to irradiation in a 61700 Ci90SR-90Y beta radiation source for a period of 1.34 years, then examining them for any asymmetric effects by means of optical rotatory dispersion and analytical gas chromatography. In the cases of D,L-leucine, norleucine, norvaline and proline as solids, of D,L-leucine in solution and of D,L-tyrosine in alkaline solution no optical rotation was observed during CRD measurements in the 250-630 nm spectral region. While slight differences were noted in the percent radiolysis of solid D- (12.7%) and L-leucine (16.2%) as determined by GC, no enrichment of either enantiomer was found.

Bonner, W. A.↗

Heating of solid targets with laser pulses

Analytical and numerical solutions to the heat-conduction equation are obtained for the heating of absorbing media with pulsed lasers. The spatial and temporal form of the temperature is determined using several different models of the laser irradiance. Both surface and volume generation of heat are discussed. It is found that if the depth of thermal diffusion for the laser-pulse duration is large compared to the optical-attenuation depth, the surface- and volume-generation models give nearly identical results. However, if the thermal-diffusion depth for the laser-pulse duration is comparable to or less than the optical-attenuation depth, the surface-generation model can give significantly different results compared to the volume-generation model. Specific numerical results are given for a tungsten target irradiated by pulses of different temporal durations and the implications of the results are discussed with respect to the heating of metals by picosecond laser pulses.

Bechtel, J. H.↗

X-ray investigation of molten crystal hydrates H2SO4(nH2O) and HNO3(nH2O)

Integral analysis of the intensity of the electron density distribution curve in molten crystal hydrates provided by X-ray analysis, permits the following conclusions on the structure of the complex SO and NO ions, and the short-range order in the structure of the solution. The SO4 ion in the solution has a tetrahedral structure with an S to O distance equal to 1.5 A. For the NO3 in the solution, a planar triangular shape is probable, with an N to O distance equal to 1.2 A. Preferential distances between each of the oxygens of the SO ion and the nearest molecules of water proved near to the corresponding distances in solid crystal hydrates. For an (H2SO4)(H2O) solution, the average number of water molecules surrounding each oxygen atom of the SO4 (--) ion was on the order of 1.3 molecules. Hence the preferential distances between the water molecules and the oxygen atoms of the SO ion, and the preference of their mutual position, correspond to the fixed position of these same elements of the structure in the solid crystal hydrate.

Romanova, A. V.↗

WARP3D-Release 10.8: Dynamic Nonlinear Analysis of Solids using a Preconditioned Conjugate Gradient Software Architecture

This report describes theoretical background material and commands necessary to use the WARP3D finite element code. WARP3D is under continuing development as a research code for the solution of very large-scale, 3-D solid models subjected to static and dynamic loads. Specific features in the code oriented toward the investigation of ductile fracture in metals include a robust finite strain formulation, a general J-integral computation facility (with inertia, face loading), an element extinction facility to model crack growth, nonlinear material models including viscoplastic effects, and the Gurson-Tver-gaard dilatant plasticity model for void growth. The nonlinear, dynamic equilibrium equations are solved using an incremental-iterative, implicit formulation with full Newton iterations to eliminate residual nodal forces. The history integration of the nonlinear equations of motion is accomplished with Newmarks Beta method. A central feature of WARP3D involves the use of a linear-preconditioned conjugate gradient (LPCG) solver implemented in an element-by-element format to replace a conventional direct linear equation solver. This software architecture dramatically reduces both the memory requirements and CPU time for very large, nonlinear solid models since formation of the assembled (dynamic) stiffness matrix is avoided. Analyses thus exhibit the numerical stability for large time (load) steps provided by the implicit formulation coupled with the low memory requirements characteristic of an explicit code. In addition to the much lower memory requirements of the LPCG solver, the CPU time required for solution of the linear equations during each Newton iteration is generally one-half or less of the CPU time required for a traditional direct solver. All other computational aspects of the code (element stiffnesses, element strains, stress updating, element internal forces) are implemented in the element-by- element, blocked architecture. This greatly improves vectorization of the code on uni-processor hardware and enables straightforward parallel-vector processing of element blocks on multi-processor hardware.

Koppenhoefer, Kyle C.↗

Homogeneous crystal nucleation in binary metallic melts

A method for calculating the homogeneous crystal nucleation frequency in binary metallic melts is developed. The free energy of crystallization is derived from regular solution models for the liquid and solid and is used, together with model-based estimates of the interfacial tension, to calculate the nucleation frequency from the classical theory. The method can account for the composition dependence of the maximum undercooling observed in a number of experiments on small droplet dispersions. It can also be used to calculate the driving force for crystal growth and to obtain more precise estimates of the homogeneous crystal nucleation frequency in glass-forming alloys. This method, although approximate, is simple to apply, and requires only knowledge of the phase diagram and a few readily available thermodynamic quantities as input data.

Thompson, C. V.↗