Search NASA⌕ Search

SEARCH · Search NASA

Results for “crystal fields”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 271 records · Page 15

Investigation of Three-Dimensional Stress Fields and Slip Systems for FCC Single Crystal Superalloy Notched Specimens

Metals and their alloys, except for a few intermetallics, are inherently ductile, i.e. plastic deformation precedes fracture in these materials. Therefore, resistance to fracture is directly related to the development of the plastic zone at the crack tip. Recent studies indicate that the fracture toughness of single crystals depends on the crystallographic orientation of the notch as well as the loading direction. In general, the dependence of crack propagation resistance on crystallographic orientation arises from the anisotropy of (i) elastic constants, (ii) plastic deformation (or slip), and (iii) the weakest fracture planes (e.g. cleavage planes). Because of the triaxial stress state at the notch tips, many slip systems that otherwise would not be activated during uniaxial testing, become operational. The plastic zone formation in single crystals has been tackled theoretically by Rice and his co-workers and only limited experimental work has been conducted in this area. The study of the stresses and strains in the vicinity of a FCC single crystal notch tip is of relatively recent origin. We present experimental and numerical investigation of 3D stress fields and evolution of slip sector boundaries near notches in FCC single crystal tension test specimens, and demonstrate that a 3D linear elastic finite element model that includes the effect of material anisotropy is shown to predict active slip planes and sectors accurately. The slip sector boundaries are shown to have complex curved shapes with several slip systems active simultaneously near the notch. Results are presented for surface and mid-plane of the specimens. The results demonstrate that accounting for 3D elastic anisotropy is very important for accurate prediction of slip activation near FCC single crystal notches loaded in tension. Results from the study will help establish guidelines for fatigue damage near single crystal notches.

Arakere, Nagaraj K.↗

Piezoelectric and pyroelectric coefficients for ferroelectric crystals with polarizable molecules

Expressions for piezoelectric and pyroelectric coefficients for a crystal of polarizable point dipoles are derived. The effect of crystal structure on the local electric field acting to polarize the molecules is included via the Lorentz-factor formalism. The derived expressions for the piezo- and pyroelectric coefficients are found to contain terms dependent on derivatives of the Lorentz factors. These terms reflect the changing of molecular dipole moments in response to the changing local electric field in the strained crystal. Inclusion of this effect results in predictions of coefficients substantially different from those obtained using the Lorentz field approximation.

Purvis, C. K.↗

Method and apparatus for minimizing convection during crystal growth from solution

A method and apparatus are disclosed for growing in a gravitational field a microscopic crystal from a solution. The solution is held in a vertical chamber which is relatively thin, the thin being generally perpendicular to the vertical. There is a substrate crystal disposed at either the upper or lower end of the chamber and the crystal grows from this substrate crystal in one direction. The temperature conditions of the solution are controlled so that, as the crystal forms, the effects of buoyant convection within the solution are minimized. This is accomplished in two different ways depending upon whether the crystal is grown from the upper or lower end of the chamber. When grown from the upper end of the chamber, the temperature of the solution is controlled so that it remains essentially isothermal so that there is essentially no heat loss from the solution. When the crystal is grown from the lower end of the chamber, the temperature of the solution is controlled so that there is a differential in temperature throughout the solution which provides a positive thermal gradient within the chamber.

Shlichta, P. J.↗

Method for minimizing convection during crystal growth from solution

Disclosed is a method and apparatus for growing in a gravitational field a microscopic crystal from a solution. Solution is held in a vertical chamber which is relatively thin, the thin dimension being generally perpendicular to the vertical. There is a substrate crystal disposed at either the upper or lower end of the chamber and the crystal grows from this substrate crystal in one direction. In accordance with this invention, the temperature conditions of the solution are controlled so that as the crystal forms the effects of buoyant convection within the solution are minimized. This is accomplished in two different ways depending upon whether the crystal is grown from the upper or lower end of the chamber. When grown from the upper end of the chamber, the temperature of the solution is controlled so that it remains essentially isothermal so that there is essentially no heat loss from the solution. When the crystal is grown from the lower end of the chamber, the temperatures of the solution is controlled so that there is a differential in temperature throughout the solution which provides a positive thermal gradient within the chamber.

Shlichta, Paul J.↗

General equations for the motions of ice crystals and water drops in gravitational and electric fields

General equations for the Reynolds number of a variety of types of ice crystals and water drops are given in terms of the Davies, Bond, and Knudsen numbers. The equations are in terms of the basic physical parameters of the system and are valid for calculating velocities in gravitational and electric fields over a very wide range of sizes and atmospheric conditions. The equations are asymptotically matched at the bottom and top of the size spectrum, useful when checking large computer codes. A numerical system for specifying the dimensional properties of ice crystals is introduced. Within the limits imposed by such variables as particle density, which have large deviations, the accuracy of velocities appears to be within 10 percent over the entire range of sizes of interest.

Nisbet, John S.↗

General equations for the motions of ice crystals and water drops in gravitational and electric fields

General equations for the Reynolds number of a variety of types of ice crystals and water drops are given in terms of the Davies, Bond, and Knudsen numbers. The equations are in terms of the basic physical parameters of the system and are valid for calculating velocities in gravitational and electric fields over a very wide range of sizes and atmospheric conditions. The equations are asymptotically matched at the bottom and top of the size spectrum, useful when checking large computer codes. A numerical system for specifying the dimensional properties of ice crystals is introduced. Within the limits imposed by such variables as particle density, which have large deviations, the accuracy of velocities appears to be within 10 percent over the entire range of sizes of interest.

Nisbet, John S.↗

Electrical de-poling and re-poling of relaxor-PbTiO 3 piezoelectric single crystals without heat treatment

Re-poling of unexpected partially depoled piezoelectric materials conventionally needs to be first fully depoled through annealing above their Curie temperature to revive piezoelectric performances. Here, we investigated de-poling and re-poling of Pb(In 1/2 Nb 1/2 )O 3 -Pb(Mg 1/3 Nb 2/3 )O 3 -PbTiO 3 single crystals under electric fields at room temperature. We found that alternating current electric fields with amplitudes near the coercive field at low frequencies (<10 Hz) can be employed to successfully depolarize poled crystals at room temperature. We also demonstrated a reversible polarization switching process with a relaxor-PbTiO 3 single crystal ultrasound transducer without device performance degradations. This experimental observation is supported by phase-field simulation, showing that alternating current electric fields can readily induce de-poling at room temperature, while direct current electric fields induce a transient depoled state only within an uncontrollable short period of time. The findings suggest new strategies for unprecedented in-device tailoring of the polarization states of ferroelectric materials.

36 MATERIALS SCIENCE↗

Preliminary Work in Obtaining Site-Directed Mutants of Hen Egg White Lysozyme

Protein crystal growth studies are recognized as a critical endeavor in the field of molecular biotechnology. The scientific applications of this field include the understanding of how enzymes function and the accumulation of accurate information of atomic structures, a key factor in the process of rational drug design. NASA has committed substantial investment and resources to the field of protein crystal growth and has conducted many microgravity protein crystal growth experiments aboard shuttle flights. Crystals grown in space tend to be larger, denser and have a more perfect habit and geometry. These improved properties gained in the microgravity environment of space result largely from the reduction of solutal convection, and the elimination of sedimentation at the growing crystal surface. Shuttle experiments have yielded many large, high quality crystals that are suitable for high resolution X-ray diffraction analysis. Examples of biologically important macromolecules which have been successfully crystallized during shuttle missions include: lysozyme, isocitrate lyase, gamma-interferon, insulin, human serum albumin and canavalin. Numerous other examples are also available. In addition to obtaining high quality crystals, investigators are also interested in learning the mechanisms by which the growth events take place. Crystallization experiments indicate that for the enzyme HEWL, measured growth rates do not follow mathematical models for 2D nucleation and dislocation-led growth of tetragonal protein crystals. As has been suggested by the laboratory of Marc L. Pusey, a possible explanation for the disagreement between observation and data is that HEWL tetraconal crystals form by aggregated units of lysozyme in supersaturated solutions. Surface measurement data was shown to fit very well with a model using an octamer unit cell as the growth unit. According to this model, the aggregation pathway and subsequent crystal growth is described by: monomer < ------ > dimer < ------- > tetramer < ------ > octamer < ------ > higher order. It is believed that multimer aggregation of lysozyme occurs by interaction at specific binding sites on the surface of the protein crystals. If the presence of discrete binding sites and the aggregation hypothesis is true, then it follows that the alteration of the binding site(s) should have significant effect on the measurements obtained during growth experiments. Site-directed mutagenesis allows the specific alteration of proteins by replacement, deletion or addition of specific amino acid residues. This report outlines the approach for this strategy and the progress made thus far toward that end.

Holmes, Leonard D.↗

Electron paramagnetic resonance study of alinement induced by magnetic fields in two smectic-A liquid crystals not exhibiting nematic phases

Using vanadyl acetylacetonate (VAAC) as a paramagnetic probe, the molecular ordering in two smectic-A liquid crystals that do not display nematic phases were studied. Reproducible alinement was attained by slow cooling throughout the isotropic smectic-A transition in dc magnetic fields of 1.1 and 2.15 teslas. The degree of order attained is small for a smectic-A liquid crystal. Measurements were made of the variation of the average hyperfine splitting of the alined samples as a function of orientation relative to the dc magnetic field of the spectrometer. This functional dependence is in agreement with the theoretical prediction except where the viscosity of the liquid crystal becomes large enough to slow the tumbling of the VAAC, as indicated by asymmetry in the end lines of the spectrum.

Fryburg, G. C.↗

Bridgman Growth of GeSi Alloys in a Static Magnetic Field

Ge(0.95)Si(0.050 alloy crystals have been grown by the vertical Bridgman technique, both with and without an axial 5 Tesla magnetic field. The crystals were processed in a constant axial thermal gradient and the effects of graphite, hot pressed boron nitride, and pyrolitic boron nitride ampoule materials on interface shapes and macrosegregation profiles were investigated. The sample grown in a graphite ampoule at 5 Tesla exhibited a macroscopic axial concentration profile close to that of complete mixing and strong striation patterns. In samples grown in boron nitride ampoules, both with and without a 5 Tesla magnetic field applied, measured macroscopic axial concentration profiles were intermediate between those expected for a completely mixed melt and diffusion-controlled growth, and striation patterns were also observed. Possible explanations for the apparent inability of the magnetic field to reduce the flow velocities to below the growth velocities are discussed, and results of growth experiments in pyrolitic boron nitride ampoules are also described.

Volz, M. P.↗

Notes on the spin-Hamiltonian

Paramagnetic ion interaction with its crystal lattice in applied dc magnetic field, described by function of total spin resulting from unpaired electrons within ion

DIRECT CURRENT /DC/↗

Thermoelectric Magnetohydrodynamic Flow During Crystal Growth with a Moderate or Weak Magnetic Field

This paper treats a steady, axisymmetric melt motion in a cylindrical ampoule with a uniform, axial magnetic field and with an electric current due to a radial temperature variation along the crystal-melt interface, where the values of the absolute thermoelectric power for the crystal and melt are different. The radial component of the thermoelectric current in the melt produces an azimuthal body force, and the axial variation of the centrifugal force due to the azimuthal motion drives a meridional circulation with radial and axial velocities. For moderate magnetic field strengths, the azimuthal velocity and magnetic field produce a radial induced electric field which partially cancels the Seebeck electromotive force in the melt, so that the thermoelectric current and the melt motion are coupled. For weak magnetic fields, the thermoelectric current is decoupled from the melt motion, which is an ordinary hydrodynamic flow driven by a known azimuthal body force. The results show how the flow varies with the strength of the magnetic field and with the magnitude of the temperature variation along the crystal-melt interface. They also define the parameter ranges for which the simpler weak-field decoupled analysis gives accurate predictions.

Khine, Y. Y.↗

Future application of Czochralski crystal pulling for silicon

Czochralski (Cz) crystal pulling has been the predominant method used for preparing silicon single crystal for the past twenty years. The fundamental technology used has changed little. However, great strides have been made in learning how to make the crystals bigger and of better quality at ever increasing productivity rates. Currently charge sizes of 50 kg of polycrystal silicon are being used for production and crystals up to ten inches in diameter have been grown without major difficulty. The largest material actually being processed in silicon wafer form is 150 mm (6 inches) in diameter. Growing of crystals in a magnetic field has proved to be particularly useful for microscopic impurity control. Major developments in past years on equipment for Cz crystal pulling have included the automatic growth control of the diameter as well as the starting core of the crystal, the use of magnetic fields and around the crystal puller to supress convection, various recharging schemes for dopant control and the use of continuous liquid feed in the crystal puller. The latter, while far from being a reliable production process, is ideal in concept for major improvement in Cz crystal pulling. The Czochralski process will maintain its dominance of silicon crystal production for many years.

Matlcok, J. H.↗

Colorimetric qualification of shear sensitive liquid crystal coatings

The work that has been done to date on the Shear Sensitive Liquid Crystal Project demonstrated that cholesteric liquid crystal coatings respond to both the direction and magnitude of a shearing force. The response of the coating is to selectively scatter incident white light into a spectrum of colors. Discernible color changes at a fixed angle of observation and illumination are the result of an applied shear stress. The intention was to be able to convert these observable color patterns from a flow visualization technique into a quantitative tool. One of the earlier intentions was to be able to use liquid crystals in dynamic flow fields. This was assumed possible because liquid crystals had made it possible to visualize transients in surface shear forces. Although the transients were visualized by color changes to an order one micro second, the time response of a coating to align to a shearing force is dependent on the magnitude of the change between its initial and final states. Unfortunately, the response is not instantaneous. It is for this reason any future attempt at quantifying the magnitude and directions of a shearing force are limited to surface shear stress vector fields in three dimensional steady state flows. This limitation does not significantly detract from the utility of liquid crystal coatings. The measurement of skin friction in the study of transition on wings, prediction of drag forces, performance assessment, and the investigation of boundary layer behavior is of great importance in aerodynamics. There exist numerous examples of techniques for the measurement of surface shear stress. Most techniques require arduous calibrations and necessitate extensive preparation of the receiving surfaces. However, the main draw back of instruments such as Preston tubes, hot films, buried wire gages, and floating element balances is that they only provide a point measurement. The advantages of capturing global shear data would be appreciable when compared with conventional point measurement sensors. It has yet to be determined if a repeatable correlation exists between the measured color of a liquid crystal coating and the magnitude/directional components of a shear vector imposed onto it.

Muratore, Joseph J., Jr.↗

Single crystals of metal solid solutions

The following definitions were sought in the research on single crystals of metal solid solutions: (1) the influence of convection and/or gravity present during crystallization on the substructure of a metal solid solution; (2) the influence of a magnetic field applied during crystallization on the substructure of a metal solid solution; and (3) requirements for a space flight experiment to verify the results. Growth conditions for the selected silver-zinc alloy system are described, along with pertinent technical and experimental details of the project.

Miller, J. F.↗

Novel Applications of Magnetic Fields for Fluid Flow Control and for Simulating Variable Gravity Conditions

Static and dynamic magnetic fields have been used to control convection in many materials processing applications. In most of the applications, convection control (damping or enhancement) is achieved through the Lorentz force that can be tailored to counteract/assist dominant system flows. This technique has been successfully applied to liquids that are electrically conducting, such as high temperature melts of semiconductors, metals and alloys, etc. In liquids with low electrical conductivity such as ionic solutions of salts in water, the Lorentz force is weak and hence not very effective and alternate ways of flow control are necessary. If the salt in solution is paramagnetic then the variation of magnetic susceptibility with temperature and/or concentration can be used for flow control. For thermal buoyancy driven flows this can be accomplished in a temperature range below the Curie point of the salt. The magnetic force is proportional to the magnetic susceptibility and the product of the magnetic field and its gradient. By suitably positioning the experiment cell in the magnet, system flows can be assisted or countered, as desired. A similar approach can be extended to diamagnetic substances and fluids but the required magnetic force is considerably larger than that required for paramagnetic substances. The presentation will provide an overview of work to date on a NASA fluid physics sponsored project that aims to test the hypothesis of convective flow control using strong magnetic fields in protein crystal growth. The objective is to understand the nature of the various forces that come into play, delineate causative factors for fluid flow and to quantify them through experiments, analysis, and numerical modeling. The seminar will report specifically on the experimental results using paramagnetic salts and solutions in magnetic fields and compare them to analytical predictions. Applications of the concept to protein crystallization studies will be discussed. The use of strong magnetic fields for terrestrially simulating variable gravity environments and applications supporting the NASA Exploration Initiative will also be briefly discussed.

Ramachandran, N.↗

Muon spin rotation research program

Data from cyclotron experiments and room temperature studies of dilute iron alloys and iron crystals under strain were analyzed. The Fe(Mo) data indicate that the effect upon the contact hyperfine field in Fe due to the introduction of Mo is considerably less than that expected from pure dilution, and the muon (+) are attracted to the Mo impurity sites. There is a significant change in the interstitial magnetic field with Nb concentration. The Fe(Ti) data, for which precession could clearly be observed early only at 468K and above, show that the Ti impurities are attractive to muon (+), and the magnitude of B(hf) is reduced far beyond the amount expected from pure dilution. Changes in the intersitital magnetic field with the introduction of Cr, W, Ge, and Si are also discussed. When strained to the elastic limit, the interstitial magnetic field in Fe crystals is reduced by 33 gauss, and the relaxation rate of the precession signal increases by 47%.

Stronach, C. E.↗