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At least 199 records · Page 11

Crystal growth and crystallography

Selected topics that may be of interest for both crystal-structure and crystal-growth communities are overviewed. The growth of protein crystals, along with that of some other compounds, is one of the topics, and recent insights into related phenomena are considered as examples of applications of general principles. The relationship between crystal growth shape and structure is reviewed and an attempt to introduce semiquantitative characterization of binding for proteins is made. The concept of kinks for complex structures is briefly discussed. Even at sufficiently low supersaturations, the fluctuation of steps may not be sufficient to implement the Gibbs-Thomson law if the kink density is low enough. Subsurface ordering of liquids and growth of rough interfaces from melts is discussed. Crystals growing in microgravity from solution should be more perfect if they preferentially trap stress-inducing impurities, thus creating an impurity-depleted zone around themselves. Evidently, such a zone is developed only around the crystals growing in the absence of convection. Under terrestrial conditions, the self-purified depleted zone is destroyed by convection, the crystal traps more impurity and grows stressed. The stress relief causes mosaicity. In systems containing stress-inducing but poorly trapped impurities, the crystals grown in the absence of convection should be worse than those of their terrestrial counterparts.

Review, Tutorial↗

Materials Science Laboratory - Columnar-to-Equiaxed Transition in Solidification Processing and Microstructure Formation in Casting of Technical Alloys under Diffusive and Magnetically Controlled Convective Conditions

The Materials Science Laboratory - Columnar-to-Equiaxed Transition in Solidification Processing and Microstructure Formation in Casting of Technical Alloys under Diffusive and Magnetically Controlled Convective Conditions (MSL-CETSOL and MICAST) are two investigations which supports research into metallurgical solidification, semiconductor crystal growth (Bridgman and zone melting), and measurement of thermo-physical properties of materials. This is a cooperative investigation with the European Space Agency (ESA) and National Aeronautics and Space Administration (NASA) for accommodation and operation aboard the International Space Station (ISS). Research Summary: Materials Science Laboratory - Columnar-to-Equiaxed Transition in Solidification Processing (CETSOL) and Microstructure Formation in Casting of Technical Alloys under Diffusive and Magnetically Controlled Convective Conditions (MICAST) are two complementary investigations which will examine different growth patterns and evolution of microstructures during crystallization of metallic alloys in microgravity. The aim of these experiments is to deepen the quantitative understanding of the physical principles that govern solidification processes in cast alloys by directional solidification.

Gandin, Charles-Andre↗

Purification and Crystal Growth of Lead Iodide by Physical Vapor Transport Method

Lead iodide (PbI2) is a layered compound semiconductor being developed as room temperature x- and gamma-ray detector. Compared to the more studied material, mercuric iodide, PbI2 has a higher melting temperature and no phase transition until liquid phase which are indications of better mechanical properties. In this study, the source material was purified by the zone-refining process, and the purest section was extracted from center of the the zone-refined ingot to be grown by physical vapor transport (PVT) method. The zone-refined material and as-grown crystals were characterized by optical microscopy and differential scanning calorimetry (DSC) to reveal the surface morphology, purity and stoichiometry. The results shows that both materials are near-stoichiometric composition, with the purity of the as-grown crystals higher than zone-refined materials. The resistivity of the as-grown crystal (10" Omega-cm) was derived from current-voltage (I-V) measurement, and is 10 times higher than the zone-refined materials. Detail results will be presented and discussed.

Wright, G. W.↗

Crystallization history of the 1984 Mauna Loa lava flow

During a 3-week eruption in 1984, Mauna Loa produced vent lavas that increased in crystallinity from less than 1 to 30%, and 27-km-long flows that increased in crystallinity as they moved downstream. We examined the crystallization history of these lavas using crystal size distribution (CSD) analysis to study the rates of crystallization, viscosity increase, and latent heating. Typical average growth and nucleation rates were 5 x 10(exp -9) cm/s and 5/cu cm/s for microphenocrysts (20- to 500-micron size crystals nucleated in the rift zone) and 5 x 10(exp -8) cm/s and 5 x 10(exp 4)/cu cm/s for microlites (1- to 20-micron size crystals nucleated in the channel). These crystallization rates are high compared with those found in other CSD studies of igneous rocks, probably due to highly nonequilibrium conditions brought on by rapid degassing in the rift zone and cooling in the lava channel. Growth and nucleation rates decreased with time at the vent and with distance downstream. The maximum downstream total crystallinity measured is 39% (25% microlites, 14% microphenocrysts) in a quenched sample 14 km from the vent. Growth and nucleation rates cannot be calculated for postemplacement samples, but they place upper limits of 53-58% on the amount of crystallization in the channel 9-20 km from the vent. Crystallization could have been mostly responsible for the 10(exp 5)-fold downstream increase in apparent viscosity, although degassing and increasing incorporation of solid lava fragments also contributed. Another effect of crystallization on the lava flow was the sizeable latent heating (0.01 J/g/s over the first half of the flow length, if the crystallinity of downstream quench samples is representative of the hot fluid core), which may have been counteracted by entrainment of cooler material. Measurements of crystallization are shown to be crucial in the study of lava flow emplacement dynamics.

Crisp, Joe↗

Fe and Mg in plagioclase

Distribution coefficients for Fe and Mg between plagioclase and basaltic liquids were measured for lunar, terrestrial and synthetic systems. The data obtained imply that lunar anorthosites crystallized from relatively iron-rich liquids, that Fe/Mg zoning in plagioclase is an indicator of crystallization processes in basaltic magmas, and that Fe/Mg heterogeneity in plagioclase is a clue to the recognition of impact melts.

Longhi, J.↗

Crystal Growth of Cesium Hafnium Chloride (Cs2HfCl6) Scintillating Crystal

Crystal growth is the process where crystalline substance forms and increases in size through the addition of atoms, ions, or molecules. In this research we used the Bridgman technique to grow Cesium Hafnium Chloride (C2HfCl6). This technique is ideal for growing large volume crystal. Using a vertical furnace with two heating zones for heating and cooling. the material solidifies into a crystal as it slowly transitions from hot to cold zone.

Tribble, Jalen↗

Laser furnace technology for zone refining

A carbon dioxide laser experiment facility is constructed to investigate the problems in using a laser beam to zone refine semiconductor and metal crystals. The hardware includes a computer to control scan mirrors and stepper motors to provide a variety of melt zone patterns. The equipment and its operating procedures are described.

Griner, D. B.↗

A reference-area-free strain mapping method using precession electron diffraction data

Here, in this work, we developed a method using precession electron diffraction data to map the residual elastic strain at the nano-scale. The diffraction pattern of each pixel was first collected and denoised. Template matching was then applied using the center spot as the mask to identify the positions of the diffraction disks. Statistics of distances between the selected diffracted disks enable the user to make an informed decision on the reference and to generate strain maps. Strain mapping on an unstrained single crystal sapphire shows the standard deviation of strain measurement is 0.5%. With this method, we were able to successfully measure and map the residual elastic strain in VO 2 on sapphire and martensite in a Ni 50.3 Ti 29.7 Hf 20 shape memory alloy. This approach does not require the user to select a “strain-free area” as a reference and can work on datasets even with the crystals oriented away from zone axes. This method is expected to provide a robust and more accessible alternative means of studying the residual strain of various material systems that complements the existing algorithms for strain mapping.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Ab initio electron-two-phonon scattering in GaAs from next-to-leading order perturbation theory

Electron-phonon (e–ph) interactions are usually treated in the lowest order of perturbation theory. Here we derive next-to-leading order e–ph interactions, and compute from first principles the associated electron-two-phonon (2ph) scattering rates. The derivations involve Matsubara sums of two-loop Feynman diagrams, and the numerical calculations are challenging as they involve Brillouin zone integrals over two crystal momenta and depend critically on the intermediate state lifetimes. Using Monte Carlo integration together with a self-consistent update of the intermediate state lifetimes, we compute and converge the 2ph scattering rates, and analyze their energy and temperature dependence. We apply our method to GaAs, a weakly polar semiconductor with dominant optical-mode long-range e–ph interactions. We find that the 2ph scattering rates are as large as nearly half the value of the one-phonon rates, and that including the 2ph processes is necessary to accurately predict the electron mobility in GaAs from first principles.

36 MATERIALS SCIENCE↗

Thermal expansion and phonon anharmonicity of cuprite studied by inelastic neutron scattering and ab initio calculations

Inelastic neutron scattering measurements were performed with a time-of-flight chopper spectrometer to observe phonons in all parts of the Brillouin zone of a single crystal of cuprite Cu 2 O. We reduced the experimental data to phonon dispersions in the high-symmetry directions, and changes between 10 and 300 K are reported. In this paper, we show ab initio quasiharmonic (QH) and anharmonic (AH) calculations of phonon dispersions. We performed all AH calculations with a temperature-dependent effective potential method. Both QH and AH calculations account for the small negative thermal expansion of cuprite at low temperatures. However, the measured temperature-dependent phonon behavior was predicted more accurately with the AH calculations than the QH ones. Nevertheless, at 300 K, the cubic AH used in this paper did not entirely account for the experimental phonon dispersions in cuprite.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Supercooling on the lunar surface - A review of analogue information

Terrestrial analog studies of the phase petrology of supercooled melts and rapid crystal growth are reviewed for possible light shed on lunar crystallization, supercooling, and petrogenic processes, in particular rapid consolidation of lavas extruded on the lunar surface, and impact liquids. Crystallization of major constituent minerals (olivine, pyroxene, plagioclase) in dendritic or skeletal forms is found much more characteristic of lunar igneous rocks than of terrestrial counterparts. Olivine and pyroxene occur often as skeletal phenocrysts, and their stage of crystallization is crucial to the genesis and cooling history of porphyritic lavas. Widespread occurrence of glass and of immature radiate crystallization, particularly of highly zoned pyroxenes and zoned plagioclase, is noted.

Donaldson, C. H.↗

Vacuum tight quartz ampoule for Bridgman growth of crystals with interface demarcation

A growth ampoule for protecting the furnace lining and to prevent a change in the composition of the melt during growth of Pb-T-Te or Ge semiconductors doped with Ga is described. Mo foil is inserted into a quartz tube and sealed at the ends. A vacuum pumping system collapses the tube onto the foil. Spotwelded Mo wires lead in two directions from the collapsed section through quartz capillaries, one of which is also collapsed, on the wire, which provides a contact point for seeded growth of the semiconductor. The ampoule has been used for Bridgeman growth of crystals using a hot zone of 1150 C, with a temperature gradient of 240 C/m, and with current pulses up to 40 A/sq cm.

Crouch, R. K.↗

A discussion of isotopic systematics and mineral zoning in the shergottites - Evidence for a 180 m.y. igneous crystallization age

The chronologies of the Shergotty, Zagami, ALHA 77005, and EETA 79001 meteorites were reexamined on the basis of shergottites' petrography and mineral chemistry data. Among the various isochrons, the concordant Rb-Sr (about 180 Myr) and U-Th-Pb (about 190 Myr) internal isochrons are interpreted as representing the time of igneous crystallization, while the Rb-Sr, Sm-Nd, and Pb-Pb whole-rock isochrons are interpreted as mixing lines, and are reasonably attributed to igneous processes such as wall-rock assimilation and magma mixing. If the approximated age of less than 200 Myr is correct, the shergottites represent the youngest known extraterrestrial basalts. This conclusion supports the hypothesis that the SNC meteorites are samples of Mars.

Jones, J. H.↗

Hydrogen induced fracture characteristics of single crystal nickel-based superalloys

A stereoscopic method for use with x ray energy dispersive spectroscopy of rough surfaces was adapted and applied to the fracture surfaces single crystals of PWA 1480E to permit rapid orientation determinations of small cleavage planes. The method uses a mathematical treatment of stereo pair photomicrographs to measure the angle between the electron beam and the surface normal. One reference crystal orientation corresponding to the electron beam direction (crystal growth direction) is required to perform this trace analysis. The microstructure of PWA 1480E was characterized before fracture analysis was performed. The fracture behavior of single crystals of the PWA 1480E nickel-based superalloy was studied. The hydrogen-induced fracture behavior of single crystals of the PWA 1480E nickel-based superalloy was also studied. In order to understand the temperature dependence of hydrogen-induced embrittlement, notched single crystals with three different crystal growth orientations near zone axes (100), (110), and (111) were tensile tested at 871 C (1600 F) in both helium and hydrogen atmospheres at 34 MPa. Results and conclusions are given.

Chen, Po-Shou↗

The behavior of unsteady thermocapillary flows

The thermocapillary-driven flow of a liquid in a shallow slot provides a simple model to explore the effects of free-surface deflection and end walls on the stability of the flow. Such an investigation may be useful in understanding the complex flow seen in processes such as the float-zone refining of single crystals. A linear stability analysis of the viscously-dominated slot flow indicates stable basic states to both tow- and three-dimensional infinitesimal disturbances for capillary numbers below 43.3. Above this capillary number steady solutions do not exist. We also discuss current work involving the development of an inertially-dominated slot-flow model using singular perturbation methods. If these flows are unstable, inertial effects would be the only possible cause of the instability.

Vrane, David R.↗

Textural variations and impact history of the Millbillillie eucrite

We have investigated 10 new specimens of the Millbillillie eucrite to study its textures and mineral compositions by electron probe microanalyser and scanning electron microscope. Although originally described as having fine-grained texture, the new specimens show diversity of texture. The compositions (Mg/Fe ratios) of the host pigeonites and augite lamellae are homogeneous, respectively, in spite of the textural variation. In addition to their chemical homogeneity, pyroxenes in coarse and fine-grained clasts are partly inverted to orthopyroxene. Chemical zoning of plagioclase during crystal growth is preserved. This eucrite includes areas of granulitic breccias and impact melts. Large scale textures show a subparallel layering suggesting incomplete mixing and deposition of impact melt and lithic fragments. An Ar-39-Ar-40 age determination for a coarse-grained clast indicates a strong degassing event at 3.55 +/- 0.02 Ga. We conclude that Millbillillie is among the most equilibriated eucrites produced by thermal annealing after impact brecciation. According to the classificcation of impact breccias, Millbillillie can be classified as a mixture of granulitic breccias and impact melts. The last significant thermal event is characterized by network-like glassy veins that run through clasts and matrices. Consideration of textual observations and requirements for Ar-degassing suggests that the Ar-39-Ar-40 age could in principle date either the earlier brecciation and annealing event or the event which produced the veins.

Yamaguchi, Akira↗

Towards and FVE-FAC Method for Determining Thermocapillary Effects on Weld Pool Shape

Several practical materials processes, e.g., welding, float-zone purification, and Czochralski crystal growth, involve a pool of molten metal with a free surface, with strong temperature gradients along the surface. In some cases, the resulting thermocapillary flow is vigorous enough to convect heat toward the edges of the pool, increasing the driving force in a sort of positive feedback. In this work we examine this mechanism and its effect on the solid-liquid interface through a model problem: a half space of pure substance with concentrated axisymmetric surface heating, where surface tension is strong enough to keep the liquid free surface flat. The numerical method proposed for this problem utilizes a finite volume element (FVE) discretization in cylindrical coordinates. Because of the axisymmetric nature of the model problem, the control volumes used are torroidal prisms, formed by taking a polygonal cross-section in the (r, z) plane and sweeping it completely around the z-axis. Conservation of energy (in the solid), and conservation of energy, momentum, and mass (in the liquid) are enforced globally by integrating these quantities and enforcing conservation over each control volume. Judicious application of the Divergence Theorem and Stokes' Theorem, combined with a Crank-Nicolson time-stepping scheme leads to an implicit algebraic system to be solved at each time step. It is known that near the boundary of the pool, that is, near the solid-liquid interface, the full conduction-convection solution will require extremely fine length scales to resolve the physical behavior of the system. Furthermore, this boundary moves as a function of time. Accordingly, we develop the foundation of an adaptive refinement scheme based on the principles of Fast Adaptive Composite Grid methods (FAC). Implementation of the method and numerical results will appear in a later report.

Canright, David↗

Mechanistic Study of Delamination Fracture in Al-Li Alloy C458 (2099)

Delamination fracture has limited the use of lightweight Al-Li alloys. In the present study, electron backscattered diffraction (EBSD) methods were used to characterize crack paths in Al-Li alloy C458 (2099). Secondary delamination cracks in fracture toughness samples showed a pronounced tendency for fracture between grain variants of the same deformation texture component. These results were analyzed by EBSD mapping methods and simulated with finite element analyses. Simulation procedures include a description of material anisotropy, local grain orientations, and fracture utilizing crystal plasticity and cohesive zone elements. Taylor factors computed for each grain orientation subjected to normal and shear stresses indicated that grain pairs with the largest Taylor factor differences were adjacent to boundaries that failed by delamination. Examination of matching delamination fracture surface pairs revealed pronounced slip bands in only one of the grains bordering the delamination. These results, along with EBSD studies, plasticity simulations, and Auger electron spectroscopy observations support a hypothesis that delamination fracture occurs due to poor slip accommodation along boundaries between grains with greatly differing plastic response.

Tayon, W. A.↗