Face-selective crystal growth behavior of L-aspartic acid in the presence of L-asparagine

NASA Astrophysics Data System (ADS)

Sato, Hiroyasu; Doki, Norihito; Yoshida, Saki; Yokota, Masaaki; Shimizu, Kenji

2016-02-01

The kinetic mechanism of L-asparagine (L-Asn) action on L-aspartic acid (L-Asp) crystal growth, namely the face-selective effect of L-Asn on the L-Asp crystal growth rate in each direction, was examined. In the a-axis direction, the effect of L-Asn on the L-Asp crystal growth rate was small. Enhancement and inhibition of L-Asp crystal growth, and interestingly the dissolution of the L-Asp crystal face, were observed in the b-axis direction, depending on the amount of L-Asn added. In the c-axis direction, the L-Asp crystal growth rate decreased with the increase in the amount of L-Asn added, and the experimental results were well fitted with a Langmuir adsorption isotherm. The study showed that there were crystal growth conditions where enhancement and inhibition, as well as inhibition and dissolution, coexisted in the presence of an additive with a structure similar to the growing crystal.

Improved detector for the measurement of gamma radiation

NASA Astrophysics Data System (ADS)

Zelt, F. B.

1985-07-01

The present invention lies in the field of gamma ray spectrometry of geologic deposits and other materials, such as building materials (cement, asphalt, etc.) More specifically, the invention is an improved device for the gamma ray spetcrometery of gelogical deposits as a tool for petroleum exploration, geologic research and monitoring of radio-active materials such as in uranium mill tailings and the like. Improvement consists in enlarging the area of the receptor face and without any necessarily substantial increase in the volume of the receptor crystal over the current cylindrical shapes. The invention also provides, as a corollary of the increase in area receptor crystal face, a reduction in the weight of the amount of material necessary to provide effective shielding of the crystal from atmospheric radiation and radiation from deposits not under examination. The area of the receptor crystal face is increased by forming the crystal as a truncated cone with the shielding shaped as a hollow frustrum of a cone. A photomultiplier device is secured to the smaller face of the crystal. The improved detector shape can also be used in scintillometers which measure total gamma radiation.

Crystal structure and habit of dirithromycin acetone solvate: A combined experimental and simulative study

NASA Astrophysics Data System (ADS)

Yi, Qinhua; Chen, Jianfeng; Le, Yuan; Wang, Jiexin; Xue, Chunyu; Zhao, Hong

2013-06-01

Dirithromycin (DIR) was crystallized from acetone solvent in the form of an acetone solvate. Its crystal structure belongs to monoclinic, space group P21, with the unit cell parameters a=14.688(3) Å, b=11.6120(12) Å, c=14.9129(12) Å, β=94.794(10)°, and Z=2. Results of X-ray diffraction (XRD) and thermogravimetry-differential scanning calorimetry (TG-DSC) indicated that the solvent molecules could enter the crystal lattice and thus the solvate is formed. The molecular dynamics (MD) simulation method was applied to study the solvent effect. It revealed that the relative growth rates of the main crystal habit faces changed a lot, which made the most morphologically important habit face shift from (001) face to (100) face due to polar groups or atoms exposure and hence a large solvent interaction. The prism habit predicted by a modified attachment energy (AE) model agreed well with the observed experimental morphology grown from the acetone solution. This prediction method may help for a solvent selection to improve the morphology in the drug crystallization process.

Combined Lidar-Radar Remote Sensing: Initial Results from CRYSTAL-FACE and Implications for Future Spaceflight Missions

NASA Technical Reports Server (NTRS)

McGill, Matthew J.; Li, Li-Hua; Hart, William D.; Heymsfield, Gerald M.; Hlavka, Dennis L.; Vaughan, Mark A.; Winker, David M.

2003-01-01

In the near future NASA plans to fly satellites carrying a multi-wavelength backscatter lidar and a 94-GHz cloud profiling radar in formation to provide complete global profiling of cloud and aerosol properties. The CRYSTAL-FACE field campaign, conducted during July 2002, provided the first high-altitude colocated measurements from lidar and cloud profiling radar to simulate these spaceborne sensors. The lidar and radar provide complementary measurements with varying degrees of measurement overlap. This paper presents initial results of the combined airborne lidar-radar measurements during CRYSTAL-FACE. The overlap of instrument sensitivity is presented, within the context of particular CRYSTAL-FACE conditions. Results are presented to quantify the portion of atmospheric profiles sensed independently by each instrument and the portion sensed simultaneously by the two instruments.

A scanning electron microscope study of olivine crystal surfaces

NASA Technical Reports Server (NTRS)

Olsen, E. J.; Grossman, L.

1974-01-01

SEM photographs were taken of euhedral olivine grains from the Murchison C2 chondrite and several terrestrial and lunar occurrences. In general, the crystal faces of the meteorite grains are rough and uneven, with irregular growth patterns. They are very similar to crystal faces on terrestrial olivine grains that formed by sublimation from a vapor phase. They are very different from the relatively smooth and featureless surfaces of magmatic olivine crystals that precipitated from igneous melts. Qualitatively, the surface morphology of the crystal supports the contention that many euhedral crystals of olivine in C2 meteorites condensed from a gas phase.

Total Water Measurements Using In Situ UV Fragment Fluorescence Spectroscopy in Support of CRYSTAL-FACE

NASA Technical Reports Server (NTRS)

Anderson, James G.

2004-01-01

Given both the powerful diagnostic importance of the condensed phases of water for dynamics and the impact of phase changes in water on the radiation field, the accurate, in situ observation of total water is of central importance to CRYSTAL-FACE. This is clear both from the defined scientific objectives of the NRA and from developments in the coupled fields of stratosphere/troposphere exchange, cirrus cloud formation/removal and mechanisms for the distribution of water vapor in the middle/upper troposphere. Accordingly, we were funded under NASA Grant NAG5-115487 to perform the following tasks for the CRYSTAL-FACE mission that took place in Key West, Florida, during July 2001: 1) Prepare the Total Water instrument for integration into the WB57F and test flights scheduled for Spring 2002. 2) Calibrate and prepare the Total Water instrument for the Summer 2002 CRYSTAL-FACE science flights based in Jacksonville, Florida. 3) Provide both science and engineering support for the above-mentioned efforts. 4) Analyze and interpret the CRYSTAL-FACE data in collaboration with the other mission scientists. 5) Attend the proposed science workshop in Spring 2003. 6) Publish the data and analysis in peer-reviewed journals.

Dissolution of quartz in aqueous basic solution, 106-236 C - Surface kinetics of 'perfect' crystallographic faces

NASA Technical Reports Server (NTRS)

Gratz, Andrew J.; Bird, Peter; Quiro, Glenn B.

1990-01-01

A highly accurate method, called the negative crystal method, for determining the rate of dissolution on specific crystallographic faces of crystals was developed, in which the dissolution rates of nominally perfect crystal faces are obtained by measuring the size of individual negative crystals during a sequence of dissolution steps. The method was applied to determine the apparent activation energy and rate constants for the dissolution of quartz in 0.01 M KOH solutions at temperatures from 106 to 236 C. Also investigated were the effects of hydroxyl activity and ionic strength. The apparent activation energies for the dissolution of the prism and of the rhomb were determined.

Fabrication technology of Si face and m face on 4H-SiC (0001) epi-layer based on molten KOH etching

NASA Astrophysics Data System (ADS)

Lin, Wen-kui; Zeng, Chun-hong; Sun, Yu-hua; Zhang, Xuan; Li, Zhe; Yang, Tao-tao; Ju, Tao; Zhang, Bao-shun

2018-02-01

Additional scattering of electrons in the complex MOSFET channel caused by off-cut angle of (0001) 4H-SiC wafer, makes accurate crystal face acquisition much desired. Molten KOH was used to etch the circular grooves on the SiC wafer surface in muffle furnace, and hexagonal grooves with SiC crystal symmetry were obtained. Average etching rates at 500°C along <11-20> and <1-100> direction were about 4.826 um/min and 4.112 um/min, respectively,with a etching anisotropy ratio of 1.18. The m face was obtained by controlling the etching time and Si face was obtained by selfstopping effect. The method we developed in this paper has potential applications in the accurate crystal face acquisition of (0001) 4H-SiC epi-wafer, and the preparation of structures based on 4H-SiC.

Producing desired ice faces

PubMed Central

Shultz, Mary Jane; Brumberg, Alexandra; Bisson, Patrick J.; Shultz, Ryan

2015-01-01

The ability to prepare single-crystal faces has become central to developing and testing models for chemistry at interfaces, spectacularly demonstrated by heterogeneous catalysis and nanoscience. This ability has been hampered for hexagonal ice, Ih––a fundamental hydrogen-bonded surface––due to two characteristics of ice: ice does not readily cleave along a crystal lattice plane and properties of ice grown on a substrate can differ significantly from those of neat ice. This work describes laboratory-based methods both to determine the Ih crystal lattice orientation relative to a surface and to use that orientation to prepare any desired face. The work builds on previous results attaining nearly 100% yield of high-quality, single-crystal boules. With these methods, researchers can prepare authentic, single-crystal ice surfaces for numerous studies including uptake measurements, surface reactivity, and catalytic activity of this ubiquitous, fundamental solid. PMID:26512102

Determining the Molecular Growth Mechanisms of Protein Crystal Faces by Atomic Force Microscopy

NASA Technical Reports Server (NTRS)

Nadarajah, Arunan; Li, Huayu; Pusey, Marc L.

1999-01-01

A high resolution atomic force microscopy (AFM) study had shown that the molecular packing on the tetragonal lysozyme (110) face corresponded to only one of two possible packing arrangements, suggesting that growth layers on this face were of bimolecular height. Theoretical analyses of the packing also indicated that growth of this face should proceed by the addition of growth units of at least tetramer size corresponding to the 43 helices in the crystal. In this study an AFM linescan technique was devised to measure the dimensions of individual growth units on protein crystal faces as they were being incorporated into the lattice. Images of individual growth events on the (110) face of tetragonal lysozyme crystals were observed, shown by jump discontinuities in the growth step in the linescan images as shown in the figure. The growth unit dimension in the scanned direction was obtained from these images. A large number of scans in two directions on the (110) face were performed and the distribution of lysozyme growth unit sizes were obtained. A variety of unit sizes corresponding to 43 helices, were shown to participate in the growth process, with the 43 tetramer being the minimum observed size. This technique represents a new application for AFM allowing time resolved studies of molecular process to be carried out.

Cells Recognize and Prefer Bone-like Hydroxyapatite: Biochemical Understanding of Ultrathin Mineral Platelets in Bone.

PubMed

Liu, Cuilian; Zhai, Halei; Zhang, Zhisen; Li, Yaling; Xu, Xurong; Tang, Ruikang

2016-11-09

Hydroxyapatite (HAP) nanocrystallites in all types of bones are distinguished by their ultrathin characteristics, which are uniaxially oriented with fibrillar collagen to uniquely expose the (100) faces. We speculate that living organisms prefer the specific crystal morphology and orientation of HAP because of the interactions between cells and crystals at the mineral-cell interface. Here, bone-like platy HAP (p-HAP) and two different rod-like HAPs were synthesized to investigate the ultrathin mineral modulating effect on cell bioactivity and bone generation. Cell viability and osteogenic differentiation of mesenchymal stem cells (MSCs) were significantly promoted by the platy HAP with (100) faces compared to rod-like HAPs with (001) faces as the dominant crystal orientation, which indicated that MSCs can recognize the crystal face and prefer the (100) HAP faces. This face-specific preference is dependent on the selective adsorption of fibronectin (FN), a plasma protein that plays a central role in cell adhesion, on the HAP surface. This selective adsorption is further confirmed by molecule dynamics (MD) simulation. Our results demonstrate that it is an intelligent choice for cells to use ultrathin HAP with a large (100) face as a basic building block in the hierarchical structure of bone, which is crucial to the promotion of MSCs osteoinductions during bone formation.

Tunable pulsed narrow bandwidth light source

DOEpatents

Powers, Peter E.; Kulp, Thomas J.

2002-01-01

A tunable pulsed narrow bandwidth light source and a method of operating a light source are provided. The light source includes a pump laser, first and second non-linear optical crystals, a tunable filter, and light pulse directing optics. The method includes the steps of operating the pump laser to generate a pulsed pump beam characterized by a nanosecond pulse duration and arranging the light pulse directing optics so as to (i) split the pulsed pump beam into primary and secondary pump beams; (ii) direct the primary pump beam through an input face of the first non-linear optical crystal such that a primary output beam exits from an output face of the first non-linear optical crystal; (iii) direct the primary output beam through the tunable filter to generate a sculpted seed beam; and direct the sculpted seed beam and the secondary pump beam through an input face of the second non-linear optical crystal such that a secondary output beam characterized by at least one spectral bandwidth on the order of about 0.1 cm.sup.-1 and below exits from an output face of the second non-linear optical crystal.

Understanding the barriers to crystal growth: dynamical simulation of the dissolution and growth of urea from aqueous solution.

PubMed

Piana, Stefano; Gale, Julian D

2005-02-16

Both the dissolution and growth of a molecular crystalline material, urea, has been studied using dynamical atomistic simulation. The kinetic steps of dissolution and growth are clearly identified, and the activation energies for each possible step are calculated. Our molecular dynamics simulations indicate that crystal growth on the [001] face is characterized by a nucleation and growth mechanism. Nucleation on the [001] urea crystal face is predicted to occur at a very high rate, followed by rapid propagation of the steps. The rate-limiting step for crystallization is actually found to be the removal of surface defects, rather than the initial formation of the next surface layer. Through kinetic Monte Carlo modeling of the surface growth, it is found that this crystal face evolves via a rough surface topography, rather than a clean layer-by-layer mechanism.

Adsorption behavior of acetone solvent at the HMX crystal faces: A molecular dynamics study.

PubMed

Liu, Yingzhe; Yu, Tao; Lai, Weipeng; Ma, Yiding; Kang, Ying; Ge, Zhongxue

2017-06-01

Molecular dynamics simulations have been performed to understand the adsorption behavior of acetone (AC) solvent at the three surfaces of 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctan (HMX) crystal, i.e. (011), (110), and (020) faces. The simulation results show that the structural features and electrostatic potentials of crystal faces are determined by the HMX molecular packing, inducing distinct mass density distribution, dipole orientation, and diffusion of solvent molecules in the interfacial regions. The solvent adsorption is mainly governed by the van der Waals forces, and the crystal-solvent interaction energies among three systems are ranked as (020)≈(110)>(011). The adsorption sites for solvent incorporation at the crystal surface were found and visualized with the aid of occupancy analysis. A uniform arrangement of adsorption sites is observed at the rough (020) surface as a result of ordered adsorption motif. Copyright © 2017 Elsevier Inc. All rights reserved.

Crystallization of calcium oxalates is controlled by molecular hydrophilicity and specific polyanion-crystal interactions.

PubMed

Grohe, Bernd; Taller, Adam; Vincent, Peter L; Tieu, Long D; Rogers, Kem A; Heiss, Alexander; Sørensen, Esben S; Mittler, Silvia; Goldberg, Harvey A; Hunter, Graeme K

2009-10-06

To gain more insight into protein structure-function relationships that govern ectopic biomineralization processes in kidney stone formation, we have studied the ability of urinary proteins (Tamm-Horsfall protein, osteopontin (OPN), prothrombin fragment 1 (PTF1), bikunin, lysozyme, albumin, fetuin-A), and model compounds (a bikunin fragment, recombinant-, milk-, bone osteopontin, poly-L-aspartic acid (poly asp), poly-L-glutamic acid (poly glu)) in modulating precipitation reactions of kidney stone-related calcium oxalate mono- and dihydrates (COM, COD). Combining scanning confocal microscopy and fluorescence imaging, we determined the crystal faces of COM with which these polypeptides interact; using scanning electron microscopy, we characterized their effects on crystal habits and precipitated volumes. Our findings demonstrate that polypeptide adsorption to COM crystals is dictated first by the polypeptide's affinity for the crystal followed by its preference for a crystal face: basic and relatively hydrophobic macromolecules show no adsorption, while acidic and more hydrophilic polypeptides adsorb either nonspecifically to all faces of COM or preferentially to {100}/{121} edges and {100} faces. However, investigating calcium oxalates grown in the presence of these polypeptides showed that some acidic proteins that adsorb to crystals do not affect crystallization, even if present in excess of physiological concentrations. These proteins (albumin, bikunin, PTF1, recombinant OPN) have estimated total hydrophilicities from 200 to 850 kJ/mol and net negative charges from -9 to -35, perhaps representing a "window" in which proteins adsorb and coat urinary crystals (support of excretion) without affecting crystallization. Strongest effects on crystallization were observed for polypeptides that are either highly hydrophilic (>950 kJ/mol) and highly carboxylated (poly asp, poly glu), or else highly hydrophilic and highly phosphorylated (native OPN isoforms), suggesting that highly hydrophilic proteins strongly affect precipitation processes in the urinary tract. Therefore, the level of hydrophilicity and net charge is a critical factor in the ability of polypeptides to affect crystallization and to regulate biomineralization processes.

Supramolecular networks with electron transfer in two dimensions

DOEpatents

Stupp, Samuel I.; Stoddart, J. Fraser; Shveyd, Alexander K.; Tayi, Alok S.; Sue, Chi-Hau; Narayanan, Ashwin

2016-09-13

Organic charge-transfer (CT) co-crystals in a crossed stack system are disclosed. The co-crystals exhibit bidirectional charge transfer interactions where one donor molecule shares electrons with two different acceptors, one acceptor face-to-face and the other edge-to-face. The assembly and charge transfer interaction results in a pleochroic material whereby the optical absorption continuously changes depending on the polarization angle of incident light.

Structural and optical properties of indium-doped highly conductive ZnO bulk crystals grown by the hydrothermal technique

NASA Astrophysics Data System (ADS)

Wang, Buguo; Claflin, Bruce; Look, David; Jiménez, Juan

2018-02-01

Indium-doped ZnO bulk crystals grown by the hydrothermal method are highly-conductive, with resistivity at 0.01 Ωcm at room temperature as revealed by Hall-effect measurement. In this paper we report on structural and optical properties of these crystals. The grown In:ZnO crystals have been studied by high resolution X-ray diffraction, micro-Raman scattering and low-temperature photoluminescence and cathodoluminescence. It was found that the c lattice parameter of the grown In:ZnO crystal expanded 0.06% with respect to the lithium-doped ZnO crystal seed, and the In-doped ZnO overgrew the seed crystal pseudomorphically but with high quality crystallinity; the X-ray rocking curves show the FWHM of the Zn face and O faces are only 0.05° and 0.1° ; and the indium concentration in the crystal reaches the solubility limit. Raman spectra show strain relaxation gradually from the regrowth interface as well as a weak spectral feature at 723 cm-1. The peak at 312 cm-1 noticed in hydrothermally grown In:ZnO nanostructures does not appear in our In-doped crystals, indicating that this peak may be associated with specific defects (e.g. surface related) of the nanostructures. Photoluminescence measurements show that an indium donor bound exciton peak I9 (In0X) is the dominant peak in the PL spectrum, located at 3.3586 eV on the zinc face and 3.3577 eV on the oxygen face. Both of them deviated from the consensus literature value of 3.3567 eV, probably due to strain in the crystal induced by impurities.

Numerical simulation of flow and mass transfer for large KDP crystal growth via solution-jet method

NASA Astrophysics Data System (ADS)

Yin, Huawei; Li, Mingwei; Hu, Zhitao; Zhou, Chuan; Li, Zhiwei

2018-06-01

A novel technique of growing large crystals of potassium dihydrogen phosphate (KDP) named solution-jet method is proposed. The aim is to increase supersaturation on the pyramidal face, especially for crystal surface regions close to the rotation axis. The fluid flow and surface supersaturation distribution of crystals grown under different conditions were computed using the finite-volume method. Results indicate that the time-averaged supersaturation of the pyramidal face in the proposed method significantly increases and the supersaturation difference from the crystal center to edge clearly decreases compared with the rotating-crystal method. With increased jet velocity, supersaturation on the pyramidal face steadily increases. Rotation rate considerably affects the magnitude and distribution of the prismatic surface supersaturation. With increased crystal size, the mean value of surface supersaturation averaged over the pyramid gradually decreases; conversely, standard deviation increases, which is detrimental to crystal growth. Moreover, the significant roles played by natural and forced convection in the process of mass transport are discussed. Results show that further increased jet velocity to 0.6 m/s renders negligible the effects of natural convection around the pyramid. The simulation for step propagation indicates that solution-jet method can promote a steady step migration and enhance surface morphology stability, which can improve the crystal quality.

Determining the Molecular Growth Mechanisms of Protein Crystal faces by Atomic Force Microscopy

NASA Technical Reports Server (NTRS)

Li, Huayu; Nadarajah, Arunan; Pusey, Marc L.

1998-01-01

A high resolution atomic force microscopy (AFM) study had shown that the molecular packing on the tetragonal lysozyme (110) face corresponded to only one of two possible packing arrangements, suggesting that growth layers on this face were of bimolecular height (Li et al., 1998). Theoretical analyses of the packing had also indicated that growth of this face should proceed by the addition of growth units of at least tetramer size corresponding to the 43 helices in the crystal. In this study an AFM linescan technique was devised to measure the dimensions of individual growth units on protein crystal faces. The growth process of tetragonal lysozyme crystals was slowed down by employing very low supersaturations. As a result images of individual growth events on the (110) face were observed, shown by jump discontinuities in the growth step in the linescan images. The growth unit dimension in the scanned direction was obtained by suitably averaging these images. A large number of scans in two directions on the (110) face were performed and the distribution of lysozyme aggregate sizes were obtained. A variety of growth units, all of which were 43 helical lysozyme aggregates, were shown to participate in the growth process with a 43 tetramer being the minimum observed size. This technique represents a new application for AFM allowing time resolved studies of molecular process to be carried out.

Crystal faces of anhydrite (CaSO 4) and their preferential dissolution in aqueous solutions studied with AFM

NASA Astrophysics Data System (ADS)

Shindo, H.; Kaise, M.; Kondoh, H.; Nishihara, C.; Nozoye, H.

Structures of cleaved surfaces of anhydrite were studied with atomic force microscopy (AFM) before and after partial dissolution in aqueous solutions of NH 4Cl and NaHSO 4. Two crystal faces showed atom-resolved images just after cleavage, (100) and (010), of which the former was roughened by the dissolution, while step structures were developed on the latter. After dissolution, steplines ran along the a- and c-axes on the (010) face, while they ran in directions inclined to these axes before. It was revealed that the arrangement of dipoles is a key factor in determining stabilities of step structures on crystal faces. On the terraces, the arrangement of oxygen atoms of the sulfate groups and calcium ions were clearly observed.

Crystallographic control of surface structure on the sectoral zoning of iron in a diopside from Orford nickel mine (Quebec), Canada

NASA Astrophysics Data System (ADS)

Paquette, J.; Zangooi, A.; Thornton, K.

2004-05-01

The influence of surface structure on partitioning between mineral and melt (or solution) has been noted by other workers in a handful of minerals, including calcite, dolomite, apatite, topaz and diamond. Each one of these minerals displays at least one crystallographic face where steps present during crystal growth are not equivalent by symmetry. When this is the case, sectors grown at the edge of these steps commonly show differential incorporation of minor or trace elements. In the diopside investigated here, electron probe microanalyses performed on the as-grown (100) surface of several crystals show concentric and sectoral zoning defined by variations in Fe content. Atomic force microscopy (AFM) was used to study the surfaces of the three crystallographic forms present on the diopside crystals, with the goal of relating the compositional zoning to the surface structure of the faces. The dominant {100} faces are covered with growth hillocks consisting of four vicinal faces defined by steps parallel to [010] and [001]. The steps are often bunched into macrosteps and the resulting hillocks are visible optically. The steps along the two crystallographic directions show significant differences in straightness and smoothness that indicate non-equivalent kinetics. The wavier steps correspond to Fe-enriched areas within the {100} sectors. The {010} faces, next in morphological importance, are dominated by a single step orientation and show no differential incorporation. They display topography related to polysynthetic twinning. The {110} faces are much smaller and very few show resolvable steps. Sector zoning (i.e. diffential partitioning among non-equivalent crystallographic faces) has been described in the past from pyroxenes. Explanations have invoked either differences in surface structure among non-equivalent faces or their unequal growth rates. This particular occurrence indicates that trace element incorporation is, in fact, highly site-specific and that significant compositioinal zoning can be induced on a single face without invoking the effect of growth rate. The natural diopside crystals from the Orford nickel mine (Brompton, Quebec) show a unusual bladed habit flattened on {100} faces. Exceptional fluid chemistry during crystallization may therefore be required for the persistence of steps responsible for differential incorporation. Nevertheless, whenever this zoning is present, the trace element involved cannot be expected to reflect thermodynamic equilibrium between the solid and the fluid from which it crystallized.

Photonic crystal microprisms obtained by carving artificial opals

NASA Astrophysics Data System (ADS)

Fenollosa, R.; Ibisate, M.; Rubio, S.; López, C.; Meseguer, F.; Sánchez-Dehesa, J.

2003-01-01

A method for fabrication of photonic crystal prisms is demonstrated. The procedure is based on micromanipulation techniques, here applied to artificial opals. By means of a microgrinder an opal prism comprising a single crystal (several tens of microns in size) has been carved with three different faces: (111), (110), and (100). The faces were morphologically characterized by scanning electron microscopy and their optical reflectance spectra measured and compared with the theoretical band structure.

Crystallization of calcium oxalate monohydrate at dipalmitoylphosphatidylcholine monolayers in the presence of chondroitin sulfate A

NASA Astrophysics Data System (ADS)

Ouyang, Jian-Ming; Deng, Sui-Ping; Zhong, Jiu-Ping; Tieke, Bernd; Yu, Shu-Hong

2004-10-01

The growth and aggregation of calcium oxalate monohydrate (COM) crystals beneath dipalmitoylphosphatidylcholine (DPPC) monolayers in the presence of chondroitin sulfate A (C4S) was systematically examined under different surface pressure. The results indicated that the addition of C4S can inhibit the crystal growth and prevent the aggregation of COM crystals. Under a DPPC monolayer, well-defined three-dimensional hexagonal prisms and three-dimensional rhombus prisms with sharply angled tips were obtained. The DPPC monolayer at a surface pressure of 10 mN/m can match the Ca2+ distance of the (1 bar 0 1) face of COM better than at 20 mN/m. The addition of C4S could cooperatively modulate the interaction strength between the monolayer (or itself) with the specific morphology determining faces such as (1 bar 0 1) and (0 2 0), and thus results in remarkable stabilization of the (1 bar 0 1) faces. The dramatic changes in morphological details were due to the strong electrostatic interactions between the Ca2+-rich (1 bar 0 1) crystal faces of COM and the polyanionic polysaccharide C4S together with the negatively charged sites of the zwitterionic DPPC monolayers. The increase of the concentration of C4S can further enhance the stabilization of the (1 bar 0 1) face.

Modulation of polyepoxysuccinic acid on crystallization of calcium oxalate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Yanqing; Tang, Yongming, E-mail: tangym@njtech.edu.cn; Xu, Jinqiu

The influence of polyepoxysuccinic acid (PESA) on the phase composition and crystal morphology of calcium oxalate was investigated in this paper. It was found that the presence of PESA inhibited the growth of the monoclinic calcium oxalate monohydrate (COM) crystal and promoted the nucleation of the tetragonal calcium oxalate dihydrate (COD). In addition, with the increase in PESA concentration, the aggregation of COD crystals was reduced but the particle size was increased. Under the conditions of low calcium-to-oxalate ratio and high CaOx concentration, PESA could not effectively stabilize the formation of COD. Based on molecular dynamic simulations, the adsorption ofmore » PESA on CaOx crystal faces was confirmed. - Graphical abstract: Introduction of PESA into crystallization solutions promotes the formation of calcium oxalate dehydrate and modifies the morphology of crystals. - Highlights: • PESA induces the formation of COD at low supersaturation. • Establishment of Ca-rich surface augments the adsorption of PESA. • At Ca/Ox=0.5 PESA cannot induce the formation of COD compared with Ca/Ox=2. • Interaction of PESA with COM faces is stronger than that with COD faces.« less

Recognition of the DNA sequence by an inorganic crystal surface

PubMed Central

Sampaolese, Beatrice; Bergia, Anna; Scipioni, Anita; Zuccheri, Giampaolo; Savino, Maria; Samorì, Bruno; De Santis, Pasquale

2002-01-01

The sequence-dependent curvature is generally recognized as an important and biologically relevant property of DNA because it is involved in the formation and stability of association complexes with proteins. When a DNA tract, intrinsically curved for the periodical recurrence on the same strand of A-tracts phased with the B-DNA periodicity, is deposited on a flat surface, it exposes to that surface either a T- or an A-rich face. The surface of a freshly cleaved mica crystal recognizes those two faces and preferentially interacts with the former one. Statistical analysis of scanning force microscopy (SFM) images provides evidence of this recognition between an inorganic crystal surface and nanoscale structures of double-stranded DNA. This finding could open the way toward the use of the sequence-dependent adhesion to specific crystal faces for nanotechnological purposes. PMID:12361979

Theoretical modeling of zircon's crystal morphology according to data of atomistic calculations

NASA Astrophysics Data System (ADS)

Gromalova, Natalia; Nikishaeva, Nadezhda; Eremin, Nikolay

2017-04-01

Zircon is an essential mineral that is used in the U-Pb dating. Moreover, zircon is highly resistant to radioactive exposure. It is of great interest in solving both fundamental and applied problems associated with the isolation of high-level radioactive waste. There is significant progress in forecasting of the most energetically favorable crystal structures at the present time. Unfortunately, the theoretical forecast of crystal morphology at high technological level is under-explored nowadays, though the estimation of crystal equilibrium habit is extremely important in studying the physical and chemical properties of new materials. For the first time, the thesis about relation of the equilibrium shape of a crystal with its crystal structure was put forward in the works by O.Brave. According to it, the idealized habit is determined in the simplest case by a correspondence with the reticular densities Rhkl of individual faces. This approach, along with all subsequent corrections, does not take into account the nature of atoms and the specific features of the chemical bond in crystals. The atomistic calculations of crystal surfaces are commonly performed using the energetic characteristics of faces, namely, the surface energy (Esurf), which is a measure of the thermodynamic stability of the crystal face. The stable crystal faces are characterized by small positive values of Esurf. As we know from our previous research (Gromalova et al.,2015) one of the constitutive factors affecting the value of the surface energy in calculations is a choice of potentials model. In this regard, we studied several sets of parameters of atomistic interatomic potentials optimized previously. As the first test model («Zircon 1») were used sets of interatomic potentials of interaction Zr-O, Si-O and O-O in the form of Buckingham potentials. To improve playback properties of zircon additionally used Morse potential for a couple of Zr-Si, as well as the three-particle angular harmonic potential. The other sets of interatomic potentials («Zircon 2, Zircon 3») differed from the first in that parameters was found with the help of quantum-chemical calculations of the structure «ab initio».The surface energies for different faces of zircon were calculated using Metadise code (Watson et al., 1996) at P4-3000 personal computer with Windows XP operating system. The computation time for one simple form was from 30 minutes to 12 hours. Calculations have shown that depending on the chosen model the surface energy of zircons faces several changes. For example, Esurf of face (331) obtained using models of potentials «Zircon 2», «Zircon 3» sufficiently similar (2.82 and 3.01 J/mol2 respectively). Meaning of Esurf of this face, calculated on the basis of set «Zircon 1» significantly lower (1,54 J/mol2). With regard to the face (100), it has low surface energies when selecting all three models, with a minimum value (1,14 J/mol2) in the model «Zircon 1». References: Gromalova N.A., Eremin N.N., Urusov V.S. Atomistic computer modeling of the crystal-morpology of corundum group minerals // Zapiski RMO. V. 144. №4. 2015. p. 84-92. Watson G.W., Kelsey E.T., de Leeuw N.H., Harris D.J, Parker S.C. Atomistic simulation of dislocations, surfaces and interfaces in MgO. Journal of the Chemical Society Faraday Transactions. 1996. V.92 P. 433-438.

Scanning electron microscope view of iron crystal growing on pyroxene crystal

NASA Technical Reports Server (NTRS)

1972-01-01

A scanning electron microscope photograph of a four-micron size iron crystal growing on a pyroxene crystal (calcium-magnesium-iron silicate) from the Apollo 15 Hadley-Apennino lunar landing site. The well developed crystal faces indicate that the crystal was formed from a hot vapor as the rock was cooling.

Deformation relief evolution during sliding friction of Hadfield steel single crystal

NASA Astrophysics Data System (ADS)

Lychagin, D. V.; Filippov, A. V.; Novitskaya, O. S.; Kolubaev, A. V.; Sizova, O. V.

2017-12-01

The paper deals with the evolution of the deformation relief formed on lateral faces of single crystals of Hadfield steel during dry sliding friction. The use of single crystals with the predetermined orientation enables to analyze the development of shear systems subject to the duration of tribological tests. As the test duration increases, slip bands are curved and thicken in the near-surface region. After 24 hours of friction, single crystals of Hadfield steel demonstrate the maximum hardening. Afterwards, the wear process begins, which is followed by the repeated strain hardening of the specimens. After 48 hours of friction, the height of the deformation relief nearly halves on all of the three faces, as compared to that observed after 24 hours of friction. Differences in the propagation height of slip bands on the faces occur due to the uneven running-in as well as the complex involvement pattern of shear systems into the deformation process.

Top-seeded solution growth and morphology change of RbTiOPO4:Ta single crystal

NASA Astrophysics Data System (ADS)

Li, Ziqing; Chen, Yang; Zhu, Pengfei; Ji, Nianjing; Duan, Xiulan; Jiang, Huaidong

2018-04-01

The RbTiOPO4:Ta single crystal with dimensions of 4 mm × 31 mm × 18 mm was successfully grown by Top Seeded Solution Growth Technique. It is concluded that the doping Ta element can strongly influence the growth and morphology of the RbTiOPO4 crystal. The evident morphology change of RbTiOPO4:Ta crystal with respect to RbTiOPO4 crystal has been observed and the (1 0 0) crystal face was more developed than any other crystal faces. The possible reasons of the morphology change were analyzed through experimental and theoretical methods. Several methods were tried to increase crystallographic a direction dimension of RbTiOPO4:Ta crystals. Finally, the RbTiOPO4:Ta single crystal with crystallographic a direction dimension up to 6 mm was obtained by using thicker seed crystal. This way makes it possible to get isometric RbTiOPO4:Ta crystals, which is beneficial for nonlinear optical applications due to larger area in x-y plane.

The influence of crystal habit on the prediction of dry powder inhalation formulation performance using the cohesive-adhesive force balance approach.

PubMed

Hooton, Jennifer C; Jones, Matthew D; Harris, Haggis; Shur, Jagdeep; Price, Robert

2008-09-01

The aim of this investigation was to study the influence of crystalline habit of active pharmaceutical ingredients on the cohesive-adhesive force balance within model dry powder inhaler (DPI) formulations and the corresponding affect on DPI formulation performance. The cohesive-adhesive balance (CAB) approach to colloid probe atomic force microscopy (AFM) was employed to determine the cohesive and adhesive interactions of micronized budesonide particles against the {102} and {002} faces of budesonide single crystals and crystalline substrates of different sugars (cyclodextrin, lactose, trehalose, raffinose, and xylitol), respectively. These data were used to measure the relative level of cohesion and adhesion via CAB and the possible influence on in vitro performance of a carrier-based DPI formulation. Varying the crystal habit of the drug had a significant effect on the cohesive measurement of micronized budesonide probes, with the cohesive values on the {102} faces being approximately twice that on the {002} crystal faces. However, although different CAB values were measured with the sugars with respect to the crystal faces chosen for the cohesive-based measurement, the overall influence on the rank order of the CAB values was not directly influenced. For these data sets, the CAB gradient indicated that a decrease in the dominance of the adhesive forces led to a concomitant increase in fine particle delivery, reaching a plateau as the cohesive forces became dominant. The study suggested that crystal habit of the primary drug crystals influences the cohesive interactions and the resulting force balance measurements of colloid probe CAB analysis.

Face Centered Cubic and Hexagonal Close Packed Skyrmion Crystals in Centrosymmetric Magnets

NASA Astrophysics Data System (ADS)

Lin, Shi-Zeng; Batista, Cristian D.

2018-02-01

Skyrmions are disklike objects that typically form triangular crystals in two-dimensional systems. This situation is analogous to the so-called pancake vortices of quasi-two-dimensional superconductors. The way in which Skyrmion disks or "pancake Skyrmions" pile up in layered centrosymmetric materials is dictated by the interlayer exchange. Unbiased Monte Carlo simulations and simple stabilization arguments reveal face centered cubic and hexagonal close packed Skyrmion crystals for different choices of the interlayer exchange, in addition to the conventional triangular crystal of Skyrmion lines. Moreover, an inhomogeneous current induces a sliding motion of pancake Skyrmions, indicating that they behave as effective mesoscale particles.

Point-Wise Phase Matching for Nonlinear Frequency Generation in Dielectric Resonators

NASA Technical Reports Server (NTRS)

Yu, Nan (Inventor); Strekalov, Dmitry V. (Inventor); Lin, Guoping (Inventor)

2016-01-01

An optical resonator fabricated from a uniaxial birefringent crystal, such as beta barium borate. The crystal is cut with the optical axis not perpendicular to a face of the cut crystal. In some cases the optical axis lies in the plane of the cut crystal face. An incident (input) electromagnetic signal (which can range from the infrared through the visible to the ultraviolet) is applied to the resonator. An output signal is recovered which has a frequency that is an integer multiple of the frequency of the input signal. In some cases a prism is used to evanescently couple the input and the output signals to the resonator.

The use of moments of momentum to account for crystal habits

NASA Technical Reports Server (NTRS)

Barber, P. G.

1985-01-01

A three-step theory of crystal growth is proposed which involves first an association of molecules or ions in solution to form an impinging growth unit, then second the orientation of this unit prior to its impact on the surface of a crystal, and finally the attachment of this unit to the crystal face. From this theory the habit of a crystal is dependent upon the moments of momentum of the impinging growth unit. The results of sample calculations are presented or sodium chloride, succinic acid, sucrose, and chromium boride. The faces predicted by this proposed theory are compared with those predicted by other, energy-based calculations and with those experimentally observed. The proposed theory suggests alternative strategies for crystallization and habit modification which may be of technological importance. Listings of the two computer programs that were used are provided.

Structured laser gain-medium by new bonding for power micro-laser

NASA Astrophysics Data System (ADS)

Kausas, Arvydas; Zheng, Lihe; Taira, Takunori

2017-02-01

In this work, we have compared the Q-switched performance of single rod crystal to a newly developed distributed face cooling structure. This structure was made by surface activated bonding technology and allowed to combine transparent heatsink to a gain crystal at room temperature. The Sapphire and Nd3+:YAG crystal plates were combined in this fashion to produce eight crystal chip which was further used to obtain Q-switch pulses with Cr4+:YAG crystal as saturable absorber. Energy of 9 mJ and pulse duration of 815 ps were achieved. Although the energy obtained with single rod system was 10 mJ, the degradation of the beam prevents such crystal to be used in further applications. This is the first demonstration of distributed face cooling system outperformed conventionally single rod system.

Drug-polymer interactions at water-crystal interfaces and implications for crystallization inhibition: molecular dynamics simulations of amphiphilic block copolymer interactions with tolazamide crystals.

PubMed

Gao, Yi; Olsen, Kenneth W

2015-07-01

A diblock copolymer, poly(ethylene glycol)-block-poly(lactic acid) (PEG-b-PLA), modulates the crystal growth of tolazamide (TLZ), resulting in a crystal morphology change from needles to plates in aqueous media. To understand this crystal surface drug-polymer interaction, we conducted molecular dynamics simulations on crystal surfaces of TLZ in water containing PEG-b-PLA. A 130-ns simulation of the polymer in a large water box was run before initiating 50 ns simulations with each of the crystal surfaces. The simulations demonstrated differentiated drug-polymer interactions that are consistent with experimental studies. Interaction of PEG-b-PLA with the (001) face occurred more rapidly (≤10 ns) and strongly (total interaction energy of -121.1 kJ/mol/monomer) than that with the (010) face (∼35 ns, -85.4 kJ/mol/monomer). There was little interaction with the (100) face. Hydrophobic and van der Waals (VDW) interactions were the dominant forces, accounting for more than 90% of total interaction energies. It suggests that polymers capable of forming strong hydrophobic and VDW interactions might be more effective in inhibiting crystallization of poorly water-soluble and hydrophobic drugs in aqueous media (such as gastrointestinal fluid) than those with hydrogen-bonding capacities. Such in-depth analysis and understanding facilitate the rational selection of polymers in designing supersaturation-based enabling formulations. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

Molecular Recognition of Methyl α-d-Mannopyranoside by Antifreeze (Glyco)Proteins

PubMed Central

2015-01-01

Antifreeze proteins and glycoproteins [AF(G)Ps] have been well-known for more than three decades for their ability to inhibit the growth and recrystallization of ice through binding to specific ice crystal faces, and they show remarkable structural compatibility with specific ice crystal faces. Here, we show that the crystal growth faces of methyl α-d-mannopyranoside (MDM), a representative pyranose sugar, also show noteworthy structural compatibility with the known periodicities of AF(G)Ps. We selected fish AFGPs (AFGP8, AFGP1–5), and a beetle AFP (DAFP1) with increasing antifreeze activity as potential additives for controlling MDM crystal growth. Similar to their effects on ice growth, the AF(G)Ps can inhibit MDM crystal growth and recrystallization, and more significantly, the effectiveness for the AF(G)Ps are well correlated with their antifreeze activity. MDM crystals grown in the presence of AF(G)Ps are smaller and have better defined shapes and are of higher quality as indicated by single crystal X-ray diffraction and polarized microscopy than control crystals, but no new polymorphs of MDM were identified by single crystal X-ray diffraction, solid-state NMR, and attenuated total reflectance infrared spectroscopy. The observed changes in the average sizes of the MDM crystals can be related to the changes in the number of the MDM nuclei in the presence of the AF(G)Ps. The critical free energy change differences of the MDM nucleation in the absence and presence of the additives were calculated. These values are close to those of the ice nucleation in the presence of AF(G)Ps suggesting similar interactions are involved in the molecular recognition of MDM by the AF(G)Ps. To our knowledge this is the first report where AF(G)Ps have been used to control crystal growth of carbohydrates and on AFGPs controlling non-ice-like crystals. Our finding suggests MDM might be a possible alternative to ice for studying the detailed mechanism of AF(G)P–crystal interactions. The relationships between AF(G)Ps and carbohydrate binding proteins are also discussed. The structural compatibility between AF(G)Ps and growing crystal faces demonstrated herein adds to the repertoire of molecular recognition by AF(G)Ps, which may have potential applications in the sugar, food, pharmaceutical, and materials industries. PMID:24918258

Numerical study of slip system activity and crystal lattice rotation under wedge nanoindents in tungsten single crystals

NASA Astrophysics Data System (ADS)

Volz, T.; Schwaiger, R.; Wang, J.; Weygand, S. M.

2018-05-01

Tungsten is a promising material for plasma facing components in future nuclear fusion reactors. In the present work, we numerically investigate the deformation behavior of unirradiated tungsten (a body-centered cubic (bcc) single crystal) underneath nanoindents. A finite element (FE) model is presented to simulate wedge indentation. Crystal plasticity finite element (CPFE) simulations were performed for face-centered and body-centered single crystals accounting for the slip system family {110} <111> in the bcc crystal system and the {111} <110> slip family in the fcc system. The 90° wedge indenter was aligned parallel to the [1 ¯01 ]-direction and indented the crystal in the [0 1 ¯0 ]-direction up to a maximum indentation depth of 2 µm. In both, the fcc and bcc single crystals, the activity of slip systems was investigated and compared. Good agreement with the results from former investigations on fcc single crystals was observed. Furthermore, the in-plane lattice rotation in the material underneath an indent was determined and compared for the fcc and bcc single crystals.

Spatially resolved analysis of short-range structure perturbations in a plastically bent molecular crystal

NASA Astrophysics Data System (ADS)

Panda, Manas K.; Ghosh, Soumyajit; Yasuda, Nobuhiro; Moriwaki, Taro; Mukherjee, Goutam Dev; Reddy, C. Malla; Naumov, Panče

2015-01-01

The exceptional mechanical flexibility observed with certain organic crystals defies the common perception of single crystals as brittle objects. Here, we describe the morphostructural consequences of plastic deformation in crystals of hexachlorobenzene that can be bent mechanically at multiple locations to 360° with retention of macroscopic integrity. This extraordinary plasticity proceeds by segregation of the bent section into flexible layers that slide on top of each other, thereby generating domains with slightly different lattice orientations. Microscopic, spectroscopic and diffraction analyses of the bent crystal showed that the preservation of crystal integrity when stress is applied on the (001) face requires sliding of layers by breaking and re-formation of halogen-halogen interactions. Application of stress on the (100) face, in the direction where π···π interactions dominate the packing, leads to immediate crystal disintegration. Within a broader perspective, this study highlights the yet unrecognized extraordinary malleability of molecular crystals with strongly anisotropic supramolecular interactions.

Parallel computational and experimental studies of the morphological modification of calcium carbonate by cobalt

NASA Astrophysics Data System (ADS)

Braybrook, A. L.; Heywood, B. R.; Jackson, R. A.; Pitt, K.

2002-08-01

Crystal growth can be controlled by the incorporation of dopant ions into the lattice and yet the question of how such substituents affect the morphology has not been addressed. This paper describes the forms of calcite (CaCO 3) which arise when the growth assay is doped with cobalt. Distinct and specific morphological changes are observed; the calcite crystals adopt a morphology which is dominated by the {01.1} family of faces. These experimental studies paralleled the development of computational methods for the analysis of crystal habit as a function of dopant concentration. In this case, the predicted defect morphology also argued for the dominance of the (01.1) face in the growth form. The appearance of this face was related to the preferential segregation of the dopant ions to the crystal surface. This study confirms the evolution of a robust computational model for the analysis of calcite growth forms under a range of environmental conditions and presages the use of such tools for the predictive development of crystal morphologies in those applications where chemico-physical functionality is linked closely to a specific crystallographic form.

Synthesis, crystal structure, and electrical and magnetic properties of BaMo{sub 6}Te{sub 6}: A novel reduced molybdenum telluride containing infinite chains of trans-face shared Mo{sub 6} octahedra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gall, Philippe; Guizouarn, Thierry; Potel, Michel

Powder samples and single crystals of the new ternary compound BaMo{sub 6}Te{sub 6} were obtained by solid state reaction. The structure was determined by single-crystal X-ray diffraction. BaMo{sub 6}Te{sub 6} crystallizes in the hexagonal space group P6{sub 3}/m (No. 176) with unit-cell parameters a=9.3941(2) Å, c=4.5848(1) Å and Z=1. Full-matrix least-squares refinement on F{sup 2} using 452 independent reflections for 17 refinable parameters resulted in R1=0.0208 and wR2=0.0539. The structure consists of one-dimensional infinite chains of trans-face shared Mo{sub 6} octahedra capped by Se atoms. These chains that are running along the c axis are separated from each other bymore » nine-coordinate Ba atoms. Resistivity measurements on a single crystal indicated that the BaMo{sub 6}Te{sub 6} compound is metallic down to 160 K and semiconductor below. Magnetic susceptibility measurements showed that BaMo{sub 6}Te{sub 6} is weakly diamagnetic with no anomaly at the metal–semiconductor transition. - Graphical abstract: We present here the synthesis, the crystal structure, and the electrical and magnetic properties of the new compound BaMo{sub 6}Te{sub 6} containing infinite chains of trans-face shared Mo{sub 6} octahedra. - Highlights: • BaMo{sub 6}Te{sub 6} contains infinite chains of trans-face-sharing Mo{sub 6} octahedra |Mo{sub 6/2}|{sub ∞}{sup 1}. • Synthesis by solid state reaction. • Single-crystal X-ray study. • Continuous metal–nonmetal transition. • Anderson localization.« less

Electromigration process for the purification of molten silicon during crystal growth

DOEpatents

Lovelace, Alan M. Administrator of the National Aeronautics and Space; Shlichta, Paul J.

1982-01-01

A process for the purification of molten materials during crystal growth by electromigration of impurities to localized dirty zones. The process has particular applications for silicon crystal growth according to Czochralski techniques and edge-defined film-fed growth (EFG) conditions. In the Czochralski crystal growing process, the impurities are electromigrated away from the crystallization interface by applying a direct electrical current to the molten silicon for electromigrating the charged impurities away from the crystal growth interface. In the EFG crystal growth process, a direct electrical current is applied between the two faces which are used in forming the molten silicon into a ribbon. The impurities are thereby migrated to one side only of the crystal ribbon. The impurities may be removed or left in place. If left in place, they will not adversely affect the ribbon when used in solar collectors. The migration of the impurity to one side only of the silicon ribbon is especially suitable for use with asymmetric dies which preferentially crystallize uncharged impurities along one side or face of the ribbon.

Crystal Face Distributions and Surface Site Densities of Two Synthetic Goethites: Implications for Adsorption Capacities as a Function of Particle Size.

PubMed

Livi, Kenneth J T; Villalobos, Mario; Leary, Rowan; Varela, Maria; Barnard, Jon; Villacís-García, Milton; Zanella, Rodolfo; Goodridge, Anna; Midgley, Paul

2017-09-12

Two synthetic goethites of varying crystal size distributions were analyzed by BET, conventional TEM, cryo-TEM, atomic resolution STEM and HRTEM, and electron tomography in order to determine the effects of crystal size, shape, and atomic scale surface roughness on their adsorption capacities. The two samples were determined by BET to have very different site densities based on Cr VI adsorption experiments. Model specific surface areas generated from TEM observations showed that, based on size and shape, there should be little difference in their adsorption capacities. Electron tomography revealed that both samples crystallized with an asymmetric {101} tablet habit. STEM and HRTEM images showed a significant increase in atomic-scale surface roughness of the larger goethite. This difference in roughness was quantified based on measurements of relative abundances of crystal faces {101} and {201} for the two goethites, and a reactive surface site density was calculated for each goethite. Singly coordinated sites on face {210} are 2.5 more dense than on face {101}, and the larger goethite showed an average total of 36% {210} as compared to 14% for the smaller goethite. This difference explains the considerably larger adsorption capacitiy of the larger goethite vs the smaller sample and points toward the necessity of knowing the atomic scale surface structure in predicting mineral adsorption processes.

A molecular dynamics simulation of solvent effects on the crystal morphology of HMX.

PubMed

Duan, Xiaohui; Wei, Chunxue; Liu, Yonggang; Pei, Chonghua

2010-02-15

The solvent has a large effect on the crystal morphology of the organic explosive compound octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX, C(4)H(8)N(8)O(8)). The attachment energy calculations predict a growth morphology in vacuum dominated by (020), (011), (102 ), (111 ) and (100) crystal forms. Molecular dynamics simulations are performed for these crystal faces of HMX in contact with acetone solvent. A corrected attachment energy model, accounting for the surface chemistry and the associated topography (step structure) of the habit crystal plane, is applied to predict the morphological importance of a crystal surface in solvent. From the solvent-effected attachment energy calculations it follows that the (100) face becomes morphologically more important compared with that in vacuum, while the (020) and (102 ) are not visible at all. This agrees well with the observed experimental HMX morphology grown from the acetone solution.

Electro-optic modulator material

DOEpatents

Adams, John J.; Ebbers, Chris A.

2005-02-22

An electro-optic device for use with a laser beam. A crystal has a first face and a second face. Means are provided for applying a voltage across the crystal to obtain a net phase retardation on the polarization of the laser beam when the laser beam is passed through the crystal. In one embodiment the crystal is composed of a compound having the chemical formula ReAe40(BO3)3 where: RE consists of one or more of the following elements La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu and two other elements Y and Sc; and where Ae is from the list of Ca, Sr, or Ba.

Direct flow crystal growth system

DOEpatents

Montgomery, Kenneth E.; Milanovich, Fred P.

1992-01-01

A crystal is grown in a constantly filtered solution which is flowed directly into the growing face of a crystal. In a continuous flow system, solution at its saturation temperature is removed from a crystal growth tank, heated above its saturation temperature, filtered, cooled back to its saturation temperature, and returned to the tank.

Electron microscopic and optical studies of prism faces of synthetic quartz

NASA Technical Reports Server (NTRS)

Buzek, B. C.; Vagh, A. S.

1977-01-01

Application of electron and optical microscopic techniques to the study of growth spirals on quartz crystal faces is described. Attention is centered on the centers of the spirals and on screw ledges; overhanging kinks are revealed on one side of the spiral centers. The possibility that these special features may have developed after growth of the crystals went to completion is explored. The conjecture is raised that such structures might result from adsorption of growth-inhibiting impurities at the center of the growth spiral on the quartz habit faces.

Retrieval and Validation of Cirrus Cloud Properties with the Far-Infrared Sensor for Cirrus (FIRSC) During CRYSTAL-FACE

NASA Technical Reports Server (NTRS)

Evans, K. Franklin

2004-01-01

This grant supported the principal investigator's analysis of data obtained during CRYSTAL-FACE by two submillimeter-wave radiometers: the Far-Infrared Sensor for Cirrus (FIRSC) and the Conical Scanning Submillimeter-wave Imaging Radiometer (CoSSIR). The PI led the overall FIRSC investigation, though Co-I Michael Vanek led the instrument component at NASA Langley. The overall CoSSIR investigation was led by James Wang at NASA Goddard, but the cirrus retrieval and validation was performed at the University of Colorado. The goal of this research was to demonstrate the submillimeter-wave cirrus cloud remote sensing technique, provide retrievals of ice water path (IWP) and median mass particle diameter (D(sub me)), and perform validation of the cirrus retrievals using other CRYSTAL-FACE datasets.

Adsorption mechanisms of the nonequilibrium incorporation of admixtures in a growing crystal

NASA Astrophysics Data System (ADS)

Franke, V. D.; Punin, Yu. O.; Smetannikova, O. G.; Kenunen, D. S.

2007-12-01

The nonequilibrium partition of components between a crystal and solution is mainly controlled by impurity adsorption on the surface of the growing crystal. The specificity of adsorption on the faces of various simple forms leads to the sectorial zoning of crystals. This effect was studied experimentally for several crystallizing systems with different impurities, including isomorphous, 2d-isomorphous, and nonisomorphous, readily adsorbed impurities. In all systems, the sectorial selectivity of impurity incorporation into host crystals has been detected with partition coefficients many times higher than in the case of equilibrium partition. Specific capture of impurities by certain faces is accompanied by inhibition of their growth and modification of habit. The decrease in nonequilibrium partition coefficients with degree of oversaturation provides entrapment of impurities in the growing crystals. Thereby, the adsorption mechanism works in much the same mode for impurities of quite different nature. The behavior of partition coefficient differs drastically from impurity capturing by diffusion mechanism.

Modeling the Growth Rates of Tetragonal Lysozyme Crystal Faces

NASA Technical Reports Server (NTRS)

Li, Meirong; Nadarajah, Arunan; Pusey, Marc L.

1998-01-01

The measured macroscopic growth rates of the (110) and (101) faces of tetragonal lysozyme show an unexpectedly complex dependence on the supersaturation. The growth rates decay asymptotically to zero when the supersaturation is lowered to zero and increase rapidly when the supersaturation is increased. When supersaturations are increased still further the growth rates attain a maximum before starting to decrease. However, growth of these crystals is known to proceed by the classical dislocation and 2D nucleation growth mechanisms. This anomaly can be explained if growth is assumed to occur not by monomer units but by lysozyme aggregates. Analysis of the molecular packing of these crystals revealed that they were constructed of strongly bonded 4(sub 3) helices, while weaker bonds were responsible for binding the helices to each other. It follows that during crystal growth the stronger bonds are formed before the weaker ones. Thus, the growth of these crystals could be viewed as a two step process: aggregate growth units corresponding to the 4(sub 3) helix are first formed in the bulk solution by stronger intermolecular bonds and then attached to the crystal face by weaker bonds on dislocation hillocks or 2D islands. This will lead to a distribution of aggregates in the solution with monomers and lower order aggregates being predominant at low supersaturations and higher order aggregates being predominant at high supersaturations. If the crystal grows mostly by higher order aggregates, such as tetramers and octamers, it would explain the anomalous dependence of the growth rates on the supersaturation. Besides the analysis of molecular packing, a comprehensive analysis of the measured (110) and (101) growth rates was also undertaken in this study. The distribution of aggregates in lysozyme nutrient solutions at various solution conditions were determined from reversible aggregation reactions at equilibrium. The supersaturation was defined for each aggregate species with respect to its concentration at saturation in order to apply growth rate models to this process. The measured growth rates were then compared with the predicted ones from several dislocation and 2D nucleation growth models, employing tetramer and octamer growth units in polydisperse solutions and monomer units in monodisperse solutions. For the (110) face, the calculations consistently showed that the measured growth rates followed the expected model relations with octamer growth units. For the (101) face, it is not possible to obtain a clear agreement between the predicted and measured growth rates for a single growth unit as done for the (110) face. However, the calculations do indicate that the average size of the growth unit is between a tetramer and an octamer. This suggests that tetramers, octamers and other intermediate size growth units all participate in the growth process for this face. These calculations show that it is possible to model the macroscopic protein crystal growth rates if the molecular level processes can be account for, particularly protein aggregation processes in the bulk solution. Our recent investigations of tetragonal lysozyme crystals employing high resolution atomic force microscopy scans have further confirmed the growth of these crystals by aggregate growth units corresponding to 4(sub 3) helices.

Effect of surface site interactions on potentiometric titration of hematite (α-Fe2O3) crystal faces.

PubMed

Chatman, Shawn; Zarzycki, P; Preočanin, T; Rosso, K M

2013-02-01

Time dependent potentiometric pH titrations were used to study the effect of atomic scale surface structure on the protonation behavior of the structurally well-defined hematite/electrolyte interfaces. Our recently proposed thermodynamic model [1,25] was applied to measured acidimetric and alkalimetric titration hysteresis loops, collected from highly organized (001), (012), and (113) crystal face terminations using pH equilibration times ranging from 15 to 30 min. Hysteresis loop areas indicate that (001) faces equilibrate faster than the (012) and (113) faces, consistent with the different expected ensembles of singly-, doubly-, and triply-coordinated surface sites on each face. Strongly non-linear hysteretic pH-potential relationships were found, with slopes exceeding Nernstian, collectively indicating that protonation and deprotonation is much more complex than embodied in present day surface complexation models. The asymmetrical shape of the acidimetric and alkalimetric titration branches were used to illustrate a proposed steric "leaky screen" repulsion/trapping interaction mechanism that stems from high affinity singly-coordinated sites electrostatically and sterically screening lower affinity doubly- and triply-coordinated sites. Our data indicate that site interaction is the dominant phenomenon defining surface potential accumulation behavior on single crystal faces of metal oxide minerals. Copyright © 2012 Elsevier Inc. All rights reserved.

Mimicking the biomolecular control of calcium oxalate monohydrate crystal growth: effect of contiguous glutamic acids.

PubMed

Grohe, Bernd; Hug, Susanna; Langdon, Aaron; Jalkanen, Jari; Rogers, Kem A; Goldberg, Harvey A; Karttunen, Mikko; Hunter, Graeme K

2012-08-21

Scanning confocal interference microscopy (SCIM) and molecular dynamics (MD) simulations were used to investigate the adsorption of the synthetic polypeptide poly(l-glutamic acid) (poly-glu) to calcium oxalate monohydrate (COM) crystals and its effect on COM formation. At low concentrations (1 μg/mL), poly-glu inhibits growth most effectively in ⟨001⟩ directions, indicating strong interactions of the polypeptide with {121} crystal faces. Growth in <010> directions was inhibited only marginally by 1 μg/mL poly-glu, while growth in <100> directions did not appear to be affected. This suggests that, at low concentrations, poly-glu inhibits lattice-ion addition to the faces of COM in the order {121} > {010} ≥ {100}. At high concentrations (6 μg/mL), poly-glu resulted in the formation of dumbbell-shaped crystals featuring concave troughs on the {100} faces. The effects on crystal growth indicate that, at high concentrations, poly-glu interacts with the faces of COM in the order {100} > {121} > {010}. This mirrors MD simulations, which predicted that poly-glu will adsorb to a {100} terrace plane (most calcium-rich) in preference to a {121} (oblique) riser plane but will adsorb to {121} riser plane in preference to an {010} terrace plane (least calcium-rich). The effects of different poly-glu concentration on COM growth (1-6 μg/mL) may be due to variations between the faces in terms of growth mechanism and/or (nano)roughness, which can affect surface energy. In addition, 1 μg/mL might not be adequate to reach the critical concentration for poly-glu to significantly pin step movement on {100} and {010} faces. Understanding the mechanisms involved in these processes is essential for the development of agents to reduce recurrence of kidney stone disease.

Hands-Free Transcranial Color Doppler Probe

NASA Technical Reports Server (NTRS)

Chin, Robert; Madala, Srihdar; Sattler, Graham

2012-01-01

Current transcranial color Doppler (TCD) transducer probes are bulky and difficult to move in tiny increments to search and optimize TCD signals. This invention provides miniature motions of a TCD transducer probe to optimize TCD signals. The mechanical probe uses spherical bearing in guiding and locating the tilting crystal face. The lateral motion of the crystal face as it tilts across the full range of motion was achieved by minimizing the distance between the pivot location and the crystal face. The smallest commonly available metal spherical bearing was used with an outer diameter of 12 mm, a 3-mm tall retaining ring, and 5-mm overall height. Small geared motors were used that would provide sufficient power in a very compact package. After confirming the validity of the basic positioning concept, optimization design loops were completed to yield the final design.

CRYSTAL/FACE

NASA Technical Reports Server (NTRS)

Baumgardner, Darrel; Kok, Greg; Anderson, Bruce

2004-01-01

Droplet Measurement Technologies (DMT), under funding from NASA, participated in the CRYSTAL/FACE field campaign in July, 2002 with measurements of cirrus cloud hydrometeors in the size range from 0.5 to 1600 microns. The measurements were made with the DMT Cloud, Aerosol and Precipitation Spectrometer (CAPS) that was flown on NASA's WB57F. With the exception of the first research flight when the data system failed two hours into the mission, the measurement system performed almost flawlessly during the thirteen flights. The measurements from the CAPS have been essential for interpretation of cirrus cloud properties and their impact on climate. The CAPS data set has been used extensively by the CRYSTAL/FACE investigators and as of the date of this report, have been included in five published research articles, 10 conference presentations and six other journal articles currently in preparation.

An Investigation into the Effects of Additives on Crystal Characteristics and Impact Sensitivity of RDX

NASA Astrophysics Data System (ADS)

Wang, Dong-Xu; Chen, Shu-Sen; Li, Yan-Yue; Yang, Jia-Yun; Wei, Tian-Yu; Jin, Shao-Hua

2014-07-01

Additives are one of the most important factors that greatly affect the crystal characteristics of the high energy compound hexahydro-1,3,5-trinitro-1,3,5-s-triazine (RDX, C3H6N6O6) and they have an influence on impact sensitivity. In this article, a growth morphology method was applied to obtain the crystal habit of RDX in a vacuum as well as the morphologically important faces, and molecular dynamics simulations were applied to calculate the interaction energy between these crystal faces and additive molecules for prediction of the additive-effect crystal habits of RDX. On this basis, crystal characteristics including crystal morphology, aspect ratio, and total surface charge were investigated. Then the particle size and surface electrostatic voltage of the samples from recrystallization were analyzed experimentally. The impact sensitivity test indicated that acrylamide, which could enhance the regularity and degree of sphericity of RDX crystals and effectively reduce the surface static electricity of RDX, was successful in reducing the impact sensitivity of RDX as an additive for crystallization. The above experimental results were in good agreement with the conclusions based on the theoretical calculations.

Crystal growth and dislocation etch pits observation of chalcopyrite CdSiP2

NASA Astrophysics Data System (ADS)

He, Zhiyu; Zhao, Beijun; Zhu, Shifu; Chen, Baojun; Huang, Wei; Lin, Li; Feng, Bo

2018-01-01

CdSiP2 is the only crystal that can offer Non-critical Phase Matching (NCPM) for a 1064 nm pumped optical parametric oscillation (OPO) with idler output in the 6 μm range. In this paper, a large, crack-free CdSiP2 single crystal measuring 18 mm in diameter and 65 mm in length was successfully grown by the Vertical Bridgman method (MVB) with an explosion-proof quartz ampoule. The results of lattice parameters, element composition and IR transmittance of the as-grown crystal characterized by X-ray diffraction (XRD), energy dispersive X-ray spectrometer (EDS) and Fourier transformation infrared spectrometer (FTIR) showed the as grown crystal crystallized well and the absorption coefficients at 4878 cm-1 and 2500 cm-1 were 0.14 cm-1 and 0.06 cm-1. Moreover, a new etchant composed of Br2, HCl, HNO3, CH3OH and H2O (1:800:800:400:400 in volume ratio) was prepared and the dislocation etch pits on oriented faces of as-grown CdSiP2 crystal were observed for the first time. It is found the etch pits are in rectangular structure on the (1 0 1) face, but in trigonal pyramid structure on (3 1 2) face. According to the quantities of the etch pits, the average densities of dislocation were evaluated to be 2.28 × 105/cm2 and 1.4 × 105/cm2, respectively.

Crystallization mechanisms of acicular crystals

NASA Astrophysics Data System (ADS)

Puel, François; Verdurand, Elodie; Taulelle, Pascal; Bebon, Christine; Colson, Didier; Klein, Jean-Paul; Veesler, Stéphane

2008-01-01

In this contribution, we present an experimental investigation of the growth of four different organic molecules produced at industrial scale with a view to understand the crystallization mechanism of acicular or needle-like crystals. For all organic crystals studied in this article, layer-by-layer growth of the lateral faces is very slow and clear, as soon as the supersaturation is high enough, there is competition between growth and surface-activated secondary nucleation. This gives rise to pseudo-twinned crystals composed of several needle individuals aligned along a crystallographic axis; this is explained by regular over- and inter-growths as in the case of twinning. And when supersaturation is even higher, nucleation is fast and random. In an industrial continuous crystallization, the rapid growth of needle-like crystals is to be avoided as it leads to fragile crystals or needles, which can be partly broken or totally detached from the parent crystals especially along structural anisotropic axis corresponding to weaker chemical bonds, thus leading to slower growing faces. When an activated mechanism is involved such as a secondary surface nucleation, it is no longer possible to obtain a steady state. Therefore, the crystal number, size and habit vary significantly with time, leading to troubles in the downstream processing operations and to modifications of the final solid-specific properties. These results provide valuable information on the unique crystallization mechanisms of acicular crystals, and show that it is important to know these threshold and critical values when running a crystallizer in order to obtain easy-to-handle crystals.

Critical Supersaturation for Ice Crystal Growth: Laboratory Measurements and Atmospheric Modeling Implications

NASA Astrophysics Data System (ADS)

Magee, N.; Moyle, A.; Lamb, D.

2003-12-01

An improved understanding of ice crystal growth, particularly at low temperatures, is much in demand for the advancement of numerical modeling of atmospheric processes. Cirrus models must contend with the complexity of ice crystals growing in cold temperatures, low pressures, low supersaturations, and with multiple nucleation mechanisms. Recent observations have allowed increasingly realistic parameterizations of cirrus ice crystal microphysics, but these observations need to be supplemented by a fundamental understanding of growth processes affecting low-temperature crystals. Several experimental studies have demonstrated that certain ice crystals require a minimum "critical" supersaturation before exhibiting detectable growth. These crystals are presumed to be essentially defect-free, preventing vicinal hillock growth at the site of crystal dislocations. In the case of crystal growth by spiral dislocation, advancement of faces begins as soon as supersaturation is present. The finding of conditional critical supersaturations have analogies in other materials (metals, semiconductors, potassium dihydrogen phosphate) and are thermodynamically predicted given a two-dimensional nucleation growth mechanism. Previous measurements have determined the critical supersaturation for ice as a function of temperature and crystallographic face from 0 to --15° C with extrapolation to --30° C. For both basal and prism faces, critical supersaturation is seen to increase with decreasing temperature, suggesting that low-temperature, low-supersaturation processes are most likely to be affected by this critical contingency. We present laboratory results to verify and extend prior critical supersaturation measurements using a novel approach for supersaturation generation, control, and measurement. The crystals are grown on the tip of a fine glass fiber ( ˜10 microns in diameter) under varying conditions of temperature, pressure, and saturation. Supersaturation is generated when a pre-saturated airflow passes over a coil of ice warmed by electrical resistance upstream from the growing crystal. Supersaturation is determined by a system of differential thermocouples calibrated to sulfuric acid drop size measurements. Measurements follow those made in earlier studies, but also extend to temperatures of --45° C, mimicking conditions found in some high altitude clouds.

Crystallization of phycoerythrocyanin from the cyanobacterium Mastigocladus laminosus and preliminary characterization of two crystal forms.

PubMed

Rümbeli, R; Schirmer, T; Bode, W; Sidler, W; Zuber, H

1985-11-05

The light-harvesting protein phycoerythrocyanin from the cyanobacterium Mastigocladus laminosus Cohn has been crystallized in two different crystal forms by vapour diffusion. In 5% (w/v) polyethylene glycol at pH 8.5, hexagonal crystals of space group P63 with cell constants a = b = 158 A, c = 40.6 A were obtained, which turned out to be almost isomorphous with the hexagonal crystals of C-phycocyanin from the same organism. Consequently, the conformation of both phycobiliproteins must be very similar. From 1.5 M-ammonium sulfate (pH 8.5), orthorhombic crystals of space group P2221 with cell constants a = 60.5 A, b = 105 A, c = 188 A could be grown. Density measurements of these crystals indicate that the unit cell contains 18 (alpha beta)-units. A detailed packing scheme is proposed that is consistent with the observed pseudo-hexagonal X-ray intensity pattern and with the known size and shape of (alpha beta)3-trimers of C-phycocyanin. Accordingly, disc-like (alpha beta)3-trimers are associated face-to-face and stacked one upon another in rods with a period of 60.5 A, corresponding to the cell dimension a.

Mechanisms of heterogeneous crystal growth in atomic systems: insights from computer simulations.

PubMed

Gulam Razul, M S; Hendry, J G; Kusalik, P G

2005-11-22

In this paper we analyze the atomic-level structure of solid/liquid interfaces of Lennard-Jones fcc systems. The 001, 011, and 111 faces are examined during steady-state growth and melting of these crystals. The mechanisms of crystallization and melting are explored using averaged configurations generated during these steady-state runs, where subsequent tagging and labeling of particles at the interface provide many insights into the detailed atomic behavior at the freezing and melting interfaces. The interfaces are generally found to be rough and we observe the structure of freezing and melting interfaces to be very similar. Large structural fluctuations with solidlike and liquidlike characteristics are apparent in both the freezing and melting interfaces. The behavior at the interface observed under either growth or melting conditions reflects a competition between ordering and disordering processes. In addition, we observe atom hopping that imparts liquidlike characteristics to the solid side of the interfaces for all three crystal faces. Solid order is observed to extend as rough, three-dimensional protuberances through the interface, particularly for the 001 and 011 faces. We are also able to reconcile our different measures for the interfacial width and address the onset of asymmetry in the growth rates at high rates of crystal growth/melting.

Anisotropic Strain Relaxation of Graphene by Corrugation on Copper Crystal Surfaces.

PubMed

Deng, Bing; Wu, Juanxia; Zhang, Shishu; Qi, Yue; Zheng, Liming; Yang, Hao; Tang, Jilin; Tong, Lianming; Zhang, Jin; Liu, Zhongfan; Peng, Hailin

2018-05-01

Corrugation is a ubiquitous phenomenon for graphene grown on metal substrates by chemical vapor deposition, which greatly affects the electrical, mechanical, and chemical properties. Recent years have witnessed great progress in controlled growth of large graphene single crystals; however, the issue of surface roughness is far from being addressed. Here, the corrugation at the interface of copper (Cu) and graphene, including Cu step bunches (CuSB) and graphene wrinkles, are investigated and ascribed to the anisotropic strain relaxation. It is found that the corrugation is strongly dependent on Cu crystallographic orientations, specifically, the packed density and anisotropic atomic configuration. Dense Cu step bunches are prone to form on loose packed faces due to the instability of surface dynamics. On an anisotropic Cu crystal surface, Cu step bunches and graphene wrinkles are formed in two perpendicular directions to release the anisotropic interfacial stress, as revealed by morphology imaging and vibrational analysis. Cu(111) is a suitable crystal face for growth of ultraflat graphene with roughness as low as 0.20 nm. It is believed the findings will contribute to clarifying the interplay between graphene and Cu crystal faces, and reducing surface roughness of graphene by engineering the crystallographic orientation of Cu substrates. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Critical factors to achieve low voltage- and capacitance-based organic field-effect transistors.

PubMed

Jang, Mi; Park, Ji Hoon; Im, Seongil; Kim, Se Hyun; Yang, Hoichang

2014-01-15

Hydrophobic organo-compatible but low-capacitance dielectrics (10.5 nFcm(-2) ), polystyrene-grafted SiO2 could induce surface-mediated large crystal grains of face-to-face stacked triethylsilylethynyl anthradithiophene (TES-ADT), producing more efficient charge-carrier transport, in comparison to μm-sized pentacene crystals containing a face-to-edge packing. Low-voltage operating TES-ADT OFETs showed good device performance (μFET ≈ 1.3 cm(2) V(-1) s(-1) , Vth ≈ 0.5 V, SS ≈ 0.2 V), as well as excellent device reliability. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Aberrated surface soliton formation in a nonlinear 1D and 2D photonic crystal

PubMed Central

Lysak, Tatiana M.; Trykin, Evgenii M.

2018-01-01

We discuss a novel type of surface soliton—aberrated surface soliton—appearance in a nonlinear one dimensional photonic crystal and a possibility of this surface soliton formation in two dimensional photonic crystal. An aberrated surface soliton possesses a nonlinear distribution of the wavefront. We show that, in one dimensional photonic crystal, the surface soliton is formed at the photonic crystal boundary with the ambient medium. Essentially, that it occupies several layers at the photonic crystal boundary and penetrates into the ambient medium at a distance also equal to several layers, so that one can infer about light energy localization at the lateral surface of the photonic crystal. In the one dimensional case, the surface soliton is formed from an earlier formed soliton that falls along the photonic crystal layers at an angle which differs slightly from the normal to the photonic crystal face. In the two dimensional case, the soliton can appear if an incident Gaussian beam falls on the photonic crystal face. The influence of laser radiation parameters, optical properties of photonic crystal layers and ambient medium on the one dimensional surface soliton formation is investigated. We also discuss the influence of two dimensional photonic crystal configuration on light energy localization near the photonic crystal surface. It is important that aberrated surface solitons can be created at relatively low laser pulse intensity and for close values of alternating layers dielectric permittivity which allows their experimental observation. PMID:29558497

Growth of 4-(dimethylamino) benzaldehyde doped triglycine sulphate single crystals and its characterization

NASA Astrophysics Data System (ADS)

Rai, Chitharanjan; Sreenivas, K.; Dharmaprakash, S. M.

2009-11-01

Single crystals of triglycine sulphate (TGS) doped with 1 mol% of 4-(dimethylamino) benzaldehyde (DB) have been grown from aqueous solution at ambient temperature by slow evaporation technique. The effect of dopant on the crystal growth and dielectric, pyroelectric and mechanical properties of TGS crystal have been investigated. X-ray powder diffraction pattern for pure and doped TGS was collected to determine the lattice parameters. FTIR spectra were employed to confirm the presence of 4-(dimethylamino) benzaldehyde in TGS crystal, qualitatively. The dielectric permittivity has been studied as a function of temperature by cooling the sample at a rate of 1 °C/min. An increase in the Curie temperature Tc=51 °C (for pure TGS, Tc=48.5 °C) and decrease in maximum permittivity has been observed for doped TGS when compared to pure TGS crystal. Pyroelectric studies on doped TGS were carried out to determine pyroelectric coefficient. The Vickers's hardness of the doped TGS crystals along (0 1 0) face is higher than that of pure TGS crystal for the same face. Domain patterns on b-cut plates were observed using scanning electron microscope. The low dielectric constant, higher pyroelectric coefficient and higher value of hardness suggest that doped TGS crystals could be a potential material for IR detectors.

Measurements of Protein Crystal Face Growth Rates

NASA Technical Reports Server (NTRS)

Gorti, S.

2014-01-01

Protein crystal growth rates will be determined for several hyperthermophile proteins.; The growth rates will be assessed using available theoretical models, including kinetic roughening.; If/when kinetic roughening supersaturations are established, determinations of protein crystal quality over a range of supersaturations will also be assessed.; The results of our ground based effort may well address the existence of a correlation between fundamental growth mechanisms and protein crystal quality.

Energy Minimization of Molecular Features Observed on the (110) Face of Lysozyme Crystals

NASA Technical Reports Server (NTRS)

Perozzo, Mary A.; Konnert, John H.; Li, Huayu; Nadarajah, Arunan; Pusey, Marc

1999-01-01

Molecular dynamics and energy minimization have been carried out using the program XPLOR to check the plausibility of a model lysozyme crystal surface. The molecular features of the (110) face of lysozyme were observed using atomic force microscopy (AFM). A model of the crystal surface was constructed using the PDB file 193L, and was used to simulate an AFM image. Molecule translations, van der Waals radii, and assumed AFM tip shape were adjusted to maximize the correlation coefficient between the experimental and simulated images. The highest degree of 0 correlation (0.92) was obtained with the molecules displaced over 6 A from their positions within the bulk of the crystal. The quality of this starting model, the extent of energy minimization, and the correlation coefficient between the final model and the experimental data will be discussed.

Influence of lysozyme on the precipitation of calcium carbonate: a kinetic and morphologic study

NASA Astrophysics Data System (ADS)

Jimenez-Lopez, Concepcion; Rodriguez-Navarro, Alejandro; Dominguez-Vera, Jose M.; Garcia-Ruiz, Juan M.

2003-05-01

Several mechanisms have been proposed to explain the interactions between proteins and mineral surfaces, among them a combination of electrostatic, stereochemical interactions and molecular recognition between the protein and the crystal surface. To identify the mechanisms of interaction in the lysozyme-calcium carbonate model system, the effect of this protein on the precipitation kinetics and morphology of calcite crystals was examined. The solution chemistry and morphology of the solid were monitored over time in a set of time-series free-drift experiments in which CaCO 3 was precipitated from solution in a closed system at 25°C and 1 atm total pressure, in the presence and absence of lysozyme. The precipitation of calcite was preceded by the precipitation of a metastable phase that later dissolved and gave rise to calcite as the sole phase. With increasing lysozyme concentration, the nucleation of both the metastable phase and calcite occurred at lower Ω calcite, indicating that lysozyme favored the nucleation of both phases. Calcite growth rate was not affected by the presence of lysozyme, at least at protein concentrations ranging from 0 mg/mL to 10 mg/mL. Lysozyme modified the habit of calcite crystals. The degree of habit modification changed with protein concentration. At lower concentrations of lysozyme, the typical rhombohedral habit of calcite crystals was modified by the expression of {110} faces, which resulted from the preferential adsorption of protein on these faces. With increasing lysozyme concentration, the growth of {110}, {100}, and finally {001} faces was sequentially inhibited. This adsorption sequence may be explained by an electrostatic interaction between lysozyme and calcite, in which the inhibition of the growth of {110}, {100}, and {001} faces could be explained by a combined effect of the density of carbonate groups in the calcite face and the specific orientation (perpendicular) of these carbonate groups with respect to the calcite surface. Overgrowth of calcite in the presence of lysozyme demonstrated that the protein favored and controlled the nucleation on the calcite substrate. Overgrowth crystals nucleated epitaxially in lines which run diagonal to rhombohedral {104} faces.

Spontaneous Water Oxidation at Hematite (α-Fe2O3) Crystal Faces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chatman, Shawn ME; Zarzycki, Piotr P.; Rosso, Kevin M.

2015-01-28

Hematite (α-Fe2O3) persists as a promising candidate for photoelectrochemical water splitting but a slow oxygen evolution reaction (OER) at its surfaces remains a limitation. Here we extend a series of studies that examine pH-dependent surface potentials and electron transfer properties of effectively perfect low-index crystal faces of hematite in contact with simple electrolyte. Zero resistance amperometry was performed in a two electrode configuration to quantify spontaneous dark current between hematite crystal face pairs (001)/(012), (001)/(113), and (012)/(113) at pH 3. Exponentially decaying currents initially of up to 200 nA were reported between faces over four minute experiments. Fourth order ZRAmore » kinetics indicated rate limitation by the OER for current that flows between (001)/(012) and (001)/(113) face pairs, with the (012) and (113) faces serving as the anodes when paired with (001). The cathodic partner reaction is reductive dissolution of the (001) face, converting surface Fe3+ to solubilized aqueous Fe2+, at a rate maintained by the OER at the anode. In contrast, OER rate limitation does not manifest for the (012)/(113) pair. The uniqueness of the (001) face is established in terms of a faster intrinsic ability to accept the protons required for the reductive dissolution reaction. OER rate limitation inversely may thus arise from sluggish kinetics of hematite surfaces to dispense with the protons that accompany the four-electron OER. The results are explained in terms of semi-quantitative energy band diagrams. The finding may be useful as a consideration for tailoring the design of polycrystalline hematite photoanodes that present multiple terminations to the interface with electrolyte.« less

Direct observation of crystal growth from solution using optical investigation of a growing crystal face

NASA Technical Reports Server (NTRS)

Lal, Ravindra

1994-01-01

The first technical report for the period 1 Jan. 1993 till 31 Dec. 1993 for the research entitled, 'Direct observation of crystal growth from solution using Optical Investigation of a growing crystal Face' is presented. The work on the project did not start till 1 June 1993 due to the non-availability of the required personnel. The progress of the work during the period 1 June 1993 till the end of 1993 is described. Significant progress was made for testing various optical diagnostic techniques for monitoring crystal solution. Some of the techniques that are being tested are: heterodyne detection technique, in which changes in phase are measured as a interferometric function of time/crystal growth; a conventional technique, in which a fringe brightness is measured as a function of crystal growth/time; and a Mach-Zehnder interferometric technique in which a fringe brightness is measured as a function of time to obtain information on concentration changes. During the second year it will be decided to incorporate the best interferometric technique along with the ellipsometric technique, to obtain real time in-situ growth rate measurements. A laboratory mock-up of the first two techniques were made and tested.

Crystal fibers for high power lasers

NASA Astrophysics Data System (ADS)

Kim, W.; Florea, C.; Gibson, D.; Peele, J.; Askins, C.; Shaw, B.; Bowman, S.; O'Connor, S.; Bayya, S.; Aggarwal, I.; Sanghera, J. S.

2013-02-01

In this paper, we present our recent progress in developing single crystal fibers for high power single frequency fiber lasers. The optical, spectral and morphological properties as well as the loss and gain measured from these crystal fibers drawn by Laser Heated Pedestal Growth (LHPG) system are also discussed. Results on application of various cladding materials on the crystal core and the methods of fiber end-face polishing are also presented.

High resolution electron microscopy study of crystal growth mechanisms in chicken bone composites

NASA Astrophysics Data System (ADS)

Cuisinier, F. J. G.; Steuer, P.; Brisson, A.; Voegel, J. C.

1995-12-01

The present study describes the early stages of chicken bone crystal growth, followed by high resolution electron microscopy (HREM). We have developed an original analysis procedure to determine the crystal structure. Images were first digitalized and selected areas were fast Fourier transformed. Numerical masks were selected around the most intense spots and the filtered signal was retransformed back to real space. The filtered images were then compared to computer calculated images to identify the inorganic mineral phase. Nanometer-sized particles were observed on amorphous areas. These particles have a structure loosely related to hydroxyapatite (HA) and a specific orientation. In a more advanced situation, the nanoparticles appeared to grow in two dimensions and to form plate-like crystals. These crystals seem, in a last growth step, to fuse by their (100) faces. These experimental observations allowed us to propose a four-step model for the development and growth of chicken bone crystals. The two initial stages are the ionic adsorption onto the organic substrate followed by the nucleation of nanometer-sized particles. The two following steps, i.e. two-dimensional growth of the nanoparticles leading to the formation of needle-like crystals, and the lateral fusion of these crystals by their (100) faces, are controlled only by spatial constraints inside the extracellular organic matrix.

Precision Crystal Calorimeters in High Energy Physics

ScienceCinema

Ren-Yuan Zhu

2017-12-09

Precision crystal calorimeters traditionally play an important role in high energy physics experiments. In the last two decades, it faces a challenge to maintain its precision in a hostile radiation environment. This paper reviews the performance of crystal calorimeters constructed for high energy physics experiments and the progress achieved in understanding crystal’s radiation damage as well as in developing high quality scintillating crystals for particle physics. Potential applications of new generation scintillating crystals of high density and high light yield, such as LSO and LYSO, in particle physics experiments is also discussed.

Effect of carboxymethylcellulose on potassium bitartrate crystallization on model solution and white wine

NASA Astrophysics Data System (ADS)

Bajul, Audrey; Gerbaud, Vincent; Teychene, Sébastien; Devatine, Audrey; Bajul, Gilles

2017-08-01

Instability in bottled wines refer to tartaric salts crystallization such as potassium bitartrate (KHT). It is not desirable as consumers see the settled salts as an evidence of a poor quality control. In some cases, it causes excessive gushing in sparkling wine. We investigate the effect of two oenological carboxymethylcellulose (CMC) for KHT inhibition in a model solution of white wine by studying the impact of some properties of CMC such as the degree of polymerization, the degree of substitution, and the apparent dissociation constant determined by potentiometric titration. Polyelectrolyte adsorption is used for determining the surface and total charge and for providing information about the availability of CMC charged groups for interacting with KHT crystal faces. The inhibitory efficiency of CMC on model solution is evaluated by measuring the induction time with the help of conductimetric methods. Crystals growth with and without CMC are studied by observation with MEB and by thermal analysis using DSC. The results confirm the effectiveness of CMC as an inhibitor of KHT crystallization in a model solution. The main hypothesis of the mechanism lies in the interaction of dissociated anionic carboxymethyl groups along the cellulose backbone with positively charged layers on KHT faces like the {0 1 0} face. Key factors such as pH, CMC chain length and total charge are discusses.

Monoclinic Tungsten Oxide with {100} Facet Orientation and Tuned Electronic Band Structure for Enhanced Photocatalytic Oxidations.

PubMed

Zhang, Ning; Chen, Chen; Mei, Zongwei; Liu, Xiaohe; Qu, Xiaolei; Li, Yunxiang; Li, Siqi; Qi, Weihong; Zhang, Yuanjian; Ye, Jinhua; Roy, Vellaisamy A L; Ma, Renzhi

2016-04-27

Exploring surface-exposed highly active crystal facets for photocatalytic oxidations is promising in utilizing monoclinic WO3 semiconductor. However, the previously reported highly active facets for monoclinic WO3 were mainly toward enhancing photocatalytic reductions. Here we report that the WO3 with {100} facet orientation and tuned surface electronic band structure can effectively enhance photocatalytic oxidation properties. The {100} faceted WO3 single crystals are synthesized via a facile hydrothermal method. The UV-visible diffuse reflectance, X-ray photoelectron spectroscopy valence band spectra, and photoelectrochemical measurements suggest that the {100} faceted WO3 has a much higher energy level of valence band maximum compared with the normal WO3 crystals without preferred orientation of the crystal face. The density functional theory calculations reveal that the shift of O 2p and W 5d states in {100} face induce a unique band structure. In comparison with the normal WO3, the {100} faceted WO3 exhibits an O2 evolution rate about 5.1 times in water splitting, and also shows an acetone evolution rate of 4.2 times as well as CO2 evolution rate of 3.8 times in gaseous degradation of 2-propanol. This study demonstrates an efficient crystal face engineering route to tune the surface electronic band structure for enhanced photocatalytic oxidations.

Growth and dislocation studies of β-HMX.

PubMed

Gallagher, Hugh G; Sherwood, John N; Vrcelj, Ranko M

2014-01-01

The defect structure of organic materials is important as it plays a major role in their crystal growth properties. It also can play a subcritical role in "hot-spot" detonation processes of energetics and one such energetic is cyclotetramethylene-tetranitramine, in the commonly used beta form (β-HMX). The as-grown crystals grown by evaporation from acetone show prismatic, tabular and columnar habits, all with {011}, {110}, (010) and (101) faces. Etching on (010) surfaces revealed three different types of etch pits, two of which could be identified with either pure screw or pure edge dislocations, the third is shown to be an artifact of the twinning process that this material undergoes. Examination of the {011} and {110} surfaces show only one type of etch pit on each surface; however their natural asymmetry precludes the easy identification of their Burgers vector or dislocation type. Etching of cleaved {011} surfaces demonstrates that the etch pits can be associated with line dislocations. All dislocations appear randomly on the crystal surfaces and do not form alignments characteristic of mechanical deformation by dislocation slip. Crystals of β-HMX grown from acetone show good morphological agreement with that predicted by modelling, with three distinct crystal habits observed depending upon the supersaturation of the growth solution. Prismatic habit was favoured at low supersaturation, while tabular and columnar crystals were predominant at higher super saturations. The twin plane in β-HMX was identified as a (101) reflection plane. The low plasticity of β-HMX is shown by the lack of etch pit alignments corresponding to mechanically induced dislocation arrays. On untwinned {010} faces, two types of dislocations exist, pure edge dislocations with b = [010] and pure screw dislocations with b = [010]. On twinned (010) faces, a third dislocation type exists and it is proposed that these pits are associated with pure screw dislocations with b = [010]. Graphical abstractEtch pits on the twinned (010) face of β-HMX.

Instrument and method for focusing X-rays, gamma rays and neutrons

DOEpatents

Smither, Robert K.

1984-01-01

A crystal diffraction instrument or diffraction grating instrument with an improved crystalline structure or grating spacing structure having a face for receiving a beam of photons or neutrons and diffraction planar spacing or grating spacing along that face with the spacing increasing progressively along the face to provide a decreasing Bragg diffraction angle for a monochromatic radiation and thereby increasing the usable area and acceptance angle. The increased planar spacing for the diffraction crystal is provided by the use of a temperature differential across the crystalline structure, by assembling a plurality of crystalline structures with different compositions, by an individual crystalline structure with a varying composition and thereby a changing planar spacing along its face, and by combinations of these techniques. The increased diffraction grating element spacing is generated during the fabrication of the diffraction grating by controlling the cutting tool that is cutting the grooves or controlling the laser beam, electron beam or ion beam that is exposing the resist layer, etc. It is also possible to vary this variation in grating spacing by applying a thermal gradient to the diffraction grating in much the same manner as is done in the crystal diffraction case.

Instrument and method for focusing x rays, gamma rays, and neutrons

DOEpatents

Smither, R.K.

1982-03-25

A crystal-diffraction instrument or diffraction-grating instrument is described with an improved crystalline structure or grating spacing structure having a face for receiving a beam of photons or neutrons and diffraction planar spacing or grating spacing along that face with the spacing increasing progressively along the face to provide a decreasing Bragg diffraction angle for a monochromatic radiation and thereby increasing the usable area and acceptance angle. The increased planar spacing for the diffraction crystal is provided by the use of a temperature differential across the line structures with different compositions, by an individual crystalline structure with a varying composition and thereby a changing planar spacing along its face, and by combinations of these techniques. The increased diffraction grating element spacing is generated during the fabrication of the diffraction grating by controlling the cutting tool that is cutting the grooves or controlling the laser beam, electron beam, or ion beam that is exposing the resist layer, etc. It is also possible to vary this variation in grating spacing by applying a thermal gradient to the diffraction grating in much the same manner as is done in the crystal-diffraction case.

The Feasibility of Bulk Crystallization as an Industrial Purification and Production Technique for Proteins

NASA Technical Reports Server (NTRS)

Judge, Russell A.; Forsythe, Elizabeth L.; Johns, Michael R.; Pusey, Marc L.; White, Edward T.

1998-01-01

Bulk crystallization in stirred vessels is used industrially for the recovery and purification of many inorganic and organic materials. Although much has been written on the crystallization of proteins for X-ray diffraction analysis, very little has been reported on the application of bulk crystallization in stirred vessels. In this study, a 1-liter, seeded, stirred, batch crystallizer was used with ovalbumin as a model protein to test the feasibility of this crystallization method as a recovery and purification process for proteins. Results were obtained for ovalbumin solubility, nucleation thresholds, crystal breakage and crystal growth kinetics in bulk solution under a range of operating conditions of pH and ammonium sulphate concentration (Judge et al., 1996). Experiments were also performed to determine the degree of purification that can be achieved by the crystallization of ovalbumin from a mixture of proteins. The effect of the presence of these proteins upon the ovalbumin crystal growth kinetics was also investigated (Judge et al., 1995). All of these aspects are essential for the design of bulk crystallization processes which have not previously been reported for proteins. Results from a second study that investigated the effect of structurally different proteins on the solubility, crystal growth rates and crystal purity of chicken egg white lysozyme are also presented (Judge et al., 1997). In this case face growth rates were measured using lysozyme purified by liquid chromatography and the effect of the addition of specific protein impurities were observed on the (110) and (101) crystal faces. In these two studies the results are presented to show the feasibility and purifying ability of crystallization as a production process for proteins.

Spatially resolved observation of crystal-face-dependent catalysis by single turnover counting

NASA Astrophysics Data System (ADS)

Roeffaers, Maarten B. J.; Sels, Bert F.; Uji-I, Hiroshi; de Schryver, Frans C.; Jacobs, Pierre A.; de Vos, Dirk E.; Hofkens, Johan

2006-02-01

Catalytic processes on surfaces have long been studied by probing model reactions on single-crystal metal surfaces under high vacuum conditions. Yet the vast majority of industrial heterogeneous catalysis occurs at ambient or elevated pressures using complex materials with crystal faces, edges and defects differing in their catalytic activity. Clearly, if new or improved catalysts are to be rationally designed, we require quantitative correlations between surface features and catalytic activity-ideally obtained under realistic reaction conditions. Transmission electron microscopy and scanning tunnelling microscopy have allowed in situ characterization of catalyst surfaces with atomic resolution, but are limited by the need for low-pressure conditions and conductive surfaces, respectively. Sum frequency generation spectroscopy can identify vibrations of adsorbed reactants and products in both gaseous and condensed phases, but so far lacks sensitivity down to the single molecule level. Here we adapt real-time monitoring of the chemical transformation of individual organic molecules by fluorescence microscopy to monitor reactions catalysed by crystals of a layered double hydroxide immersed in reagent solution. By using a wide field microscope, we are able to map the spatial distribution of catalytic activity over the entire crystal by counting single turnover events. We find that ester hydrolysis proceeds on the lateral {1010} crystal faces, while transesterification occurs on the entire outer crystal surface. Because the method operates at ambient temperature and pressure and in a condensed phase, it can be applied to the growing number of liquid-phase industrial organic transformations to localize catalytic activity on and in inorganic solids. An exciting opportunity is the use of probe molecules with different size and functionality, which should provide insight into shape-selective or structure-sensitive catalysis and thus help with the rational design of new or more productive heterogeneous catalysts.

Chromatographic study of formation conditions of rhombododecahedral diamond crystals

NASA Astrophysics Data System (ADS)

Zhimulev, E. I.; Sonin, V. M.; Chepurov, A. I.; Tomilenko, A. A.

2009-06-01

The results of chromatographic study of the formation of rhombododecahedral diamonds synthesized in the Fe-Ni-(Ti)-C system at 5.5-6.0 GPa and 1350-1450°C are presented, including crystals with rounded surfaces of the rhombododecahedron with parallel striation, which are morphological analogues of natural diamonds abundant at various kimberlite, lamproite, and placer deposits. Chromatography was performed at 150°C with mechanical breakup of diamonds. The stable release of methane when diamonds of habit {110} are crushed is established. It is concluded that the appearance of the habit rhombododecahedron may be related not only to the effect of temperature and pressure on crystal growth but also to reductive conditions of crystallization. At the same time, the appearance of significant amounts of hydrocarbons in the system probably results in stopping of the growth of faces {110} and {100} and, instead, formation of specific surfaces that are composed of microscopic accessories faced by planes {111}.

How the Molecular Packing Affects the Room Temperature Phosphorescence in Pure Organic Compounds: Ingenious Molecular Design, Detailed Crystal Analysis, and Rational Theoretical Calculations.

PubMed

Xie, Yujun; Ge, Yuwei; Peng, Qian; Li, Conggang; Li, Qianqian; Li, Zhen

2017-05-01

Long-lived phosphorescence at room temperature (RTP) from pure organic molecules is rare. Recent research reveals various crystalline organic molecules can realize RTP with lifetimes extending to the magnitude of second. There is little research on how molecular packing affecting RTP. Three compounds are designed with similar optical properties in solution, but tremendously different solid emission characteristics. By investigating the molecular packing arrangement in single crystals, it is found that the packing style of the compact face to face favors of long phosphorescence lifetime and high photoluminescence efficiency, with the lifetime up to 748 ms observed in the crystal of CPM ((9H-carbazol-9-yl)(phenyl)methanone). Theoretical calculation analysis also reveals this kind of packing style can remarkably reduce the singlet excited energy level and prompt electron communication between dimers. Surprisingly, CPM has two very similar single crystals, labeled as CPM and CPM-A, with almost identical crystal data, and the only difference is that molecules in CPM-A crystal take a little looser packing arrangement. X-ray diffraction and cross-polarization under magic spinning 13 C NMR spectra double confirm that they are different crystals. Interestingly, CPM-A crystal shows negligible RTP compared to the CPM crystal, once again proving that the packing style is critical to the RTP property. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Symmetrical polyhedra (simple crystal forms) as orbits of noncrystallographic point symmetry groups

NASA Astrophysics Data System (ADS)

Ovsetsina, T. I.; Chuprunov, E. V.

2017-09-01

Simple crystal forms are analyzed as the orbits of noncrystallographic point symmetry groups on a set of smooth or structured ("hatched") planes of crystal space. Polyhedra with symmetrically equivalent faces, obtained using noncrystallographic point symmetry groups, are considered. All possible versions of simple forms for all noncrystallographic groups are listed in a unified table.

An Excel Spreadsheet for a One-Dimensional Fourier Map in X-ray Crystallography

ERIC Educational Resources Information Center

Clegg, William

2004-01-01

The teaching of crystal structure determination with single-crystal X-ray diffraction at undergraduate level faces numerous challenges. Single-crystal X-ray diffraction is used in a vast range of chemical research projects and forms the basis for a high proportion of structural results that are presented to high-school, undergraduate, and graduate…

Optical diagnostics of mercuric iodide crystal growth

NASA Astrophysics Data System (ADS)

Burger, A.; Morgan, S. H.; Silberman, E.; Nason, D.

Two optical methods were recently developed for in situ monitoring of the growth process of mercuric iodide crystals. The first method uses resonance fluorescence spectroscopy (RFS) for the determination of iodine vapor present in the growth ampule, which is an important parameter in determining the stoichiometry, and therefore the quality of the crystals. The second method, Reflectance Spectroscopy Thermometry (RST) measures the crystal face temperature with a percent accuracy of plus or minus 1.5 C.

Optical diagnostics of mercuric iodide crystal growth

NASA Astrophysics Data System (ADS)

Burger, Arnold; Morgan, Steven H.; Silberman, Enrique; Nason, Donald

1991-12-01

Two optical methods were recently developed for in situ monitoring of the growth process of mercuric iodide crystals. The first method uses resonance fluorescence spectroscopy (RFS) for the determination of iodine vapor present in the growth ampule, which is an important parameter in determining the stoichiometry, and therefore the quality of the crystals. The second method, reflectance spectroscopy thermometry (RST) measures the crystal face temperature with a present accuracy of +/- 1.5 degree(s)C.

Synthesis and temperature dependent Raman studies of large crystalline faces topological GeBi4Te7 single crystal

NASA Astrophysics Data System (ADS)

Mal, Priyanath; Bera, G.; Turpu, G. R.; Srivastava, Sunil K.; Das, Pradip

2018-05-01

We present a study of structural and vibrational properties of topological insulator GeBi4Te7. Modified Bridgeman technique is employed to synthesize the single crystal with relatively large crystalline faces. Sharp (0 0 l) reflection confirms the high crystallinity of the single crystal. We have performed temperature dependent Raman measurement for both parallel and perpendicular to crystallographic c axis geometry. In parallel configuration we have observed seven Raman modes whereas in perpendicular geometry only four of these are identified. Appearance and disappearance of Raman modes having different intensities for parallel and perpendicular to c measurement attribute to the mode polarization. Progressive blue shift is observed with lowering temperature, reflects the increase in internal stress.

KDP crystal doped with L-arginine amino acid: growth, structure perfection, optical and strength characteristics

NASA Astrophysics Data System (ADS)

Pritula, I. M.; Kostenyukova, E. I.; Bezkrovnaya, O. N.; Kolybaeva, M. I.; Sofronov, D. S.; Dolzhenkova, E. F.; Kanaev, A.; Tsurikov, V.

2016-07-01

Potassium Dihydrogen Phosphate (KDP) crystal doped with L-arginine (L-arg) amino acid with 1.4 wt% concentration in the solution was grown onto a point seed by the method of temperature reduction. For the first time an attempt was made to grow large-size (7 × 6 × 8 cm3) optically transparent crystals, which allowed to analyze the effect of L-arg additive on the physical properties of the different growth sectors ({100} and {101}) of KDP. The incorporation of L-arg into both growth sectors of the crystal was confirmed by the methods of optical and IR spectroscopy and found to be caused by the ability of the amino acid to form hydrogen bonds with the face {100} and electrostatically interact with the positively charged face {101} of KDP crystal. A slight variation in the unit cell parameters was reported, the elementary cell volume of KDP:L-arg crystal increased in comparison with the one of pure KDP by 2·10-2 and 2.07·10-2 Å3 in the sectors {100} and {101}, respectively. It was found that the doping of L-arg enhanced the SHG efficiency of KDP and depended on the crystal growth sectors. The SHG efficiency of KDP:L-arg was by a factor 2.53 and 3.95 higher in comparison with those of pure KDP for {101} and {100} growth sector, respectively. The doping was found to lead to softening of both faces by ∼3-10% and ∼14-17% in the sectors {101} and {100}, respectively. Investigation of the influence of L-arg molecules on the bulk laser damage threshold of the crystals showed that the bulk laser damage threshold of the samples of KDP:L-arg crystal was higher than the one of the pure crystal in the sector {101} and lower in the sector {100}. The correlation between microhardness and laser damage threshold were discussed. The study is helpful for further searching, designing and simulation of hybrid NLO materials.

A SiPM-based isotropic-3D PET detector X'tal cube with a three-dimensional array of 1 mm(3) crystals.

PubMed

Yamaya, Taiga; Mitsuhashi, Takayuki; Matsumoto, Takahiro; Inadama, Naoko; Nishikido, Fumihiko; Yoshida, Eiji; Murayama, Hideo; Kawai, Hideyuki; Suga, Mikio; Watanabe, Mitsuo

2011-11-07

We are developing a novel, general purpose isotropic-3D PET detector X'tal cube which has high spatial resolution in all three dimensions. The research challenge for this detector is implementing effective detection of scintillation photons by covering six faces of a segmented crystal block with silicon photomultipliers (SiPMs). In this paper, we developed the second prototype of the X'tal cube for a proof-of-concept. We aimed at realizing an ultimate detector with 1.0 mm(3) cubic crystals, in contrast to our previous development using 3.0 mm(3) cubic crystals. The crystal block was composed of a 16 × 16 × 16 array of lutetium gadolinium oxyorthosilicate (LGSO) crystals 0.993 × 0.993 × 0.993 mm(3) in size. The crystals were optically glued together without inserting any reflector inside and 96 multi-pixel photon counters (MPPCs, S10931-50P, i.e. six faces each with a 4 × 4 array of MPPCs), each having a sensitive area of 3.0 × 3.0 mm(2), were optically coupled to the surfaces of the crystal block. Almost all 4096 crystals were identified through Anger-type calculation due to the finely adjusted reflector sheets inserted between the crystal block and light guides. The reflector sheets, which formed a belt of 0.5 mm width, were placed to cover half of the crystals of the second rows from the edges in order to improve identification performance of the crystals near the edges. Energy resolution of 12.7% was obtained at 511 keV with almost uniform light output for all crystal segments thanks to the effective detection of the scintillation photons.

Rime and graupel: Description and characterization as revealed by low-temperature scanning electron microscopy

USGS Publications Warehouse

Rango, A.; Foster, J.; Josberger, E.G.; Erbe, E.F.; Pooley, C.; Wergin, W.P.

2003-01-01

Snow crystals, which form by vapor deposition, occasionally come in contact with supercooled cloud droplets during their formation and descent. When this occurs, the droplets adhere and freeze to the snow crystals in a process known as accretion. During the early stages of accretion, discrete snow crystals exhibiting frozen cloud droplets are referred to as rime. If this process continues, the snow crystal may become completely engulfed in frozen cloud droplets. The resulting particle is known as graupel. Light microscopic investigations have studied rime and graupel for nearly 100 years. However, the limiting resolution and depth of field associated with the light microscope have prevented detailed descriptions of the microscopic cloud droplets and the three-dimensional topography of the rime and graupel particles. This study uses low-temperature scanning electron microscopy to characterize the frozen precipitates that are commonly known as rime and graupel. Rime, consisting of frozen cloud droplets, is observed on all types of snow crystals including needles, columns, plates, and dendrites. The droplets, which vary in size from 10 to 100 μm, frequently accumulate along one face of a single snow crystal, but are found more randomly distributed on aggregations consisting of two or more snow crystals (snowflakes). The early stages of riming are characterized by the presence of frozen cloud droplets that appear as a layer of flattened hemispheres on the surface of the snow crystal. As this process continues, the cloud droplets appear more sinuous and elongate as they contact and freeze to the rimed crystals. The advanced stages of this process result in graupel, a particle 1 to 3 mm across, composed of hundreds of frozen cloud droplets interspersed with considerable air spaces; the original snow crystal is no longer discernible. This study increases our knowledge about the process and characteristics of riming and suggests that the initial appearance of the flattened hemispheres may result from impact of the leading face of the snow crystal with cloud droplets. The elongated and sinuous configurations of frozen cloud droplets that are encountered on the more advanced stages suggest that aerodynamic forces propel cloud droplets to the trailing face of the descending crystal where they make contact and freeze.

Control of solvent evaporation in hen egg white lysozyme crystallization

NASA Technical Reports Server (NTRS)

Wilson, L. J.; Suddath, F. L.

1992-01-01

An investigation of the role of solvent evaporation in tetragonal lysozyme crystallization was preformed with a device that employs N2(g) to control the evaporation of solvent from a micro-volume crystallization hanging drop. The number of crystals was found to vary with the rate at which the final supersaturation level was achieved. It was found that the more rapid the approach to supersaturation the larger the number of crystals. Accordingly, the crystals reached a smaller terminal size. Elongation of the (110) face parallel to the four-fold axis was observed with the slower evaporation rates.

The application of eigensymmetries of face forms to X-ray diffraction intensities of crystals twinned by `reticular merohedry'

NASA Astrophysics Data System (ADS)

Klapper, H.; Hahn, Th

2012-01-01

Crystallographic face forms {hkl} are interpreted as sets of symmetry-equivalent X-ray reflections. Extending an earlier paper on twinning by merohedry [ [Sigma] = 1, Klapper & Hahn (2010). Acta Cryst. A66, 327-346], the eigensymmetry of these forms is used to derive general relations between the diffraction intensities of overlapping twin-related reflections. The following twins by reticular merohedry are treated: [Sigma] 3 twins of rhombohedral and cubic, [Sigma] 5 twins of tetragonal and [Sigma] 7 twins of hexagonal crystals.

Quantifying solubility enhancement due to particle size reduction and crystal habit modification: case study of acetyl salicylic acid.

PubMed

Hammond, Robert B; Pencheva, Klimentina; Roberts, Kevin J; Auffret, Tony

2007-08-01

The poor solubility of potential drug molecules is a significant problem in the design of pharmaceutical formulations. It is well known, however, that the solubility of crystalline materials is enhanced when the particle size is reduced to submicron levels and this factor can be expected to enhance drug product bioavailability. Direct estimation of solubility enhancement, as calculated via the Gibbs-Thompson relationship, demands reasonably accurate values for the particle/solution interfacial tension and, in particular, its anisotropy with respect to the crystal product's habit and morphology. In this article, an improved, more molecule-centered, approach is presented towards the calculation of solubility enhancement factors in which molecular modeling techniques are applied, and the effects associated with both crystal habit modification and solvent choice are examined. A case study for facetted, acetyl salicylic acid (aspirin) crystals in equilibrium with saturated aqueous ethanol solution reveals that their solubility will be enhanced in the range (7-58%) for a crystal size of 0.02 microm, with significantly higher enhancement for crystal morphologies in which the hydrophobic crystal faces are more predominant than the hydrophilic faces and for solvents in which the solubility is smaller. (c) 2007 Wiley-Liss, Inc. and the American Pharmacists Association.

A Computer Program for Crystal Drawing.

ERIC Educational Resources Information Center

Dutch, Steven I.

1981-01-01

Described is a computer program which accepts face data, performs all necessary symmetry operations, and produces a drawing of the resulting crystal. The program shortens computing time to make it suitable for online teaching use or for use in small computers. (Author/DC)

Structure and morphology of magnetite anaerobically-produced by a marine magnetotactic bacterium and a dissimilatory iron-reducing bacterium

USGS Publications Warehouse

Sparks, N.H.C.; Mann, S.; Bazylinski, D.A.; Lovley, D.R.; Jannasch, H.W.; Frankel, R.B.

1990-01-01

Intracellular crystals of magnetite synthesized by cells of the magnetotactic vibroid organism, MV-1, and extracellular crystals of magnetite produced by the non-magnetotactic dissimilatory iron-reducing bacterium strain GS-15, were examined using high-resolution transmission electron microscopy, electron diffraction and 57Fe Mo??ssbauer spectroscopy. The magnetotactic bacterium contained a single chain of approximately 10 crystals aligned along the long axis of the cell. The crystals were essentially pure stoichiometric magnetite. When viewed along the crystal long axis the particles had a hexagonal cross-section whereas side-on they appeared as rectangules or truncated rectangles of average dimension, 53 ?? 35 nm. These findings are explained in terms of a three-dimensional morphology comprising a hexagonal prism of {110} faces which are capped and truncated by {111} end faces. Electron diffraction and lattice imaging studies indicated that the particles were structurally well-defined single crystals. In contrast, magnetite particles produced by the strain, GS-15 were irregular in shape and had smaller mean dimensions (14 nm). Single crystals were imaged but these were not of high structural perfection. These results highlight the influence of intracellular control on the crystallochemical specificity of bacterial magnetites. The characterization of these crystals is important in aiding the identification of biogenic magnetic materials in paleomagnetism and in studies of sediment magnetization. ?? 1990.

Impact of impurities on the α-LiIO{sub 3} crystal growth: Technique for measuring the “dead zone”

DOE Office of Scientific and Technical Information (OSTI.GOV)

Noskova, A. N., E-mail: anna-13.08@mail.ru; Rubakha, V. I.; Prokhorov, A. P.

Lithium iodate (α-LiIO{sub 3}) single crystal is a promising nonlinear optical material, which used for efficient laser radiation conversion in the visible and near-IR regions. A technique for measuring the “dead zone” (ΔТ{sub dz}) of LiIO{sub 3} solutions has been developed; data on the impact of Fe(IO{sub 3}){sub 2}, AgIO{sub 3}, CsOH, H{sub 3}PO{sub 4}, and methyl methacrylate on the growth of the (100) face of α-LiIO{sub 3} crystals have been presented; and the dependences of the nucleation and motion of single steps on the degree of supersaturation have been measured. It is shown that the ΔТ{sub dz} value makesmore » it possible to estimate the validity of solutions for growing α-LiIO{sub 3} crystals. The results of measuring the face growth rates and step velocities for KDP and α-LiIO{sub 3} crystals are compared.« less

Tuning calcite morphology and growth acceleration by a rational design of highly stable protein-mimetics

NASA Astrophysics Data System (ADS)

Chen, Chun-Long; Qi, Jiahui; Tao, Jinhui; Zuckermann, Ronald N.; Deyoreo, James J.

2014-09-01

In nature, proteins play a significant role in biomineral formation. One of the ultimate goals of bioinspired materials science is to develop highly stable synthetic molecules that mimic the function of these natural proteins by controlling crystal formation. Here, we demonstrate that both the morphology and the degree of acceleration or inhibition observed during growth of calcite in the presence of peptoids can be rationally tuned by balancing the electrostatic and hydrophobic interactions, with hydrophobic interactions playing the dominant role. While either strong electrostatic or hydrophobic interactions inhibit growth and reduces expression of the {104} faces, correlations between peptoid-crystal binding energies and observed changes in calcite growth indicate moderate electrostatic interactions allow peptoids to weakly adsorb while moderate hydrophobic interactions cause disruption of surface-adsorbed water layers, leading to growth acceleration with retained expression of the {104} faces. This study provides fundamental principles for designing peptoids as crystallization promoters, and offers a straightforward screening method based on macroscopic crystal morphology. Because peptoids are sequence-specific, highly stable, and easily synthesized, peptoid-enhanced crystallization offers a broad range of potential applications.

Mechanism of Cohesion of Monomolecular Water Film with the β-AgI Crystal Surface under Thermal Fluctuations

NASA Astrophysics Data System (ADS)

Shevkunov, S. V.

2018-07-01

The growth of liquid phase nuclei on the surface of some crystals was shown to differ from that described in the classic theory of capillarity. The surface of the base face of a silver iodide crystal is completely covered with a monomolecular water film already in unsaturated vapors, and the wetting conditions of the substrate are determined by the hydrophobic properties of the film surface, but not the crystal surface itself. The mechanism by which the monomolecular film is held on the surface of crystalline silver iodide was studied by the Monte Carlo method at the molecular level. It was found that the adhesion of the film to the surface of the base face of the crystal was by hydrogen bonding with the ions of the second crystallographic layer of the substrate, and the film was thermodynamically stable even in unsaturated water vapor. The film hydrophobicity is due to the deficiency of hydrogen bond donors on its surface. The nanostructural elements on the surface of the aerosol particle can neutralize the hydrophobic properties of the film and thus serve as nucleation centers.

Tuning calcite morphology and growth acceleration by a rational design of highly stable protein-mimetics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Chunlong; Qi, Jiahui; Tao, Jinhui

2014-09-05

In nature, proteins play a significant role in biomineral formation. One of the ultimate goals of bioinspired materials science is to develop highly stable synthetic molecules that mimic the function of these natural proteins by controlling crystal formation. Here, we demonstrate that both the morphology and the degree of acceleration or inhibition observed during growth of calcite in the presence of peptoids can be rationally tuned by balancing the electrostatic interactions (EI) and hydrophobic interactions (HI), with HI playing the dominant role. While either strong EI or HI inhibit growth and suppress (104) face expression, correlations between peptoid-crystal binding energiesmore » and observed changes in calcite growth indicate moderate EI allow peptoids to weakly adsorb while moderate HI cause disruption of surface-adsorbed water layers, leading to growth acceleration with retained expression of (104) faces. This study provides fundamental principles for designing peptoids as crystallization promoters, and offers a straightforward screening method based on macroscopic crystal morphology. Because peptoids are sequence-specific, highly stable, and easily synthesized, peptoid-enhanced crystallization offers a broad range of potential applications.« less

Tuning calcite morphology and growth acceleration by a rational design of highly stable protein-mimetics

PubMed Central

Chen, Chun-Long; Qi, Jiahui; Tao, Jinhui; Zuckermann, Ronald N.; DeYoreo, James J.

2014-01-01

In nature, proteins play a significant role in biomineral formation. One of the ultimate goals of bioinspired materials science is to develop highly stable synthetic molecules that mimic the function of these natural proteins by controlling crystal formation. Here, we demonstrate that both the morphology and the degree of acceleration or inhibition observed during growth of calcite in the presence of peptoids can be rationally tuned by balancing the electrostatic and hydrophobic interactions, with hydrophobic interactions playing the dominant role. While either strong electrostatic or hydrophobic interactions inhibit growth and reduces expression of the {104} faces, correlations between peptoid-crystal binding energies and observed changes in calcite growth indicate moderate electrostatic interactions allow peptoids to weakly adsorb while moderate hydrophobic interactions cause disruption of surface-adsorbed water layers, leading to growth acceleration with retained expression of the {104} faces. This study provides fundamental principles for designing peptoids as crystallization promoters, and offers a straightforward screening method based on macroscopic crystal morphology. Because peptoids are sequence-specific, highly stable, and easily synthesized, peptoid-enhanced crystallization offers a broad range of potential applications. PMID:25189418

The growth rates of KDP crystals in solutions with potassium permanganate additives

NASA Astrophysics Data System (ADS)

Egorova, A. E.; Vorontsov, D. A.; Nezhdanov, A. V.; Noskova, A. N.; Portnov, V. N.

2017-01-01

We have found that growth of the {101} faces of a KDP (KH2PO4) crystal is suppressed, and the growth rate of the {100} faces passes through the maximum with increasing addition of KMnO4 to a solution with pH=4.7. We have concluded that the [MnH2PO4]2+ complex and MnO2 particles affect the growth kinetics. The X-ray and electronic paramagnetic resonance data show that manganese is incorporated into the crystal in the form of Mn3+ and Mn4+. The local excess of a positive charge in the area with incorporated [MnH2PO4]2+ complex can be compensated by the shift of the hydrogen atoms in the KDP structure.

Importance of Trimethylaluminum Diffusion in Three-Step ABC Molecular Layer Deposition Using Trimethylaluminum, Ethanolamine, and Maleic Anhydride

DTIC Science & Technology

2010-01-01

Crystal Microbalance Analysis. A detailed description of the in situQCM experimental setup has been given elsewhere.22,23 The QCM sensors were AT-cut...quartz crystals with a polishedAu face and a 6MHz oscillation frequency. These QCM sensors were obtained from Colorado Crystal Corp (Loveland, CO...larger than typical mass gains for surface reactions. The quartz crystal microbalance ( QCM ) mass profiles during the TMA reaction were consistent with

Face-by-face growth of sucrose crystals from aqueous solutions in the presence of raffinose—II: Growth morphology and segregation

NASA Astrophysics Data System (ADS)

Sgualdino, G.; Aquilano, D.; Pastero, L.; Vaccari, G.

2007-10-01

Raffinose segregation into sucrose crystals is experimentally determined along with the modifications of the quantitative sucrose growth morphology, which are in turn related to the different growth conditions. ( Craff, σ) morphodromes nicely represent the conflict between the supersaturation and the raffinose concentration in the solution on the growth morphology, while the overall segregation rate is nearly proportional to the linear overall crystal growth rate. Chernov and Burton-Prim-Slichter models, checked to fit our keff and ln(keff-1-1) coefficients as a function of the supersaturation and of the mean linear overall growth rate, do not allow to know whether the segregation occurs either by a process dominated by surface integration, or by additive transfer dominated by volume diffusion within the boundary layer. The distribution of segregated raffinose strictly depends on the { h k l} growth sectors and doped crystals contain deformed lattice zones, as it comes out from X-ray powder diagrams.

Aligning precisely polarization maintaining photonic crystal fiber and conventional single-mode fiber by online spectrum monitoring

NASA Astrophysics Data System (ADS)

Jiang, Ying; Zeng, Jie; Liang, Dakai; Ni, Xiaoyu; Luo, Wenyong

2013-06-01

The fibers aligning is very important in fusion splicing process. The core of polarization maintaining photonic crystal fiber(PM-PCF) can not be seen in the splicer due to microhole structure of its cross-section. So it is difficult to align precisely PM-PCF and conventional single-mode fiber(SMF).We demonstrate a novel method for aligning precisely PM-PCF and conventional SMF by online spectrum monitoring. Firstly, the light source of halogen lamp is connected to one end face of conventional SMF.Then align roughly one end face of PM-PCF and the other end face of conventional SMF by observing visible light in the other end face of PM-PCF. If there exists visible light, they are believed to align roughly. The other end face of PM-PCF and one end face of the other conventional SMF are aligned precisely in the other splicer by online spectrum monitoring. Now the light source of halogen lamp is changed into a broadband light source with 52nm wavelength range.The other end face of the other conventional SMF is connected to an optical spectrum analyzer.They are translationally and rotationally adjusted in the splicer by monitoring spectrum. When the transmission spectrum power is maximum, the aligning is precise.

Crystal face temperature determination means

DOEpatents

Nason, D.O.; Burger, A.

1994-11-22

An optically transparent furnace having a detection apparatus with a pedestal enclosed in an evacuated ampule for growing a crystal thereon is disclosed. Temperature differential is provided by a source heater, a base heater and a cold finger such that material migrates from a polycrystalline source material to grow the crystal. A quartz halogen lamp projects a collimated beam onto the crystal and a reflected beam is analyzed by a double monochromator and photomultiplier detection spectrometer and the detected peak position in the reflected energy spectrum of the reflected beam is interpreted to determine surface temperature of the crystal. 3 figs.

Surface Relaxation in Protein Crystals

NASA Technical Reports Server (NTRS)

Boutet, S.; Robinson, I. K.; Hu, Z. W.; Thomas, B. R.; Chernov, A. A.

2002-01-01

Surface X-ray diffraction measurements were performed on (111) growth faces of crystals of the Cellular iron-storage protein horse spleen ferritin. Crystal Trunkation Rods (CTR) were measured. A fit of the measured profile of the CTR revealed a surface roughness of 48 +/- 4.5 A and a top layer spacing contraction of 3.9 +/- 1.5%. In addition to the peak from the CTR, the rocking curves of the crystals displayed unexpected extra peaks. Multiple-scattering is demonstrated to account for them. Future applications of the method could allow the exploration of hydration effects on the growth of protein crystals.

Temperature distribution of laser crystal in end-pumped DPSSL

NASA Astrophysics Data System (ADS)

Zheng, Yibo; Jia, Liping; Zhang, Lei; Wen, Jihua; Kang, Junjian

2009-11-01

The temperature distribution in different cooling system was studied. A thermal distribution model of laser crystal was established. Based on the calculation, the temperature distribution and deformation of ND:YVO4 crystal in different cooling system were obtained. When the pumping power is 2 W and the radius of pumping beams is 320μm, the temperature distribution and end face distortion of the laser crystal are lowest by using side directly hydrocooling method. The study shows that, the side directly hydrocooling method is a more efficient method to control the crystal temperature distribution and reduce the thermal effect.

Automated macromolecular crystal detection system and method

DOEpatents

Christian, Allen T [Tracy, CA; Segelke, Brent [San Ramon, CA; Rupp, Bernard [Livermore, CA; Toppani, Dominique [Fontainebleau, FR

2007-06-05

An automated macromolecular method and system for detecting crystals in two-dimensional images, such as light microscopy images obtained from an array of crystallization screens. Edges are detected from the images by identifying local maxima of a phase congruency-based function associated with each image. The detected edges are segmented into discrete line segments, which are subsequently geometrically evaluated with respect to each other to identify any crystal-like qualities such as, for example, parallel lines, facing each other, similarity in length, and relative proximity. And from the evaluation a determination is made as to whether crystals are present in each image.

Growth and defects of explosives crystals

NASA Astrophysics Data System (ADS)

Cady, H. H.

Large single crystals of PETN, RDX, and TNT can be grown easily from evaporating ethyl acetate solutions. The crystals all share a similar type of defect that may not be commonly recognized. The defect generates conical faces, ideally mosaic crystals, and may account for the 'polymorphs' of TNT and detonator grades of PETN. TATB crystals manufactured by the amination of trichlorotrinitrobenzene in dry toluene entrain two forms of ammonium chloride. One of these forms causes 'worm holes' in the TATB crystals that may be the reason for its unusually low failure diameters. Strained HMX crystals form mechanical twins that can spontaneously revert back to the untwinned form when the straining force is removed. Large strains or temperatures above 100 C lock in the mechanical twins.

Electro-optical tunable birefringent filter

DOEpatents

Levinton, Fred M [Princeton, NJ

2012-01-31

An electrically tunable Lyot type filter is a Lyot that include one or more filter elements. Each filter element may have a planar, solid crystal comprised of a material that exhibits birefringence and is electro-optically active. Transparent electrodes may be coated on each face of the crystal. An input linear light polarizer may be located on one side of the crystal and oriented at 45 degrees to the optical axis of the birefringent crystal. An output linear light polarizer may be located on the other side of the crystal and oriented at -45 degrees with respect to the optical axis of the birefringent crystal. When an electric voltage is applied between the electrodes, the retardation of the crystal changes and so does the spectral transmission of the optical filter.

Crystalline structures, thermal properties and crystallizing mechanism of polyamide 6 nanotubes in confined space

NASA Astrophysics Data System (ADS)

Li, Xiaoru; Peng, Zhi; Yang, Chao; Han, Ping; Song, Guojun; Cong, Longliang

2016-09-01

The polyamide 6 (PA6) nanotubes were prepared by infiltrating the anodic aluminum oxide templates with polymer solution. Crystalline regions in the nanotube walls were detected by high-resolution transmission electron microscopy (HRTEM). X-ray diffraction (XRD), Fast Fourier Transform (FFT) and differential scanning calorimetry (DSC) techniques were employed to investigate crystallization, crystal faces and thermodynamics. It was found that the crystals were transformed from α-form in bulk to γ-form in nanotubes. It was made a detailed analysis in this article. Moreover, schematic diagram for the crystallizing mechanism of PA6 nanotubes was given to explain PA6 molecules how to crystallize in the nano-pores.

Role of Solvents in Improvement of Dissolution Rate of Drugs: Crystal Habit and Crystal Agglomeration

PubMed Central

Maghsoodi, Maryam

2015-01-01

Crystallization is often used for manufacturing drug substances. Advances of crystallization have achieved control over drug identity and purity, but control over the physical form remains poor. This review discusses the influence of solvents used in crystallization process on crystal habit and agglomeration of crystals with potential implication for dissolution. According to literature it has been known that habit modification of crystals by use of proper solvents may enhance the dissolution properties by changing the size, number and the nature of crystal faces exposed to the dissolution medium. Also, the faster dissolution rate of drug from the agglomerates of crystals compared with the single crystals may be related to porous structure of the agglomerates and consequently their better wettability. It is concluded from this review that in-depth understanding of role of the solvents in crystallization process can be applied to engineering of crystal habit or crystal agglomeration, and predictably dissolution improvement in poorly soluble drugs. PMID:25789214

Crystallization techniques in wastewater treatment: An overview of applications.

PubMed

Lu, Haijiao; Wang, Jingkang; Wang, Ting; Wang, Na; Bao, Ying; Hao, Hongxun

2017-04-01

As a by-product of industrial or domestic activities, wastewater of different compositions has caused serious environmental problems all over the world. Facing the challenge of wastewater treatment, researchers have begun to make use of crystallization techniques in wastewater treatment. Crystallization techniques have many advantages, such as high efficiency, energy saving, low costs, less space occupation and so on. In recent decades, crystallization is considered as one of promising techniques for wastewater treatment, especially for desalination, water and salt recovery. It has been widely used in engineering applications all over the world. In this paper, various crystallization techniques in wastewater treatment are summarized, mainly including evaporation crystallization, cooling crystallization, reaction crystallization, drowning-out crystallization and membrane distillation crystallization. Overall, they are mainly used for desalination, water and salt recovery. Their applications, advantages and disadvantages were compared and discussed in detail. Copyright © 2017 Elsevier Ltd. All rights reserved.

Template-directed control of crystal morphologies.

PubMed

Meldrum, Fiona C; Ludwigs, Sabine

2007-02-12

Biominerals are characterised by unique morphologies, and it is a long-term synthetic goal to reproduce these synthetically. We here apply a range of templating routes to investigate whether a fascinating category of biominerals, the single crystals with complex forms, can be produced using simple synthetic methods. Macroporous crystals with sponge-like morphologies identical to that of sea urchin skeletal plates were produced on templating with a sponge-like polymer membrane. Similarly, patterning of individual crystal faces was achieved from the micrometer to nanometer scale through crystallisation on colloidal particle monolayers and patterned polymer thin films. These experiments demonstrate the versatility of a templating approach to producing single crystals with unique morphologies.

Crystal-face-selective adsorption of Au nanoparticles onto polycrystalline diamond surfaces.

PubMed

Kondo, Takeshi; Aoshima, Shinsuke; Hirata, Kousuke; Honda, Kensuke; Einaga, Yasuaki; Fujishima, Akira; Kawai, Takeshi

2008-07-15

Crystal-face-selective adsorption of Au nanoparticles (AuNPs) was achieved on polycrystalline boron-doped diamond (BDD) surface via the self-assembly method combined with a UV/ozone treatment. To the best of our knowledge, this is the first report of crystal-face-selective adsorption on an inorganic solid surface. Hydrogen-plasma-treated BDD samples and those followed by UV/ozone treatment for 2 min or longer showed almost no adsorption of AuNP after immersion in the AuNP solution prepared by the citrate reduction method. However, the samples treated by UV/ozone for 10 s showed AuNP adsorption on their (111) facets selectively after the immersion. Moreover, the sample treated with UV/ozone for 40-60 s showed AuNP adsorption on the whole surface. These results indicate that the AuNP adsorption behavior can be controlled by UV/ozone treatment time. This phenomenon was highly reproducible and was applied to a two-step adsorption method, where AuNPs from different batches were adsorbed on the (111) and (100) surface in this order. Our findings may be of great value for the fabrication of advanced nanoparticle-based functional materials via bottom-up approaches with simple macroscale procedures.

Steps in Solution Growth: Revised Gibbs-Thomson Law, Turbulence and Morphological Stability

NASA Technical Reports Server (NTRS)

Chernov, A. A.; Rashkovich, L. N.; Vekilov, P. G.

2004-01-01

Two groups of new phenomena revealed by AFM and high resolution optical interferometry on crystal faces growing from solutions will be discussed. 1. Spacing between strongly polygonized spiral steps with low less than 10(exp -2) kink density on lysozyme and K- biphtalate do not follow the Burton-cabrera-Frank theory. The critical length of the yet immobile first Short step segment adjacent to a pinning defect (dislocation, stacking fault) is many times longer than that following from the step free energy. The low-kink density steps are typical of many growth conditions and materials, including low temperature gas phase epitaxy and MBE. 2. The step bunching pattern on the approx. 1 cm long { 110) KDP face growing from the turbulent solution flow (Re (triple bonds) 10(exp 4), solution flow rate approx. 1 m/s) suggests that the step bunch height does not increase infinitely as the bunch path on the crystal face rises, as is usually observed on large KDP crystals. The mechanism controlling the maximal bunch width and height is based on the drag of the solution depleted by the step bunch down thc solution stream. It includes splitting, coagulation and interlacing of bunches

Ice and anti-nucleating activities of an ice-binding protein from the annual grass, Brachypodium distachyon.

PubMed

Bredow, Melissa; Tomalty, Heather E; Smith, Lindsay; Walker, Virginia K

2018-05-01

Plants exposed to sub-zero temperatures face unique challenges that threaten their survival. The growth of ice crystals in the extracellular space can cause cellular dehydration, plasma membrane rupture and eventual cell death. Additionally, some pathogenic bacteria cause tissue damage by initiating ice crystal growth at high sub-zero temperatures through the use of ice-nucleating proteins (INPs), presumably to access nutrients from lysed cells. An annual species of brome grass, Brachypodium distachyon (Bd), produces an ice-binding protein (IBP) that shapes ice with a modest depression of the freezing point (~0.1 °C at 1 mg/mL), but high ice-recrystallization inhibition (IRI) activity, allowing ice crystals to remain small at near melting temperatures. This IBP, known as BdIRI, is unlike other characterized IBPs with a single ice-binding face, as mutational analysis indicates that BdIRI adsorbs to ice on two faces. BdIRI also dramatically attenuates the nucleation of ice by bacterial INPs (up to -2.26 °C). This 'anti-nucleating' activity is significantly higher than previously documented for any IBP. © 2016 John Wiley & Sons Ltd.

The Photorefractive Effect and its Application in Optical Computing

NASA Astrophysics Data System (ADS)

Li, Guo

This Ph.D dissertation includes the fanning effect and the temperature dependence of the diffraction efficiency and response time using different addressing configurations, and evaluation of the limitations and capacity of a holographic storage in BaTiO_3 crystals. Also, we designed a digital holographic optical disk and made an associate memory. The beam fanning effect in a BaTiO_3 crystal was investigated in detail. The effect depends on the crystal faces illuminated. In particular, for the +c face of illumination we found that the fanning effect strongly depends on angle of incidence, polarization and wavelength of the incident light, crystal temperature, laser beam profile, but only weakly depends on input laser power. In the case of the -c face and a-face illumination dependence of the ring angle on wavelength and input power was observed. We found that the intensity of the reflected beam in NDFWM, the intensity of self phase conjugate beam and the response time of the fanning effect decrease with temperature exponentially and there being a major change around 60 ^circ-80^circ C. A random bistability and oscillation of the SPPC occur around 80^circC. We also present a theoretical analysis for the dependence of the photorefractive effect on temperature. We experimentally evaluate the capacity and limitation of optical storage in BaTiO_3 crystals using self-pumped phase conjugation (SPPC) and two-wave mixing. The storage capacity is different with different face of illumination, polarization, beam profile and input power. We demonstrate that using two wave mixing, three dimensional volume holograms can be stored. The information -bearing beam diameter for storage and recall can be about 0.25mm or less. By these techniques we demonstrate that at least 10^5 holograms can be stored in a 3.5 inch photorefractive disk. We evaluate an optimal optical architecture for exploiting the photorefractive effect for digital holographic disk storage. An image with many pixels was used for this experimental evaluation. By using a raytracing program, we traced a beam with a Gaussian profile through our optical system. We also estimated the Seidel aberration of our optical system in order to determine the quality of the stored digital data.

Growth of tourmaline single crystals containing transition metal elements in hydrothermal solutions

NASA Astrophysics Data System (ADS)

Setkova, Tatiana; Shapovalov, Yury; Balitsky, Vladimir

2011-03-01

Interest in the growth of tourmaline single crystals is based on the promising piezoelectric and pyroelectric properties of this material compared to quartz crystals currently in use. Moreover, synthetic tourmaline can be used as a substitute for the natural stone in the jewelry industry similar to other synthetic analogues of gemstones. Single crystals of colored Co-, Ni-, Fe-, (Ni,Cr)-, (Ni,Fe)-, and (Co,Ni,Cr)-containing tourmalines with concentration of transition metal elements up to 16 wt% on a seed have been grown from complex boron-containing hydrothermal solutions at a range of temperatures 400-750 °C and pressures 100 MPa. Experiments were conducted under conditions of a thermal gradient in titanium and chromium-nickel autoclaves. Tourmaline growth on a seed crystal occurs only if separate tourmaline-forming components (monocrystalline corundum and quartz bars) are used as charge. All tourmalines specified above grow in analogous (+) direction of the optical axis with a speed of 0.05 mm/day by faces of the trigonal pyramid, except tourmalines containing chromium. They grow in analogous (+0001) direction with a speed 0.05 mm/day, and in antilogous (-0001) direction with a speed of 0.01 mm/day by faces of the trigonal pyramid and in prism direction with a speed of 0.001 mm/day. Along with the large single crystals, a great amount of finest (30-150 μm in size) tourmaline crystals was formed during the runs by spontaneous nucleation both on the surface of the seed crystals and in the charge.

Single particle measurements of the chemical composition of cirrus ice residue during CRYSTAL-FACE

NASA Astrophysics Data System (ADS)

Cziczo, D. J.; Murphy, D. M.; Hudson, P. K.; Thomson, D. S.

2004-02-01

The first real-time, in situ, investigation of the chemical composition of the residue of cirrus ice crystals was performed during July 2002. This study was undertaken on a NASA WB-57F high-altitude research aircraft as part of CRYSTAL-FACE, a field campaign which sought to further our understanding of the relation of clouds, water vapor, and climate by characterizing, among other parameters, anvil cirrus formed about the Florida peninsula. A counter flow virtual impactor (CVI) was used to separate cirrus ice from the unactivated interstitial aerosol particles and evaporate condensed-phase water. Residual material, on a crystal-by-crystal basis, was subsequently analyzed using the NOAA Aeronomy Laboratory's Particle Analysis by Laser Mass Spectrometry (PALMS) instrument. Sampling was performed from 5 to 15 km altitude and from 12° to 28° north latitude within cirrus originating over land and ocean. Chemical composition measurements provided several important results. Sea salt was often incorporated into cirrus, consistent with homogeneous ice formation by aerosol particles from the marine boundary layer. Size measurements showed that large particles preferentially froze over smaller ones. Meteoritic material was found within ice crystals, indicative of a relation between stratospheric aerosol particles and tropospheric clouds. Mineral dust was the dominant residue observed in clouds formed during a dust transport event from the Sahara, consistent with a heterogeneous freezing mechanism. These results show that chemical composition and size are important determinants of which aerosol particles form cirrus ice crystals.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chatman, Shawn ME; Zarzycki, Piotr P.; Preocanin, Tajana

Time dependent potentiometric pH titrations were used to study the effect of atomic scale surface structure on the protonation behavior of the structurally well defined hematite/aqueous electrolyte interfaces. Our recently proposed thermodynamic model [1,23] was applied to measured acidimetric and alkalimetric titration hysteresis loops, collected from highly organized (001), (012), and (113) crystal face terminations using pH equilibration times ranging from 15 to 30 mins. Hysteresis loop areas indicate that (001) faces equilibrate faster than the (012) and (113) faces, consistent with the different expected ensembles of singly, doubly, and triply coordinated surface sites on each face. Strongly non-linear hystereticmore » pH-potential relationships were found, with slopes exceeding Nernstian, collectively indicating that protonation and deprotonation is much more complex than embodied in present day surface complexation models. The asymmetrical shape of the acidimetric and alkalimetric titration branches were used to illustrate a proposed steric "leaky screen" repulsion/trapping interaction mechanism that stems from high affinity singly-coordinated sites electrostatically and sterically screening lower affinity doubly and triply coordinated sites. Our data indicate that site interaction is the dominant phenomenon defining surface potential accumulation behavior on single crystal faces of metal oxide minerals.« less

Signature of dislocations and stacking faults of face-centred cubic nanocrystals in coherent X-ray diffraction patterns: a numerical study.

PubMed

Dupraz, Maxime; Beutier, Guillaume; Rodney, David; Mordehai, Dan; Verdier, Marc

2015-06-01

Crystal defects induce strong distortions in diffraction patterns. A single defect alone can yield strong and fine features that are observed in high-resolution diffraction experiments such as coherent X-ray diffraction. The case of face-centred cubic nanocrystals is studied numerically and the signatures of typical defects close to Bragg positions are identified. Crystals of a few tens of nanometres are modelled with realistic atomic potentials and 'relaxed' after introduction of well defined defects such as pure screw or edge dislocations, or Frank or prismatic loops. Diffraction patterns calculated in the kinematic approximation reveal various signatures of the defects depending on the Miller indices. They are strongly modified by the dissociation of the dislocations. Selection rules on the Miller indices are provided, to observe the maximum effect of given crystal defects in the initial and relaxed configurations. The effect of several physical and geometrical parameters such as stacking fault energy, crystal shape and defect position are discussed. The method is illustrated on a complex structure resulting from the simulated nanoindentation of a gold nanocrystal.

Signature of dislocations and stacking faults of face-centred cubic nanocrystals in coherent X-ray diffraction patterns: a numerical study1

PubMed Central

Dupraz, Maxime; Beutier, Guillaume; Rodney, David; Mordehai, Dan; Verdier, Marc

2015-01-01

Crystal defects induce strong distortions in diffraction patterns. A single defect alone can yield strong and fine features that are observed in high-resolution diffraction experiments such as coherent X-ray diffraction. The case of face-centred cubic nanocrystals is studied numerically and the signatures of typical defects close to Bragg positions are identified. Crystals of a few tens of nanometres are modelled with realistic atomic potentials and ‘relaxed’ after introduction of well defined defects such as pure screw or edge dislocations, or Frank or prismatic loops. Diffraction patterns calculated in the kinematic approximation reveal various signatures of the defects depending on the Miller indices. They are strongly modified by the dissociation of the dislocations. Selection rules on the Miller indices are provided, to observe the maximum effect of given crystal defects in the initial and relaxed configurations. The effect of several physical and geometrical parameters such as stacking fault energy, crystal shape and defect position are discussed. The method is illustrated on a complex structure resulting from the simulated nanoindentation of a gold nanocrystal. PMID:26089755

The stability of a crystal with diamond structure for patchy particles with tetrahedral symmetry.

PubMed

Noya, Eva G; Vega, Carlos; Doye, Jonathan P K; Louis, Ard A

2010-06-21

The phase diagram of model anisotropic particles with four attractive patches in a tetrahedral arrangement has been computed at two different values of the range of the potential, with the aim of investigating the conditions under which a diamond crystal can be formed. We find that the diamond phase is never stable for our longer-ranged potential. At low temperatures and pressures, the fluid freezes into a body-centered-cubic solid that can be viewed as two interpenetrating diamond lattices with a weak interaction between the two sublattices. Upon compression, an orientationally ordered face-centered-cubic crystal becomes more stable than the body-centered-cubic crystal, and at higher temperatures, a plastic face-centered-cubic phase is stabilized by the increased entropy due to orientational disorder. A similar phase diagram is found for the shorter-ranged potential, but at low temperatures and pressures, we also find a region over which the diamond phase is thermodynamically favored over the body-centered-cubic phase. The higher vibrational entropy of the diamond structure with respect to the body-centered-cubic solid explains why it is stable even though the enthalpy of the latter phase is lower. Some preliminary studies on the growth of the diamond structure starting from a crystal seed were performed. Even though the diamond phase is never thermodynamically stable for the longer-ranged model, direct coexistence simulations of the interface between the fluid and the body-centered-cubic crystal and between the fluid and the diamond crystal show that at sufficiently low pressures, it is quite probable that in both cases the solid grows into a diamond crystal, albeit involving some defects. These results highlight the importance of kinetic effects in the formation of diamond crystals in systems of patchy particles.

A study on the probability of twin plane formation during the nucleation of AgBr and AgCl crystals in the aqueous gelatin solution

NASA Astrophysics Data System (ADS)

Ohzeki, Katsuhisa; Hosoya, Yoichi

2007-07-01

A study was made on the probability of twin plane formation during the nucleation of AgBr and AgCl crystals. The growth condition was controlled to keep the number of the nuclei, neither decreasing owing to their dissolution, nor increasing owing to the formation of a new nucleus during the growth process. Under the condition, the nuclei were grown to have {1 1 1} faces on their surfaces by controlling pAg in a reaction solution and by use of growth modifier in case of AgCl crystal formation. The number of twin planes in each crystal was judged according to a conventional way on the basis of its morphology. The dependence of the number of twin planes per crystal on the probability of twin plain formation was in accordance with Poisson distribution, indicating the random formation of a twin plane on the {1 1 1} faces of a nucleus. The result that the ratio of number of AgCl crystals with parallel twin planes to all the multiply twinned crystals was about 10% supports the random formation of a twin plane and suggests that the twin plane formation took place on {1 1 1} surfaces at the possible eight corner of a nucleus. On the other hand, the ratio of the number of AgBr crystals with parallel twin planes to all the multiply twinned crystals was more than 50%. The result was explained by the anisotropic growth of a singly twinned nucleus according to the higher growth rate of {1 0 0} surfaces than that of {1 1 1} surfaces.

Shape-Evolution Control of hybrid perovskite CH3NH3PbI3 crystals via solvothermal synthesis

NASA Astrophysics Data System (ADS)

Zhang, Baohua; Guo, Fuqiang; Yang, Lianhong; Jia, Xiuling; Liu, Bin; Xie, Zili; Chen, Dunjun; Lu, Hai; Zhang, Rong; Zheng, Youdou

2017-02-01

We systematically synthesized CH3NH3PbI3 crystals using solvothermal process, and the reaction conditions such as concentration of the precursor, temperature, time, and lead source have been comprehensively investigated to obtain shape-controlled CH3NH3PbI3 crystals. The results showed that the CH3NH3PbI3 crystals exhibit tetragonal phase and the crystals change from nanoparticles to hopper-faced cuboids. Photoluminescence spectra of the crystals obtained with different lead sources show a blue shift due to the presence of defects in the crystals, and the peak intensity is very sensitive to the lead sources. Moreover, impurities (undesirable byproducts and excess components like HI or CH3NH2) presented during crystal growth can result in hopper growth.

A top-down approach to crystal engineering of a racemic Δ2-isoxazoline.

PubMed

Lombardo, Giuseppe M; Rescifina, Antonio; Chiacchio, Ugo; Bacchi, Alessia; Punzo, Francesco

2014-02-01

The crystal structure of racemic dimethyl (4RS,5RS)-3-(4-nitrophenyl)-4,5-dihydroisoxazole-4,5-dicarboxylate, C13H12N2O7, has been determined by single-crystal X-ray diffraction. By analysing the degree of growth of the morphologically important crystal faces, a ranking of the most relevant non-covalent interactions determining the crystal structure can be inferred. The morphological information is considered with an approach opposite to the conventional one: instead of searching inside the structure for the potential key interactions and using them to calculate the crystal habit, the observed crystal morphology is used to define the preferential lines of growth of the crystal, and then this information is interpreted by means of density functional theory (DFT) calculations. Comparison with the X-ray structure confirms the validity of the strategy, thus suggesting this top-down approach to be a useful tool for crystal engineering.

Dislocation Transport in Continuum Crystal Plasticity Simulations (First-year Report)

DTIC Science & Technology

2011-12-01

plasticity model are taken from an existing implementation in ALE3D (Becker, 2004). A brief description is given below. An idealized, two...fluxes are determined on element faces during a first phase , and the deformation due to those fluxes is applied in the subsequent phase . This is...this first phase are averaged on the faces, giving values denoted as , where the superscript refers to the face number associated with the element

The influence of a magnetic field on the microhardness of K, Rb, Cs, NH{sub 4}, and Tl acid phthalate crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koldaeva, M. V., E-mail: mkoldaeva@ns.crys.ras.ru; Turskaya, T. N.; Zakalyukin, R. M.

2009-11-15

The influence of a magnetic field on the microhardness of potassium acid phthalate has been studied for different magnetic inductions, exposure times, sample orientations in a magnetic field, and impurity compositions of the crystals. It was shown that the magnetic field effect is multiply repeated on the (010) face after relaxation. The influence of magnetic treatment on ammonium, rubidium, thallium, and cesium acid phthalate crystals is analyzed. The reasons for the observed changes in the crystal microhardness in the magnetic field are discussed.

Stabilizing subnanometer Ag(0) nanoclusters by thiolate and diphosphine ligands and their crystal structures

NASA Astrophysics Data System (ADS)

Yang, Huayan; Wang, Yu; Zheng, Nanfeng

2013-03-01

The combined use of thiolate and diphosphine as surface ligands helps to stabilize subnanometer Ag(0) nanoclusters, resulting in the successful crystallization of two Ag(0)-containing nanoclusters (Ag16 and Ag32) for X-ray single crystal analysis. Both clusters have core-shell structures with Ag86+ and Ag2212+ as their cores, which are not simply either fragments of face-centered cubic metals or their five-fold twinned counterparts. The clusters display UV-Vis absorption spectra consisting of molecule-like optical transitions.The combined use of thiolate and diphosphine as surface ligands helps to stabilize subnanometer Ag(0) nanoclusters, resulting in the successful crystallization of two Ag(0)-containing nanoclusters (Ag16 and Ag32) for X-ray single crystal analysis. Both clusters have core-shell structures with Ag86+ and Ag2212+ as their cores, which are not simply either fragments of face-centered cubic metals or their five-fold twinned counterparts. The clusters display UV-Vis absorption spectra consisting of molecule-like optical transitions. Electronic supplementary information (ESI) available: Experimental details, more pictures of the structure and XPS spectra of the clusters. CCDC 916463 and 916464. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c3nr34328f

Asymmetric Die Grows Purer Silicon Ribbon

NASA Technical Reports Server (NTRS)

Kalejs, J. P.; Chalmers, B.; Surek, T.

1983-01-01

Concentration of carbide impurities in silicon ribbon is reduced by growing crystalline ribbon with die one wall higher than other. Height difference controls shape of meniscus at liquid/crystal interface and concentrates silicon carbide impurity near one of broad faces. Opposite face is left with above-average purity. Significantly improves efficiency of solar cells made from ribbon.

Structural, thermal and optical properties of a semiorganic nonlinear optical single crystal: glycine zinc sulphate.

PubMed

Balakrishnan, T; Ramamurthi, K

2007-10-01

Glycine zinc sulphate salt was synthesized and the solubility and metastable zonewidth were estimated from the aqueous solution. Single crystals of glycine zinc sulphate were grown by solvent evaporation method from aqueous solution. Grown crystals were characterized by X-ray diffraction and FT-IR spectral analyses. The range and percentage of optical transmission was ascertained by recording UV-vis-NIR spectrum. Thermal properties of the crystal were investigated by thermogravimetric analysis. Microhardness study was carried out on (01-1) face of the grown crystal. Its powder second harmonic generation efficiency was measured using Nd:YAG laser and the value was observed to be 0.7 times that of potassium dihydrogen orthophosphate.

Crystal face temperature determination means

DOEpatents

Nason, Donald O.; Burger, Arnold

1994-01-01

An optically transparent furnace (10) having a detection apparatus (29) with a pedestal (12) enclosed in an evacuated ampule (16) for growing a crystal (14) thereon. Temperature differential is provided by a source heater (20), a base heater (24) and a cold finger (26) such that material migrates from a polycrystalline source material (18) to grow the crystal (14). A quartz halogen lamp (32) projects a collimated beam (30) onto the crystal (14) and a reflected beam (34) is analyzed by a double monochromator and photomultiplier detection spectrometer (40) and the detected peak position (48) in the reflected energy spectrum (44) of the reflected beam (34) is interpreted to determine surface temperature of the crystal (14).

Effect of amino acids on the precipitation kinetics and Ca isotopic composition of gypsum

NASA Astrophysics Data System (ADS)

Harouaka, Khadouja; Kubicki, James D.; Fantle, Matthew S.

2017-12-01

Stirred gypsum (CaSO4 · 2H2O) precipitation experiments (initial Ωgypsum = 2.4 ± 0.14, duration ≈ 1.0-1.5 h) were conducted in the presence of the amino acids glycine (190 μM), L-alanine (190 μM), D- and L-arginine (45 μM), and L-tyrosine (200 μM) to investigate the effect of simple organic compounds on both the precipitation kinetics and Ca isotopic composition of gypsum. Relative to abiotic controls, glycine, tyrosine, and alanine inhibited precipitation rates by ∼22%, 27%, and 29%, respectively, while L- and D-arginine accelerated crystal growth by ∼8% and 48%, respectively. With the exception of tyrosine, amino acid induced inhibition resulted in fractionation factors (αs-f) associated with precipitation that were no more than 0.3‰ lower than amino acid-free controls. In contrast, the tyrosine and D- and L-arginine experiments had αs-f values associated with precipitation that were similar to the controls. Our experimental results indicate that Ca isotopic fractionation associated with gypsum precipitation is impacted by growth inhibition in the presence of amino acids. Specifically, we propose that the surface-specific binding of amino acids to gypsum can change the equilibrium fractionation factor of the bulk mineral. We investigate the hypothesis that amino acids can influence the growth of gypsum at specific crystal faces via adsorption and that different faces have distinct fractionation factors (αface-fluid). Accordingly, preferential sorption of amino acids at particular faces changes the relative, face-specific mass fluxes of Ca during growth, which influences the bulk isotopic composition of the mineral. Density functional theory (DFT) calculations suggest that the energetic favorability of glycine sorption onto gypsum crystal faces occurs in the order: (1 1 0) > (0 1 0) > (1 2 0) > (0 1 1), while glycine sorption onto the (-1 1 1) face was found to be energetically unfavorable. Face-specific fractionation factors constrained by frequency calculations of clusters derived from DFT structures vary by as much as 1.4‰. This suggests that the equilibrium fractionation factor for the bulk crystal can vary substantially, and that surface sorption can induce changes in αeq associated with gypsum precipitation. While we do not rule out the influence of kinetic isotope effects, our results clearly demonstrate that the mode of crystal growth can have a sizeable effect on the bulk fractionation factor (αs-f). Ultimately, our results suggest that the same mechanism by which organic molecules affect the morphology of a mineral can also impact the isotopic composition of the mineral. The results of our study provide valuable insight into the mechanism of Ca isotopic fractionation during gypsum precipitation. Our results are also important for establishing a framework for accurate interpretations of mineral-hosted Ca isotope records of the past, as we demonstrate a mechanistic pathway by which the biological and chemical environment can impact Ca isotopic fractionation during mineral precipitation.

Role of local assembly in the hierarchical crystallization of associating colloidal hard hemispheres

NASA Astrophysics Data System (ADS)

Lei, Qun-li; Hadinoto, Kunn; Ni, Ran

2017-10-01

Hierarchical self-assembly consisting of local associations of simple building blocks for the formation of complex structures widely exists in nature, while the essential role of local assembly remains unknown. In this work, by using computer simulations, we study a simple model system consisting of associating colloidal hemispheres crystallizing into face-centered-cubic crystals comprised of spherical dimers of hemispheres, focusing on the effect of dimer formation on the hierarchical crystallization. We found that besides assisting the crystal nucleation because of increasing the symmetry of building blocks, the association between hemispheres can also induce both reentrant melting and reentrant crystallization depending on the range of interaction. Especially when the interaction is highly sticky, we observe a novel reentrant crystallization of identical crystals, which melt only in a certain temperature range. This offers another axis in fabricating responsive crystalline materials by tuning the fluctuation of local association.

Single crystal plastic behavior of a single-phase, face-center-cubic-structured, equiatomic FeNiCrCo alloy

DOE PAGES

Wu, Zhenggang; Gao, Y. F.; Bei, Hongbin

2015-07-25

To understand the fundamental deformation mechanisms of compositionally complex alloys, single crystals of a multi-component equiatomic FeNiCoCr alloy with face-centered cubic (FCC) structure were grown for mechanical studies. Similarly to typical FCC pure metals, slip trace analyses indicate that dislocation slips take place on (1 1 1) planes along [11¯0] directions. The critical resolved shear stress (CRSS) obeys the Schmid law at both 77 and 293 K, and tension–compression asymmetry is not observed. Although this material slips in a normal FCC manner both at 293 and 77 K, compared to typical FCC metals the CRSS’s strong temperature dependence is abnormal.

Kinetic Roughening Transition and Energetics of Tetragonal Lysozyme Crystal Growth

NASA Technical Reports Server (NTRS)

Gorti, Sridhar; Forsythe, Elizabeth L.; Pusey, Marc L.

2004-01-01

Interpretation of lysozyme crystal growth rates using well-established physical theories enabled the discovery of a phenomenon possibly indicative of kinetic roughening. For example, lysozyme crystals grown above a critical supersaturation sigma, (where supersaturation sigma = ln c/c(sub eq), c = the protein concentration and c(sub eq) = the solubility concentration) exhibit microscopically rough surfaces due to the continuous addition of growth units anywhere on the surface of a crystal. The rate of crystal growth, V(sub c), for the continuous growth process is determined by the continuous flux of macromolecules onto a unit area of the crystal surface, a, from a distance, xi, per unit time due to diffusion, and a probability of attachment onto the crystal surface, expressed. Based upon models applied, the energetics of lysozyme crystal growth was determined. The magnitudes of the energy barriers of crystal growth for both the (110) and (101) faces of tetragonal lysozyme crystals are compared. Finally, evidence supportive of the kinetic roughening hypothesis is presented.

Crystallization in lactose refining-a review.

PubMed

Wong, Shin Yee; Hartel, Richard W

2014-03-01

In the dairy industry, crystallization is an important separation process used in the refining of lactose from whey solutions. In the refining operation, lactose crystals are separated from the whey solution through nucleation, growth, and/or aggregation. The rate of crystallization is determined by the combined effect of crystallizer design, processing parameters, and impurities on the kinetics of the process. This review summarizes studies on lactose crystallization, including the mechanism, theory of crystallization, and the impact of various factors affecting the crystallization kinetics. In addition, an overview of the industrial crystallization operation highlights the problems faced by the lactose manufacturer. The approaches that are beneficial to the lactose manufacturer for process optimization or improvement are summarized in this review. Over the years, much knowledge has been acquired through extensive research. However, the industrial crystallization process is still far from optimized. Therefore, future effort should focus on transferring the new knowledge and technology to the dairy industry. © 2014 Institute of Food Technologists®

Impact of Non-Uniformity in Light Collection on the Energy Resolution of the PANDA Electromagnetic Calorimeter at Photon Energies Below 1 GeV

NASA Astrophysics Data System (ADS)

Diehl, Stefan; Brinkmann, Kai-Thomas; Drexler, Peter; Dormenev, Valery; Novotny, Rainer W.; Rosenbaum, Christoph; Zaunick, Hans-Georg; PANDA-Collaboration

2017-11-01

The electromagnetic calorimeter (EMC) of the PANDA detector at the future FAIR facility comprises more than 15,000 lead tungstate (PWO) crystals. The barrel part will consist of 11 crystal geometries with different degree of tapering, which causes a non-uniformity in light collection as an interplay between the focusing and the internal absorption of the light. For the most tapered crystals the detected light is enhanced by 40%, if the scintillation process is created in the front part of the crystal. Due to the shower development and its fluctuations the non-uniformity leads to a reduction of the energy resolution. To reduce this effect, one lateral crystal side face has been de-polished to a roughness of 0.3 μm. Measurements confirm an increase of the light yield in the rear part of the crystal. In contrast, only a slight decrease can be observed in the front part. The overall non-uniformity is significantly reduced below 5%. This paper will discuss the experimental studies based on GEANT4 and optical simulations to understand the impact of a de-polished side face on the light collection. For consequences on the future performance, a 3×3 sub-array of de-polished crystals was directly studied using a tagged photon beam in the energy range from 50 MeV up to 800 MeV, respectively, performed at the tagged photon facility at MAMI, Mainz. The comparison to an array composed of polished crystals confirms a significant improvement of the constant term of the energy resolution from above 2 % down to 0.5 % and only a small increase of the statistical term. The results can be reproduced in GEANT4 simulations.

The Effects of pH on the Growth and Aspect Ratio of Chicken Egg White Lysozyme Crystals Prepared in Different Buffers

NASA Technical Reports Server (NTRS)

Gibson, U. J.; Horrell, E. E.; Kou, Y.; Pusey, Marc

2000-01-01

We have measured the nucleation and aspect ratio of CEWL crystals grown by vapor diffusion in acetate, butyrate, carbonate, succinate, and phosphate buffers in a range of pH spanning the pK(sub a) of these buffers. The nucleation numbers drop off significantly in the vicinity of pK(sub a) for each of the buffers except the phosphate system, in which we used only the pH range around the second titration point(pK2). There is a concomitant increase in the sizes of the crystals. Some typical nucleation number results are shown. These data support and extend other observations. In addition, we have examined changes in aspect ratio which accompany the suppression of nucleation within each buffer system. The length of the face in the [001] direction was measured, and compared to the width of the (110) face in the [110] type directions. We find that while the aspect ratio of the crystals is affected by pH, it is dominated by a correlation with the size of the crystals. Small crystals are longer in the [0011 direction than crystals that are larger (higher pH within a buffer system). This relationship is found to hold independent of the choice of buffer. These results are consistent with those of Judge et al, who used a batch process which resulted in uniform sizing of crystals at each pH. In these experiments, we specifically avoid agitating the protein/salt buffer mixture when combining the two. This permits the formation of a range of sizes at a given pH. The results for a .05 M acetate 5% NaCl buffer are also shown. We will discuss these results in light of a growth model.

Age of the Lava Creek supereruption and magma chamber assembly at Yellowstone based on 40Ar/39Ar and U-Pb dating of sanidine and zircon crystals

USGS Publications Warehouse

Matthews, Naomi E.; Vazquez, Jorge A.; Calvert, Andrew T.

2015-01-01

The last supereruption from the Yellowstone Plateau formed Yellowstone caldera and ejected the >1000 km3 of rhyolite that composes the Lava Creek Tuff. Tephra from the Lava Creek eruption is a key Quaternary chronostratigraphic marker, in particular for dating the deposition of mid Pleistocene glacial and pluvial deposits in western North America. To resolve the timing of eruption and crystallization history for the Lava Creek magma, we performed (1) 40Ar/39Ar dating of single sanidine crystals to delimit eruption age and (2) ion microprobe U-Pb and trace-element analyses of the crystal faces and interiors of single zircons to date the interval of zircon crystallization and characterize magmatic evolution. Sanidines from the two informal members composing Lava Creek Tuff yield a preferred 40Ar/39Ar isochron date of 631.3 ± 4.3 ka. Crystal faces on zircons from both members yield a weighted mean 206Pb/238U date of 626.5 ± 5.8 ka, and have trace element concentrations that vary with the eruptive stratigraphy. Zircon interiors yield a mean 206Pb/238U date of 659.8 ± 5.5 ka, and reveal reverse and/or oscillatory zoning of trace element concentrations, with many crystals containing high U concentration cores that likely grew from highly evolved melt. The occurrence of distal Lava Creek tephra in stratigraphic sequences marking the Marine Isotope Stage 16–15 transition supports the apparent eruption age of ∼631 ka. The combined results reveal that Lava Creek zircons record episodic heating, renewed crystallization, and an overall up-temperature evolution for Yellowstone's subvolcanic reservoir in the 103−104 year interval before eruption.

Cr:ZnSe laser pumped with Tm:YAP microchip laser

NASA Astrophysics Data System (ADS)

Koranda, Petr; Sulc, Jan; Doroshenko, Maxim; Jelinková, Helena; Basiev, Tasoltan T.; Osiko, Vjatcheslav; Badikov, V. V.; Badikov, D.

2010-02-01

Cr:ZnSe laser coherently longitudinally pumped with Tm:YAP microchip laser was realised. The pumping laser consisted of Tm:YAP crystal (3x3 mm) with resonator mirrors deposited directly on its faces (on rear face the dielectric layer with high reflectance for 1998 nm wavelength and high transmittance for 790 nm pumping radiation wavelength; on output face the dielectric layer with reflectance 97% at 1998 nm wavelength). The maximal output power was 5.5 W and the generated radiation wavelength was 1998 nm. The main advantage of this pumping was stable and still output without relaxation spikes (non-spiking). The Tm:YAP laser radiation was collimated and focused by the set of two CaF2 lenses. The pumping beam spot diameter inside the Cr:ZnSe crystal was 300 μm. The Cr:ZnSe laser resonator consisted of flat rear mirror (HT at 1998 nm and HR at 2100 - 2900 nm) and curved output coupler (r = -150 mm, R = 95% at 2100 - 2700 nm). The maximal output energy of stable radiation was 4 mJ (pulse duration 10 ms, repetition rate 10 Hz). For wavelength tuning the Lyott filter (quartz plate under Brewster angle) was placed between the Cr:ZnSe crystal and output coupler. The generated radiation wavelength was continuously tunable from 2246 - 2650 nm.

Insight into Flufenamic Acid Cocrystal Dissolution in the Presence of a Polymer in Solution: from Single Crystal to Powder Dissolution.

PubMed

Guo, Minshan; Wang, Ke; Qiao, Ning; Fábián, László; Sadiq, Ghazala; Li, Mingzhong

2017-12-04

Effects of three polymers, polyethylene glycol (PEG), polyvinylpyrrolidone (PVP), and copolymer of vinylpyrrolidone/vinyl acetate (PVP-VA), on the dissolution behavior of the cocrystals of flufenamic acid with theophylline (FFA-TP CO) and nicotinamide (FFA-NIC CO) were investigated at multiple length scales. At the molecular level, the interactions of crystal surfaces with a polymer were analyzed by observing etching pattern changes using atomic force microscopy. At the macroscopic scale, dissolution rates of particular faces of a single crystal were determined by measurement of the physical retreat velocities of the faces using optical light microscopy. In the bulk experiments, the FFA concentration in a dissolution medium in the absence or presence of a polymer was measured under both sink and nonsink conditions. It has been found that the dissolution mechanisms of FFA-TP CO are controlled by the defect sites of the crystal surface and by precipitation of the parent drug FFA as individual crystals in the bulk fluid. In contrast, the dissolution mechanisms of FFA-NIC CO are controlled by surface layer removal and by a surface precipitation mechanism, where the parent drug FFA precipitates directly onto the surface of the dissolving cocrystals. Through controlling the dissolution environment by predissolving a polymer, PVP or PVP-VA, which can interact with the crystal surface to alter its dissolution properties, improved solubility, and dissolution rates of FFA-TP CO and FFA-NIC CO have been demonstrated.

Growth habit and surface morphology of L-arginine phosphate monohydrate single crystals

NASA Astrophysics Data System (ADS)

Sangwal, K.; Veintemillas-Verdaguer, S.; Torrent-Burgués, J.

1995-10-01

The results of a study of the growth habit and the surface topography of L-arginine phosphate monohydrate (LAP) single crystals as a function of supersaturation are described and discussed. Apart from a change in the growth habit with supersaturation, it was observed that most of the as-grown faces of LAP exhibit isolated growth hillocks and macrohillocks and parallel bunched layers and that the formation of bunched layers is pronounced on faces showing macrohillocks. Observations of bunching of growth layers emitted by macrohillocks on the {100} faces revealed that, for the onset of bunching close to a macrospiral, there is a characteristic threshold distance whose value depends on the interstep distance and supersaturation, but is independent of step height. The theoretical habit of LAP deduced from PBC analysis showed that all faces exhibiting growth hillocks and macrohillocks are F faces. Analysis of the results on bunch formation revealed that growth of LAP takes place by the direct integration of growth entities at the growth steps, that the bunching is facilitated by an increasing value of the activation energy for their integration, and that the observed dependencies of threshold distance on interstep distance, supersaturation and step height are qualitatively in agreement with van der Eerden and Müller-Krumbhaar's theory of bunch formation.

TIGRESS highly-segmented high-purity germanium clover detector

NASA Astrophysics Data System (ADS)

Scraggs, H. C.; Pearson, C. J.; Hackman, G.; Smith, M. B.; Austin, R. A. E.; Ball, G. C.; Boston, A. J.; Bricault, P.; Chakrawarthy, R. S.; Churchman, R.; Cowan, N.; Cronkhite, G.; Cunningham, E. S.; Drake, T. E.; Finlay, P.; Garrett, P. E.; Grinyer, G. F.; Hyland, B.; Jones, B.; Leslie, J. R.; Martin, J.-P.; Morris, D.; Morton, A. C.; Phillips, A. A.; Sarazin, F.; Schumaker, M. A.; Svensson, C. E.; Valiente-Dobón, J. J.; Waddington, J. C.; Watters, L. M.; Zimmerman, L.

2005-05-01

The TRIUMF-ISAC Gamma-Ray Escape-Suppressed Spectrometer (TIGRESS) will consist of twelve units of four high-purity germanium (HPGe) crystals in a common cryostat. The outer contacts of each crystal will be divided into four quadrants and two lateral segments for a total of eight outer contacts. The performance of a prototype HPGe four-crystal unit has been investigated. Integrated noise spectra for all contacts were measured. Energy resolutions, relative efficiencies for both individual crystals and for the entire unit, and peak-to-total ratios were measured with point-like sources. Position-dependent performance was measured by moving a collimated source across the face of the detector.

Li2MoO4 crystal growth from solution activated by low-frequency vibrations

NASA Astrophysics Data System (ADS)

Barinova, Olga; Sadovskiy, Andrey; Ermochenkov, Ivan; Kirsanova, Svetlana; Sukhanova, Ekaterina; Kostikov, Vladimir; Belov, Stanislav; Mozhevitina, Elena; Khomyakov, Andrew; Kuchuk, Zhanna; Zharikov, Eugeny; Avetissov, Igor

2017-01-01

The possibility of Li2MoO4 crystal growth from aqueous solutions activated by axial vibrational control (AVC) technique was investigated. It was found out that a low-frequency mechanical activation of the solution led to an increase of Li2MoO4 equilibrium solubility in aqueous solution for 11 rel% in the 25-29 °C temperature range. The changes in solution structure were analyzed in situ by Raman study of the solution. The AVC activation of solution resulted in a re-faceting of growing crystals, a smoothing of a face surface morphology and reduction of water content in the crystal.

Constitutive Modeling of Superalloy Single Crystals and Directionally Solidified Materials

NASA Technical Reports Server (NTRS)

Walker, K. P.; Jordan, E. H.

1985-01-01

A unified viscoplastic constitutive relation based on crystallographic slip theory was developed for the deformation analysis of nickel base face centered cubic superalloy single crystals at elevated temperature. The single crystal theory is embedded in a self consistent method to derive a constitutive relation for a directionally solidified material comprised of a polycrystalline aggregate of columnar cylindrical grains. One of the crystallographic axes of the cylindrical crystals points in the columnar direction while the remaining crystallographic axes are oriented at random in the basal plane perpendicular to the columnar direction. These constitutive formulations are coded in FORTRAN for use in nonlinear finite element and boundary element programs.

Microhardness study of the nonlinear optical crystal L-arginine hydrochloride monohydrate

NASA Astrophysics Data System (ADS)

Mukerji, Sudeshna; Kar, Tanusree

2000-12-01

The results of measurement of the Vickers microhardness ( H v ) of the (100), (010), and (001) faces of the nonlinear optical (NLO) crystal L-arginine hydrochloride monohydrate (LAHCl) have been reported. It was observed that the microhardnesses of the three crystal planes decrease with the increase of applied load, and the hardness profile is different for different planes. The proportional specimen-resistance (PSR) model of Li and Bradt is used to explain the microhardness behavior of LAHCl. The indentation work-hardening coefficients ( n) for three planes were found to be greater than 1.8, and this indicates that LAHCl is a soft crystal.

Effect of Interaction of the Temperature Field and Supersaturation on the Morphology of the Solid-Vapor Interface in Crystal Growth by Physical Vapor Transport

NASA Technical Reports Server (NTRS)

Grasza, K.; Palosz, W.; Curreri, Peter A. (Technical Monitor)

2002-01-01

An in-situ study of the morphology of the solid-vapor interface during iodine crystal growth was done. The conditions for terrace growth, flat faces formation and retraction, competition between sources of steps, formation of protrusions, surface roughening, and defect overgrowth are demonstrated and discussed.

Habit control of deuterated potassium dihydrogen phosphate crystal for laser applications

NASA Astrophysics Data System (ADS)

Guzman, L. A.; Suzuki, M.; Fujimoto, Y.; Fujioka, K.

2016-03-01

In this study we investigate the habit of partially deuterated potassium dihydrogen phosphate (DKDP) crystals in the presence of Al3+ ions. We have grown single DKDP crystals in (50wt% and 80wt%) partially deuterated solutions and in solutions doped with Al3+ ions (2 ppm) by the point-seed rapid growth technique at controlled supercooling (ΔT=10°C). The growth length of each crystal face was measured and the aspect ratio was calculated. We found that crystals grown in partially deuterated solutions are similar in aspect ratio, while, crystals grown in deuterated solutions doped with Al3+ ions showed a relative change in aspect ratio, the crystal increased in size in the pyramidal direction (vertical axis direction). Crystal characteristics were also analyzed by X-ray diffraction, FTIR and Raman spectroscopy. We have speculated that the relative habit modification is due to a probably adsorption and inclusions of Al3+ ions in the prismatic section of the crystal.

Growth, structural, optical and thermal properties of gamma-glycine crystal.

PubMed

Balakrishnan, T; Babu, R Ramesh; Ramamurthi, K

2008-04-01

Single crystals of gamma-glycine were grown from a mixture of glycine, water and lithium bromide. Single crystal X-ray diffraction analysis confirmed the growth of gamma-glycine phase. Presence of various functional groups of gamma-glycine was identified by FTIR spectrum. Optical absorbance spectrum recorded in the wavelength range of UV-vis-NIR revealed that this crystal has good optical transparency in the range 250-1500 nm. Vickers microhardness values were estimated on the prominent (100) face. Thermogravimetric and differential scanning calorimetric analyses were carried out to study the thermal properties of gamma-glycine. Second harmonic generation efficiency of the crystal measured by Kurtz's powder method using Nd:YAG laser is about three times that of KDP.

Finding the Cold Needle in a Warm Haystack: Infrared Imaging Applied to Locating Cryo-cooled Crystals in Loops

NASA Technical Reports Server (NTRS)

Snell, Edward; vanderWoerd, Mark

2003-01-01

Thermally imaging the cryocooling processes of crystals has been demonstrated showing the progression of a cold wave through a crystal from the face closest to the origin of the coldstream ending at the point furthest away. During these studies large volume crystals were clearly distinguished from the loop holding them. Large volume crystals, used for neutron studies, were chosen deliberately to enhance the imaging. The different infrared transmission and reflectance properties of the crystal in comparison to the cryo-protectant are thought to be the parameter that produces the contrast making the crystal visible. As an application of the technology to locating crystals, more small crystals of lysozyme and a bFGF/dna complex were cryo-protected and imaged in large loops. The crystals were clearly distinguished from the vitrified solution. In the case of the bFGF/dna complex the illumination had to be carefully manipulated to enable the crystal to be seen in the visible spectrum. These preliminary results will be presented along with advantages and disadvantages of the technique and a discussion of how it might be applied.

Structure determination of a major facilitator peptide transporter: Inward facing PepTSt from Streptococcus thermophilus crystallized in space group P3121

PubMed Central

Quistgaard, Esben M.; Martinez Molledo, Maria

2017-01-01

Major facilitator superfamily (MFS) peptide transporters (typically referred to as PepT, POT or PTR transporters) mediate the uptake of di- and tripeptides, and so play an important dietary role in many organisms. In recent years, a better understanding of the molecular basis for this process has emerged, which is in large part due to a steep increase in structural information. Yet, the conformational transitions underlying the transport mechanism are still not fully understood, and additional data is therefore needed. Here we report in detail the detergent screening, crystallization, experimental MIRAS phasing, and refinement of the peptide transporter PepTSt from Streptococcus thermophilus. The space group is P3121, and the protein is crystallized in a monomeric inward facing form. The binding site is likely to be somewhat occluded, as the lobe encompassing transmembrane helices 10 and 11 is markedly bent towards the central pore of the protein, but the extent of this potential occlusion could not be determined due to disorder at the apex of the lobe. Based on structural comparisons with the seven previously determined P212121 and C2221 structures of inward facing PepTSt, the structural flexibility as well as the conformational changes mediating transition between the inward open and inward facing occluded states are discussed. In conclusion, this report improves our understanding of the structure and conformational cycle of PepTSt, and can furthermore serve as a case study, which may aid in supporting future structure determinations of additional MFS transporters or other integral membrane proteins. PMID:28264013

Noninvasive in situ observation of the crystallization kinetics of biological macromolecules by confocal laser scanning microscopy.

PubMed

Mühlig, P; Klupsch, Th; Kaulmann, U; Hilgenfeld, R

2003-04-01

High-resolution confocal laser scanning microscopy (CLSM) is a powerful tool for in situ observation and analysis of protein crystal growth kinetics. Because the resolution of CLSM is not diffraction-limited by the object, it is possible to visualize, under certain conditions, objects in molecular dimensions. A modified batch technique is applied which allows the growth kinetics of sufficiently small crystallites fixed at the lower side of a cover glass, within a hanging drop, to be studied in reflected light near the total reflection angle. A gap, or cavity, filled with solution is formed between the cover glass and the upper crystal face, which acts to fix small crystallites by hydrodynamic friction forces. The cavity height enables the propagation of molecular steps across the upper crystal face without constraint, so that the propagation velocity and geometrical parameters can be measured by CLSM. The layer growth kinetics of monoclinic crystallites of a long-acting insulin derivative (Insulin Glargine) is investigated. For a twofold supersaturation of the solution, the growth is governed by 2D nucleation at the edges of the crystallites followed by a spreading of molecular steps. The layer growth kinetics are well fitted by the simple cubic kinetic lattice model. We find that only about one of a thousand solute (protein) molecules which push a kink place due to their Brownian motion becomes really incorporated into the growing crystal.

Crystal packing, high-temperature phase transition, second-order nonlinear optical and biological activities in a hybrid material: [(S)sbnd C7H16N2][CuBr4

NASA Astrophysics Data System (ADS)

Hadj Sadok, Ines Ben; Hajlaoui, Fadhel; Ayed, Hanen Ben; Ennaceur, Nasreddine; Nasri, Moncef; Audebrand, Nathalie; Bataille, Thierry; Zouari, Nabil

2018-09-01

The directed synthesis of non-centrosymmetric copper (II) bromo-complex has been achieved through the use of homochiral organic molecule. Reaction containing (S)-(-)-3-aminoquinuclidine, CuBr2, HBr and H2O were subjected to mild hydrothermal conditions, resulting in the growth of single crystals of [(S)sbnd C7H16N2][CuBr4]. The compound crystallizes in the non polar space group P212121(No. 19), which exhibits the enantiomorphic crystal class 222 (D2). In the crystal structure, the tetrabromocuprate(II) anion is connected to three organic cations through Nsbnd H…Br hydrogen bonds to form cation-anion-cation molecular units, which are held together by means of offset face-to-face interactions to give one-dimensional chains. DSC measurements indicated that the compound [(S)sbnd C7H16N2][CuBr4] underwent a reversible phase transition at 80 °C. [(S)sbnd C7H16N2][CuBr4] is more than 1.2 times as efficient as KDP in second harmonic generation; making it a potentially attractive material for non-linear optical applications. The synthesized product was also screened for in vitro antioxidant and antimicrobial activities, while showing favorable antioxidant activities against DPPH as well as the discoloration of β-carotene.

Microgravity

NASA Image and Video Library

1998-02-05

Scarning electron microscope images of the surface of ZBLAN fibers pulled in microgravity (ug) and on Earth (1g) show the crystallization that normally occurs in ground-based processing. The face of each crystal will reflect or refract a portion of the optical signal, thus degrading its quality. NASA is conducting research on pulling ZBLAN fibers in the low-g environment of space to prevent crystallization that limits ZBLAN's usefulness in optical fiber-based communications. ZBLAN is a heavy-metal fluoride glass that shows exdeptional promise for high-throughput communications with infrared lasers. Photo credit: NASA/Marshall Space Flight Center

White-black and white-Hispanic differences on fluid and crystallized abilities by age across the 11- to 94-year range.

PubMed

Kaufman, J C; McLean, J E; Kaufman, A S; Kaufman, N L

1994-12-01

Standardization data for the Kaufman Adolescent and Adult Intelligence Test (KAIT) were used to examine white-black and white-Hispanic differences on the Horn-Cattell crystallized and fluid constructs at several age groups across the broad 11- to 94-year span. Samples included 1,547 white, 241 black, and 140 Hispanic persons. Multivariate analyses with educational attainment covaried yielded only one significant finding: the white-black difference on the Crystallized Famous Faces subtest became smaller with increasing age.

Efficient Incorporation of Mg in Solution Grown GaN Crystals

NASA Astrophysics Data System (ADS)

Freitas, Jaime A., Jr.; Feigelson, Boris N.; Anderson, Travis J.

2013-11-01

Detailed spectrometry and optical spectroscopy studies carried out on GaN crystals grown in solution detect and identify Mg as the dominant shallow acceptor. Selective etching of crystals with higher Mg levels than that of the donor concentration background indicates that Mg acceptors incorporate preferentially in the N-polar face. Electrical transport measurements verified an efficient incorporation and activation of the Mg acceptors. These results suggest that this growth method has the potential to produce p-type doped epitaxial layers or p-type substrates characterized by high hole concentration and low defect density.

Low-stress pressure solution experiments on halite single-crystals

NASA Astrophysics Data System (ADS)

Martin, Brigitte; Röller, Klaus; Stöckhert, Bernhard

1999-07-01

Pressure solution experiments on halite single-crystals in saturated solution were carried out at atmospheric pressure under uniaxial stress ranging from 0.1 to 2.0 MPa and at temperatures of 303 and 323 K. The experiments were performed in ceramic loading rigs with damp-proofed sample chambers. The low uniaxial stress is applied by loading the piston with steel weights ranging from 0.5 to 5.0 kg. The position of the piston is measured by an electronic displacement transducer, connected to a data acquisition system. Deviations caused by fluctuations of temperature and output voltage of the power supply are corrected after data acquisition. The halite cubes {100} with edge dimensions of 3-9 mm are prepared by cleaving and placed with a (100) cleavage face on the (001) face of a muscovite single-crystal (10×10×0.1 mm), a polished quartz (0001) plate, or another halite crystal oriented to form a 45° twist boundary. The four free (100) faces of the halite cube are in contact with the surrounding NaCl solution. The initial displacement rate of the piston after flooding of the system and loading is up to 50.0 μm/day, attributed to smoothing of the halite face and elimination of point contacts with high stress concentration. Within 2 to 3 days this stage grades into steady-state displacement with rates of 0.1-2.0 μm/day. In some experiments stages of higher displacement rates (2.0-5.0 μm/day) lasting for 3-5 days are observed episodically, with intervals of 10-15 days. These cycles appear not to be triggered by external events. Experiments with a dry mica-halite interface, carried out for comparison at the same temperature and at an uniaxial stress of 2 MPa, result in a displacement rate below the limits of detection. This rules out a significant contribution of crystal plastic deformation in the wet experiments. The experimental results show no simple correlation between displacement rate and magnitude of uniaxial stress, crystal size, type of the interface, and temperature. At the given conditions, convergence at a single interface due to pressure solution is apparently not a steady-state process. The alternating stages of lower and higher displacement rates observed in many experiments suggest that the mechanisms of transport or dissolution may change spontaneously during the experiment. It is possible that the process itself leads to an unstable configuration causing episodic changes.

Age of the Lava Creek supereruption and magma chamber assembly at Yellowstone based on 40Ar/39Ar and U-Pb dating of sanidine and zircon crystals

NASA Astrophysics Data System (ADS)

Vazquez, J. A.; Matthews, N. E.; Calvert, A. T.

2015-12-01

The last supereruption from the Yellowstone Plateau formed Yellowstone caldera and ejected the >1000 km3 of rhyolite that composes the Lava Creek Tuff (LCT). Tephra from the eruption blanketed much of the western United States, and is a key Quaternary chronostratigraphic marker, in particular for dating deposition of mid-Pleistocene glacial and pluvial deposits in western North America. We performed 40Ar/39Ar dating of single sanidines to delimit eruption age, and ion microprobe U-Pb and trace-element analyses of crystal faces on single zircons to characterize magmatic evolution and date near-eruption crystallization, as well as analyses of crystal interiors to date the interval of zircon crystallization. Sanidines from the two LCT members A and B yield an 40Ar/39Ar isochron date of 631 ± 4 ka (2σ). Crystal faces on zircons from both members yield a weighted mean 206Pb/238U date of 627 ± 6 ka (2σ) and have trace element concentrations that vary with eruptive stratigraphy. Zircon interiors yield a weighted mean 206Pb/238U date of 660 ± 6 ka, and reveal reverse and/or oscillatory zoning of trace element concentrations, with many crystals containing high-U concentrations and dark cathodoluminescence (CL) cores. These crystals with high-U cores are possibly sourced from 'defrosting' of melt-impregnated margins of the growing subvolcanic reservoir. LCT sanidines mirror the variation of zircon composition within the eruptive stratigraphy, with crystals from upper LCT-A and basal LCT-B having bright-CL rims with high Ba concentrations, suggesting late crystallization after addition of less evolved silicic magma. The occurrence of distal LCT in stratigraphic sequences marking the Marine Isotope Stage 16-15 transition supports the apparent eruption age of ca. 631 ka. These results reveal that Lava Creek zircons record episodic heating, renewed crystallization, and an overall up-temperature evolution for Yellowstone's subvolcanic reservoir in the 103-104 year interval before eruption.

Growth and adhesion properties of monosodium urate monohydrate (MSU) crystals

NASA Astrophysics Data System (ADS)

Perrin, Clare M.

The presence of monosodium urate monohydrate (MSU) crystals in the synovial fluid has long been associated with the joint disease gout. To elucidate the molecular level growth mechanism and adhesive properties of MSU crystals, atomic force microscopy (AFM), scanning electron microscopy, and dynamic light scattering (DLS) techniques were employed in the characterization of the (010) and (1-10) faces of MSU, as well as physiologically relevant solutions supersaturated with urate. Topographical AFM imaging of both MSU (010) and (1-10) revealed the presence of crystalline layers of urate arranged into v-shaped features of varying height. Growth rates were measured for both monolayers (elementary steps) and multiple layers (macrosteps) on both crystal faces under a wide range of urate supersaturation in physiologically relevant solutions. Step velocities for monolayers and multiple layers displayed a second order polynomial dependence on urate supersaturation on MSU (010) and (1-10), with step velocities on (1-10) generally half of those measured on MSU (010) in corresponding growth conditions. Perpendicular step velocities on MSU (010) were obtained and also showed a second order polynomial dependence of step velocity with respect to urate supersaturation, which implies a 2D-island nucleation growth mechanism for MSU (010). Extensive topographical imaging of MSU (010) showed island adsorption from urate growth solutions under all urate solution concentrations investigated, lending further support for the determined growth mechanism. Island sizes derived from DLS experiments on growth solutions were in agreement with those measured on MSU (010) topographical images. Chemical force microscopy (CFM) was utilized to characterize the adhesive properties of MSU (010) and (1-10). AFM probes functionalized with amino acid derivatives and bio-macromolecules found in the synovial fluid were brought into contact with both crystal faces and adhesion forces were tabulated into histograms for comparison. AFM probes functionalized with -COO-, -CH3, and -OH functionalities displayed similar adhesion force with both crystal surfaces of MSU, while adhesion force on (1-10) was three times greater than (010) for -NH2+ probes. For AFM probes functionalized with bovine serum albumin, adhesion force was three times greater on MSU (1-10) than (010), most likely due to the more ionic nature of (1-10).

Phase Shift Interferometer and Growth Set Up to Step Pattern Formation During Growth From Solutions. Influence of the Oscillatory solution Flow on Stability

NASA Technical Reports Server (NTRS)

Chernov, Alex A.; Booth, N. A.; Vekilov, P. G.; Murray, B. T.; McFadden, G. B.

2000-01-01

We have assembled an experimental setup based on Michelson interferometry with the growing crystal surface as one of the reflective surfaces. The crystallization part of the device allows optical monitoring of a face of a crystal growing at temperature stable within 0.05 C in a flow of solution of controlled direction and speed. The reference arm of the interferometer contains a liquid crystal element that allows controlled shifts of the phase of the interferograms. We employ an image-processing algorithm, which combines five images with a pi/2 phase difference between each pair of images. The images are transferred to a computer by a camera capable of capturing 60 frames per second. The device allows data collection on surface morphology and kinetics during the face layers growth over a relatively large area (approximately 4 sq. mm) in situ and in real time during growth. The estimated depth resolution of the phase shifting interferometry is approximately 50 Angstroms. The data will be analyzed in order to reveal and monitor step bunching during the growth process. The crystal chosen as a model for study in this work is KH2PO4 (KDP). This optically non-linear material is widely used in frequency doubling applications. There have been a number of studies of the kinetics of KDP crystallization that can serve as a benchmark for our investigations. However, so far, systematic quantitative characteristics of step interaction and bunching are missing. We intend to present our first quantitative results on the onset, initial stages and development of instabilities in moving step trains on vicinal crystal surfaces at varying supersaturation, flow rate, and flow direction. Behavior of a vicinal face growing from solution flowing normal to the steps and periodically changing its direction in time was considered theoretically. It was found that this oscillating flow reduces both stabilization and destabilization effects resulted from the unidirectional solution flow directed up the step stream and down the step stream. This reduction of stabilization and destabilization comes from effective mixing which entangles the phase shifts between the spatially periodic interface perturbation and the concentration wave induced by this perturbation. Numerical results and simplified mixing criterion will be discussed.

Instrument and method for focusing x rays, gamma rays, and neutrons

DOEpatents

Smither, R.K.

1981-04-20

A crystal diffraction instrument is described which has an improved crystalline structure having a face for receiving a beam of photons or neutrons and diffraction planar spacing along that face with the spacing increasing progressively along the face to provide a decreasing Bragg angle and thereby increasing the usable area and acceptance angle. The increased planar spacing is provided by the use of a temperature differential across the crystalline structure, by assembling a plurality of crystalline structure with different compositions, by an individual crystalline structure with a varying composition and thereby a changing planar spacing along its face, and by combinations of these techniques.

Single Crystals Grown Under Unconstrained Conditions

NASA Astrophysics Data System (ADS)

Sunagawa, Ichiro

Based on detailed investigations on morphology (evolution and variation in external forms), surface microtopography of crystal faces (spirals and etch figures), internal morphology (growth sectors, growth banding and associated impurity partitioning) and perfection (dislocations and other lattice defects) in single crystals, we can deduce how and by what mechanism the crystal grew and experienced fluctuation in growth parameters through its growth and post-growth history under unconstrained condition. The information is useful not only in finding appropriate way to growing highly perfect and homogeneous single crystals, but also in deciphering letters sent from the depth of the Earth and the Space. It is also useful in discriminating synthetic from natural gemstones. In this chapter, available methods to obtain molecular information are briefly summarized, and actual examples to demonstrate the importance of this type of investigations are selected from both natural minerals (diamond, quartz, hematite, corundum, beryl, phlogopite) and synthetic crystals (SiC, diamond, corundum, beryl).

Hard-sphere crystallization gets rarer with increasing dimension

NASA Astrophysics Data System (ADS)

van Meel, J. A.; Charbonneau, B.; Fortini, A.; Charbonneau, P.

2009-12-01

We recently found that crystallization of monodisperse hard spheres from the bulk fluid faces a much higher free-energy barrier in four than in three dimensions at equivalent supersaturation, due to the increased geometrical frustration between the simplex-based fluid order and the crystal [J. A. van Meel, D. Frenkel, and P. Charbonneau, Phys. Rev. E 79, 030201(R) (2009)]. Here, we analyze the microscopic contributions to the fluid-crystal interfacial free energy to understand how the barrier to crystallization changes with dimension. We find the barrier to grow with dimension and we identify the role of polydispersity in preventing crystal formation. The increased fluid stability allows us to study the jamming behavior in four, five, and six dimensions and to compare our observations with two recent theories [C. Song, P. Wang, and H. A. Makse, Nature (London) 453, 629 (2008); G. Parisi and F. Zamponi, Rev. Mod. Phys. (to be published)].

Hands-Free Transcranial Color Doppler Probe

NASA Technical Reports Server (NTRS)

Chin, Robert; Madala, Srihdar; Sattler, Graham

2012-01-01

Current transcranial color Doppler (TCD) transducer probes are bulky and difficult to move in tiny increments to search and optimize TCD signals. This invention provides miniature motions of a TCD transducer probe to optimize TCD signals. The mechanical probe uses a spherical bearing in guiding and locating the tilting crystal face. The lateral motion of the crystal face as it tilts across the full range of motion was achieved by minimizing the distance between the pivot location and the crystal face. The smallest commonly available metal spherical bearing was used with an outer diameter of 12 mm, a 3-mm tall retaining ring, and 5-mm overall height. Small geared motors were used that would provide sufficient power in a very compact package. After confirming the validity of the basic positioning concept, optimization design loops were completed to yield the final design. A parallel motor configuration was used to minimize the amount of space wasted inside the probe case while minimizing the overall case dimensions. The distance from the front edge of the crystal to the edge of the case was also minimized to allow positioning of the probe very close to the ear on the temporal lobe. The mechanical probe is able to achieve a +/-20deg tip and tilt with smooth repeatable action in a very compact package. The enclosed probe is about 7 cm long, 4 cm wide, and 1.8 cm tall. The device is compact, hands-free, and can be adjusted via an innovative touchscreen. Positioning of the probe to the head is performed via conventional transducer gels and pillows. This device is amendable to having advanced software, which could intelligently focus and optimize the TCD signal.

Use of the Primitive Unit Cell in Understanding Subtle Features of the Cubic Closest-Packed Structure

ERIC Educational Resources Information Center

Hawkins, John A.; Rittenhouse, Jeffrey L.; Soper, Linda M.; Rittenhouse, Robert C.

2008-01-01

One of the most important crystal structures adopted by metals is characterized by the "abcabc"...stacking of close-packed layers. This structure is commonly referred to in textbooks as the cubic close-packed (ccp) or face-centered cubic (fcc) structure, since the entire lattice can be generated by replication of a face-centered cubic unit cell…

Method for estimating the morphological significance of simple forms of crystals from X-ray data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Treivus, E. B., E-mail: sbobr1@bk.ru

2010-09-15

When developing V.I. Mikheev and I.I. Shafranovskii's method for estimating the morphological significance of faces of different simple forms from X-ray reflection intensities, a way to approximately evaluate the morphological significance of simple forms on crystals from the structure amplitudes of the corresponding atomic planes is proposed. The potential for this approach is demonstrated by the examples of marcasite and zircon.

Crystallography of decahedral and icosahedral particles. I - Geometry of twinning

NASA Technical Reports Server (NTRS)

Yang, C. Y.

1979-01-01

The crystal structure of the tetrahedral twins in multiply-twinned particles with decahedral and icosahedral point group symmetries has been examined and correlated with the face-centered cubic structure. Details on the crystal structure as well as the geometrical relationships among twins in each particle are presented. These crystallographic facts serve as a basis for the interpretation of small particle images obtained with advanced methods of transmission electron microscopy.

Intrinsic behavior of face-centered-cubic supra-crystals of nanocrystals self-organized on mesoscopic scale

NASA Astrophysics Data System (ADS)

Pileni, M. P.

2005-12-01

We describe intrinsic behavior due to the high ordering of nanocrystals at the mesoscopic scale. The first example shows well-defined columns in the formation of cobalt nanocrystals when an applied magnetic field is applied during the evaporation process. Collective breathing properties between nanocrystals are demonstrated. In both cases, these features are observed when the nanocrystals are highly ordered in fcc supra-crystals.

Phosphorylation of Ser136 is critical for potent bone sialoprotein-mediated nucleation of hydroxyapatite crystals.

PubMed

Baht, Gurpreet S; O'Young, Jason; Borovina, Antonia; Chen, Hong; Tye, Coralee E; Karttunen, Mikko; Lajoie, Gilles A; Hunter, Graeme K; Goldberg, Harvey A

2010-05-27

Acidic phosphoproteins of mineralized tissues such as bone and dentin are believed to play important roles in HA (hydroxyapatite) nucleation and growth. BSP (bone sialoprotein) is the most potent known nucleator of HA, an activity that is thought to be dependent on phosphorylation of the protein. The present study identifies the role phosphate groups play in mineral formation. Recombinant BSP and peptides corresponding to residues 1-100 and 133-205 of the rat sequence were phosphorylated with CK2 (protein kinase CK2). Phosphorylation increased the nucleating activity of BSP and BSP-(133-205), but not BSP-(1-100). MS analysis revealed that the major site phosphorylated within BSP-(133-205) was Ser136, a site adjacent to the series of contiguous glutamate residues previously implicated in HA nucleation. The critical role of phosphorylated Ser136 in HA nucleation was confirmed by site-directed mutagenesis and functional analyses. Furthermore, peptides corresponding to the 133-148 sequence of rat BSP were synthesized with or without a phosphate group on Ser136. As expected, the phosphopeptide was a more potent nucleator. The mechanism of nucleation was investigated using molecular-dynamics simulations analysing BSP-(133-148) interacting with the {100} crystal face of HA. Both phosphorylated and non-phosphorylated sequences adsorbed to HA in extended conformations with alternating residues in contact with and facing away from the crystal face. However, this alternating-residue pattern was more pronounced when Ser136 was phosphorylated. These studies demonstrate a critical role for Ser136 phosphorylation in BSP-mediated HA nucleation and identify a unique mode of interaction between the nucleating site of the protein and the {100} face of HA.

Cloning, expression, purification, crystallization and preliminary X-ray crystallographic investigations of a unique editing domain from archaebacteria.

PubMed

Dwivedi, Shweta; Kruparani, Shobha P; Sankaranarayanan, Rajan

2004-09-01

Threonyl-tRNA synthetase (ThrRS) faces a crucial double-discrimination problem during the translation of genetic code. Most ThrRSs from the archaeal kingdom possess a unique editing domain that differs from those of eubacteria and eukaryotes. In order to understand the structural basis of the editing mechanism in archaea, the editing module of ThrRS from Pyrococcus abyssi comprising of the first 183 amino-acid residues was cloned, expressed, purified and crystallized. The crystals belong to the trigonal space group P3(1(2))21, with one molecule in the asymmetric unit.

Measurement of single crystal surface parameters

NASA Technical Reports Server (NTRS)

Swanson, L. W.; Bell, A. E.; Strayer, R. W.

1972-01-01

The sticking coefficient and thermal desorption spectra of Cs from the (110) plane of W was investigated. A sticking coefficient of unity for the monolayer region was measured for T 250 K. Several distinct binding states were observed in the thermal desorption spectrum. Work function and electron reflection measurements were made on the (110) and (100) crystal faces of Mo. Both LEED and Auger were used to determine the orientation and cleanliness of the crystal surfaces. The work function values obtained for the (110) and (100) planes of Mo were 4.92 and 4.18 eV respectively.

Icosahedral stereographic projections in three dimensions for use in dark field TEM.

PubMed

Bourdillon, Antony J

2013-08-01

Thermodynamics require that rapidly cooled crystals and quasicrystals are relatively defective. Yet, without convenient 3-dimensional indexation both at crystal poles and in diffraction planes, or Kikuchi maps, it is difficult to identify the defects by dark field transmission electron microscopy. For two phase Al6Mn, these maps are derived. They relate i-Al6Mn to the standard face centered cubic, matrix crystals. An example of their usefulness in determining interfacial characteristics is described. Indices are integral powers on an irrational number. Copyright © 2013 Elsevier Ltd. All rights reserved.

Crystalline folliculitis revealed by non-aqueous staining technique.

PubMed

Siscos, Spyros Michael; Tran, Chi; Fischer, Ryan; Fraga, Garth

2017-07-15

Necrotizing infundibular crystalline folliculitis (NICF) is a rare superficial folliculitis characterized by expansive deposits of birefringent crystallized lipid. We report a case of NICF in a transplant patient presenting with folliculocentric acneiform papules across the lateral face and neck. Biopsy demonstrated intrafollicular crystalline deposits within an intact epidermis. Diagnostic crystals were identified using a non-aqueous histologic technique involving thick unstained sections. To our knowledge, this is the first report of NICF in a transplant patient. Our case suggests NICF is a follicular disorder and highlights a technique that may prevent loss of birefringent crystals and assist in facilitating accurate diagnosis.

Morphology and the Strength of Intermolecular Contact in Protein Crystals

NASA Technical Reports Server (NTRS)

Matsuura, Yoshiki; Chernov, Alexander A.

2002-01-01

The strengths of intermolecular contacts (macrobonds) in four lysozyme crystals were estimated based on the strengths of individual intermolecular interatomic interaction pairs. The periodic bond chain of these macrobonds accounts for the morphology of protein crystals as shown previously. Further in this paper, the surface area of contact, polar coordinate representation of contact site, Coulombic contribution on the macrobond strength, and the surface energy of the crystal have been evaluated. Comparing location of intermolecular contacts in different polymorphic crystal modifications, we show that these contacts can form a wide variety of patches on the molecular surface. The patches are located practically everywhere on this surface except for the concave active site. The contacts frequently include water molecules, with specific intermolecular hydrogen-bonds on the background of non-specific attractive interactions. The strengths of macrobonds are also compared to those of other protein complex systems. Making use of the contact strengths and taking into account bond hydration we also estimated crystal-water interfacial energies for different crystal faces.

Formation mechanism of fivefold deformation twins in a face-centered cubic alloy.

PubMed

Zhang, Zhenyu; Huang, Siling; Chen, Leilei; Zhu, Zhanwei; Guo, Dongming

2017-03-28

The formation mechanism considers fivefold deformation twins originating from the grain boundaries in a nanocrystalline material, resulting in that fivefold deformation twins derived from a single crystal have not been reported by molecular dynamics simulations. In this study, fivefold deformation twins are observed in a single crystal of face-centered cubic (fcc) alloy. A new formation mechanism is proposed for fivefold deformation twins in a single crystal. A partial dislocation is emitted from the incoherent twin boundaries (ITBs) with high energy, generating a stacking fault along {111} plane, and resulting in the nucleating and growing of a twin by the successive emission of partials. A node is fixed at the intersecting center of the four different slip {111} planes. With increasing stress under the indentation, ITBs come into being close to the node, leading to the emission of a partial from the node. This generates a stacking fault along a {111} plane, nucleating and growing a twin by the continuous emission of the partials. This process repeats until the formation of fivefold deformation twins.

Crystal structure and magnetic properties of Sr 4Mn 2NiO 9

NASA Astrophysics Data System (ADS)

El Abed, Ahmed; Gaudin, Etienne; Lemaux, Sylvain; Darriet, Jacques

2001-12-01

The crystal structure of Sr 4Mn 2NiO 9 has been refined on single crystal. This phase belongs to the series A 1+ x(A 'xB 1- x)O 3 ( x=1/3) related to the 2H-hexagonal perovskite. The structure contains transition metals in chains of oxide polyhedra (trigonal prisms and octahedra); neighboring chains are separated from each other by the Sr atoms. The sequence of the face sharing polyhedra along the chains is two octahedra + one trigonal prism. Mn occupies the octahedra and Ni is disordered in the trigonal prism with ≈80% in the pseudo square faces of the prism and ≈20% at the centre. This result has been confirmed by XANES experiments at Mn K and Ni K edges, respectively. Sr 4Mn 2NiO 9 is antiferromagnetic with a Néel temperature at T=3 K. The Curie constant measured at high temperature is in good agreement with ≈80% of the Ni 2+ ions in the spin state configuration S=0.

Formation mechanism of fivefold deformation twins in a face-centered cubic alloy

NASA Astrophysics Data System (ADS)

Zhang, Zhenyu; Huang, Siling; Chen, Leilei; Zhu, Zhanwei; Guo, Dongming

2017-03-01

The formation mechanism considers fivefold deformation twins originating from the grain boundaries in a nanocrystalline material, resulting in that fivefold deformation twins derived from a single crystal have not been reported by molecular dynamics simulations. In this study, fivefold deformation twins are observed in a single crystal of face-centered cubic (fcc) alloy. A new formation mechanism is proposed for fivefold deformation twins in a single crystal. A partial dislocation is emitted from the incoherent twin boundaries (ITBs) with high energy, generating a stacking fault along {111} plane, and resulting in the nucleating and growing of a twin by the successive emission of partials. A node is fixed at the intersecting center of the four different slip {111} planes. With increasing stress under the indentation, ITBs come into being close to the node, leading to the emission of a partial from the node. This generates a stacking fault along a {111} plane, nucleating and growing a twin by the continuous emission of the partials. This process repeats until the formation of fivefold deformation twins.

Additive-mediated electrochemical synthesis of platelike copper crystals for methanol electrooxidation.

PubMed

Venkatasubramanian, Rajesh; He, Jibao; Johnson, Michael W; Stern, Ilan; Kim, Dae Ho; Pesika, Noshir S

2013-10-29

A room-temperature electrochemical approach to synthesizing anisotropic platelike copper microcrystals and nanocrystals in the presence of potassium bromide is presented. Morphological and elemental characterization was performed using SEM, TEM, and XRD to confirm the anisotropic morphology and crystal structure of the synthesized copper particles. A possible mechanism for explaining the anisotropic crystal growth is proposed on the basis of the preferential adsorption of bromide ions to selective crystal faces. The shape-dependent electrocatalytic property of copper particles is demonstrated by its enhanced catalytic activity for methanol oxidation. Further development of such anisotropic copper particles localized on an electrode surface will lead us to find a suitable alternative for noble metal-based electrocatalysts for the methanol oxidation reaction relevant to fuel cells.

Epitaxial Growth of an Organic p-n Heterojunction: C60 on Single-Crystal Pentacene.

PubMed

Nakayama, Yasuo; Mizuno, Yuta; Hosokai, Takuya; Koganezawa, Tomoyuki; Tsuruta, Ryohei; Hinderhofer, Alexander; Gerlach, Alexander; Broch, Katharina; Belova, Valentina; Frank, Heiko; Yamamoto, Masayuki; Niederhausen, Jens; Glowatzki, Hendrik; Rabe, Jürgen P; Koch, Norbert; Ishii, Hisao; Schreiber, Frank; Ueno, Nobuo

2016-06-01

Designing molecular p-n heterojunction structures, i.e., electron donor-acceptor contacts, is one of the central challenges for further development of organic electronic devices. In the present study, a well-defined p-n heterojunction of two representative molecular semiconductors, pentacene and C60, formed on the single-crystal surface of pentacene is precisely investigated in terms of its growth behavior and crystallographic structure. C60 assembles into a (111)-oriented face-centered-cubic crystal structure with a specific epitaxial orientation on the (001) surface of the pentacene single crystal. The present experimental findings provide molecular scale insights into the formation mechanisms of the organic p-n heterojunction through an accurate structural analysis of the single-crystalline molecular contact.

Melt growth of organic 4-(2-Phenylisopropyl) phenol single crystal and its structural, thermal, dielectric permittivity and optical properties

NASA Astrophysics Data System (ADS)

Sadhasivam, S.; Rajesh, N. P.

2017-12-01

A nonlinear optical (NLO) organic crystal 4-(2-Phenylisopropyl) phenol has been grown by a top seeded melt growth technique. The melt growth kinetics of solid-liquid (molten) interface and facets formation in melt growth were studied. The melt grown crystal has the (001), (00 1 bar),(110)(1 bar 1 bar 0) ,(1 bar 20),(1 2 bar 0),(2 bar 10) and(2 1 bar 0) different morphological face. The morphological characteristics of melt grown crystal helps to better infer the kinetic influence of melt and hone growth of organic material. The rhombohedral lattice cell parameters were measured by single crystal X-ray diffraction. 4-(2-Phenylisopropyl) phenol crystallizes in space group of R 3 bar . Thermal study shows that solid to liquid transition occurring at 350 K and decomposes at 597 K. The grown crystal was optically transparent in the wavelength range of 300-1100 nm. The low dielectric constant (9-11) was measured in the [001] of 4-(2-Phenylisopropyl) phenol crystal.

Crystallization of Hard Sphere Colloids in Microgravity: Results of the Colloidal Disorder-Order Transition, CDOT on USML-2. Experiment 33

NASA Technical Reports Server (NTRS)

Zhu, Ji-Xiang; Chaikin, P. M.; Li, Min; Russel, W. B.; Ottewill, R. H.; Rogers, R.; Meyer, W. V.

1998-01-01

Classical hard spheres have long served as a paradigm for our understanding of the structure of liquids, crystals, and glasses and the transitions between these phases. Ground-based experiments have demonstrated that suspensions of uniform polymer colloids are near-ideal physical realizations of hard spheres. However, gravity appears to play a significant and unexpected role in the formation and structure of these colloidal crystals. In the microgravity environment of the Space Shuttle, crystals grow purely via random stacking of hexagonal close-packed planes, lacking any of the face-centered cubic (FCC) component evident in crystals grown in 1 g beyond melting and allowed some time to settle. Gravity also masks 33-539 the natural growth instabilities of the hard sphere crystals which exhibit striking dendritic arms when grown in microgravity. Finally, high volume fraction "glass" samples which fail to crystallize after more than a year in 1 g begin nucleation after several days and fully crystallize in less than 2 weeks on the Space Shuttle.

The investigation of stress in freestanding GaN crystals grown from Si substrates by HVPE.

PubMed

Lee, Moonsang; Mikulik, Dmitry; Yang, Mino; Park, Sungsoo

2017-08-17

We investigate the stress evolution of 400 µm-thick freestanding GaN crystals grown from Si substrates by hydride vapour phase epitaxy (HVPE) and the in situ removal of Si substrates. The stress generated in growing GaN can be tuned by varying the thickness of the MOCVD AlGaN/AlN buffer layers. Micro Raman analysis shows the presence of slight tensile stress in the freestanding GaN crystals and no stress accumulation in HVPE GaN layers during the growth. Additionally, it is demonstrated that the residual tensile stress in HVPE GaN is caused only by elastic stress arising from the crystal quality difference between Ga- and N-face GaN. TEM analysis revealed that the dislocations in freestanding GaN crystals have high inclination angles that are attributed to the stress relaxation of the crystals. We believe that the understanding and characterization on the structural properties of the freestanding GaN crystals will help us to use these crystals for high-performance opto-electronic devices.

LiCoO2 Concaved Cuboctahedrons from Symmetry-Controlled Topological Reactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, H.; Wu, L.; Zhang, L.

2011-01-19

Morphology control of functional materials is generally performed by controlling the growth rates on selected orientations or faces. Here, we control particle morphology by 'crystal templating': by choosing appropriate precursor crystals and reaction conditions, we demonstrate that a material with rhombohedral symmetry - namely the layered, positive electrode material, LiCoO{sub 2} - can grow to form a quadruple-twinned crystal with overall cubic symmetry. The twinned crystals show an unusual, concaved-cuboctahedron morphology, with uniform particle sizes of 0.5-2 {micro}m. On the basis of a range of synthetic and analytical experiments, including solid-state NMR, X-ray powder diffraction analysis and HRTEM, we proposemore » that these twinned crystals form via selective dissolution and an ion-exchange reaction accompanied by oxidation of a parent crystal of CoO, a material with cubic symmetry. This template crystal serves to nucleate the growth of four LiCoO{sub 2} twin crystals and to convert a highly anisotropic, layered material into a pseudo-3-dimensional, isotropic material.« less

Accumulated distribution of material gain at dislocation crystal growth

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rakin, V. I., E-mail: rakin@geo.komisc.ru

2016-05-15

A model for slowing down the tangential growth rate of an elementary step at dislocation crystal growth is proposed based on the exponential law of impurity particle distribution over adsorption energy. It is established that the statistical distribution of material gain on structurally equivalent faces obeys the Erlang law. The Erlang distribution is proposed to be used to calculate the occurrence rates of morphological combinatorial types of polyhedra, presenting real simple crystallographic forms.

Structural building principles of complex face-centered cubic intermetallics.

PubMed

Dshemuchadse, Julia; Jung, Daniel Y; Steurer, Walter

2011-08-01

Fundamental structural building principles are discussed for all 56 known intermetallic phases with approximately 400 or more atoms per unit cell and space-group symmetry F43m, Fd3m, Fd3, Fm3m or Fm3c. Despite fundamental differences in chemical composition, bonding and electronic band structure, their complex crystal structures show striking similarities indicating common building principles. We demonstrate that the structure-determining elements are flat and puckered atomic {110} layers stacked with periodicities 2p. The atoms on this set of layers, which intersect each other, form pentagon face-sharing endohedral fullerene-like clusters arranged in a face-centered cubic packing (f.c.c.). Due to their topological layer structure, all these crystal structures can be described as (p × p × p) = p(3)-fold superstructures of a common basic structure of the double-diamond type. The parameter p, with p = 3, 4, 7 or 11, is determined by the number of layers per repeat unit and the type of cluster packing, which in turn are controlled by chemical composition.

Electro-optic device with gap-coupled electrode

DOEpatents

Deri, Robert J.; Rhodes, Mark A.; Bayramian, Andrew J.; Caird, John A.; Henesian, Mark A.; Ebbers, Christopher A.

2013-08-20

An electro-optic device includes an electro-optic crystal having a predetermined thickness, a first face and a second face. The electro-optic device also includes a first electrode substrate disposed opposing the first face. The first electrode substrate includes a first substrate material having a first thickness and a first electrode coating coupled to the first substrate material. The electro-optic device further includes a second electrode substrate disposed opposing the second face. The second electrode substrate includes a second substrate material having a second thickness and a second electrode coating coupled to the second substrate material. The electro-optic device additionally includes a voltage source electrically coupled to the first electrode coating and the second electrode coating.

Organic crystalline films for optical applications and related methods of fabrication

NASA Technical Reports Server (NTRS)

Leyderman, Alexander (Inventor)

2001-01-01

A method for forming an optical device includes the steps of providing a first plate having a first face defining a recess, filling the recess with a material which can be crystallized, and covering the first face and the recess with a second plate having a second face, so that the second face is in contact with the first face and the material in the recess is completely enclosed by the first and second plates. The material in the recess is thereby protected from chemical and mechanical damage, as well as evaporation. In addition, the plates can be transparent, allowing the material in the recess to be visually monitored. A grown crystalline film packed in the cell can be used as a non-liner and/or electro-optical device.

Alpha-enolase on apical surface of renal tubular epithelial cells serves as a calcium oxalate crystal receptor

NASA Astrophysics Data System (ADS)

Fong-Ngern, Kedsarin; Thongboonkerd, Visith

2016-10-01

To search for a strategy to prevent kidney stone formation/recurrence, this study addressed the role of α-enolase on apical membrane of renal tubular cells in mediating calcium oxalate monohydrate (COM) crystal adhesion. Its presence on apical membrane and in COM crystal-bound fraction was confirmed by Western blotting and immunofluorescence staining. Pretreating MDCK cells with anti-α-enolase antibody, not isotype-controlled IgG, dramatically reduced cell-crystal adhesion. Immunofluorescence staining also confirmed the direct binding of purified α-enolase to COM crystals at {121} > {100} > {010} crystal faces. Coating COM crystals with urinary proteins diminished the crystal binding capacity to cells and purified α-enolase. Moreover, α-enolase selectively bound to COM, not other crystals. Chemico-protein interactions analysis revealed that α-enolase interacted directly with Ca2+ and Mg2+. Incubating the cells with Mg2+ prior to cell-crystal adhesion assay significantly reduced crystal binding on the cell surface, whereas preincubation with EDTA, a divalent cation chelator, completely abolished Mg2+ effect, indicating that COM and Mg2+ competitively bind to α-enolase. Taken together, we successfully confirmed the role of α-enolase as a COM crystal receptor to mediate COM crystal adhesion at apical membrane of renal tubular cells. It may also serve as a target for stone prevention by blocking cell-crystal adhesion and stone nidus formation.

Measurements of Trace Gases Using a Tunable Diode Laser

NASA Technical Reports Server (NTRS)

Jost, Hans-Juerg

2005-01-01

This report is the final report for "Measurements of Trace Gases Using a Tunable Diode Laser." The tasks outlined in the proposal are listed below with a brief comment. The publications and the conference presentations are listed. Finally, the important publications are attached. The Cooperative Agreement made possible a research effort to produce high- precision and high-accuracy in-situ measurements of carbon monoxide, methane and nitrous oxide on the WB-57 during the CRYSTAL-FACE and pre-AVE field campaigns and to analyze these measurements. These measurements of CO and CH4 were of utmost importance to studies of the radiative effects of clouds. Some important results of the CRYSTAL-FACE program were contained in two scientific papers (attached). This Cooperative Agreement allowed the participation of the Argus instrument in the program and the analysis of the data.

A structural analysis of small vapor-deposited 'multiply twinned' gold particles

NASA Technical Reports Server (NTRS)

Yang, C. Y.; Heinemann, K.; Yacaman, M. J.; Poppa, H.

1979-01-01

High resolution selected zone dark field, Bragg reflection imaging and weak beam dark field techniques of transmission electron microscopy were used to determine the structure of small gold particles vapor deposited on NaCl substrates. Attention was focused on the analysis of those particles in the 50-150 A range that have pentagonal or hexagonal bright field profiles. These particles have been previously described as multiply twinned crystallites composed of face-centered cubic tetrahedra. The experimental evidence of the present studies can be interpreted on the assumption that the particle structure is a regular icosahedron or decahedron for the hexagonal or the pentagonal particles respectively. The icosahedron is a multiply twinned rhombohedral crystal and the decahedron is a multiply twinned body-centered orthorhombic crystal, each of which constitutes a slight distortion from the face-centered cubic structure.

Cirrus Simulations of CRYSTAL-FACE 23 July 2002 Case

NASA Technical Reports Server (NTRS)

Starr, David; Lin, Ruci-Fong; Demoz, Belay; Lare, Andrew

2004-01-01

A key objective of the Cirrus Regional Study of Tropical Anvils and Cirrus Layers - Florida Area Cirrus Experiment (CRYSTAL-FACE) is to understand relationships between the properties of tropical convective cloud systems and the properties and lifecycle of the extended cirrus anvils they produce. We report here on a case study of 23 July 2002 where a sequence of convective storms over central Florida produced an extensive anvil outflow. Our approach is to use a suitably-initialized cloud-system simulation with MM5 to define initial conditions and time-dependent forcing for a simulation of anvil evolution using a two-dimensional fine-resolution (100 m) cirrus cloud model that explicitly accounts for details of cirrus microphysical development (bin or spectra model) and fully interactive radiative processes. The cirrus model follows Lin. Meteorological conditions and observations for the 23 July case are described in this volume. The goals of the present study are to evaluate how well we can simulate a cirrus anvil lifecycle, to evaluate the importance of various physical processes that operate within the anvil, and to evaluate the importance of environmental conditions in regulating anvil lifecycle. CRYSTAL-FACE produced a number of excellent case studies of anvil systems that will allow environmental factors, such as static stability or wind shear in the upper troposphere, to be examined. In the present study, we strive to assess the importance of propagating gravity waves, likely produced by the deep convection itself, and radiative processes, to anvil lifecycle and characteristics.

Correlation between impurity distribution and location of ferroelectric domain walls in Nd : Mg : LiNbO 3 single crystal

NASA Astrophysics Data System (ADS)

Naumova, I. I.; Evlanova, N. F.; Blokhin, S. A.; Lavrishchev, S. V.

1998-04-01

Using selective chemical etching, scanning electron microscope (SEM) and wave dispersive X-ray (WDX) microanalysis we showed that the ferroelectric domain walls coincide with the maxima and minima Nd-impurity modulation in a periodically poled Nd : Mg : LiNbO 3 crystal grown by the Czochralski method along the normal to the (0 1 1¯ 2) face. Asymmetric form of the Nd-modulation produces nonequal positive and negative domains for one period. Variations of instantaneous rate of growth were estimated for facet and nonfacet crystal region in the framework of Burton-Prim-Slichter theory.

Quartz dissolution. I - Negative crystal experiments and a rate law. II - Theory of rough and smooth surfaces

NASA Technical Reports Server (NTRS)

Gratz, Andrew J.; Bird, Peter

1993-01-01

The range of the measured quartz dissolution rates, as a function of temperature and pOH, extent of saturation, and ionic strength, is extended to cover a wider range of solution chemistries, using the negative crystal methodology of Gratz et al. (1990) to measure the dissolution rate. A simple rate law describing the quartz dissolution kinetics above the point of zero charge of quartz is derived for ionic strengths above 0.003 m. Measurements were performed on some defective crystals, and the mathematics of step motion was developed for quartz dissolution and was compared with rough-face behavior using two different models.

The diagram of phase-field crystal structures: an influence of model parameters in a two-mode approximation

NASA Astrophysics Data System (ADS)

Ankudinov, V.; Galenko, P. K.

2017-04-01

Effect of phase-field crystal model (PFC-model) parameters on the structure diagram is analyzed. The PFC-model is taken in a two-mode approximation and the construction of structure diagram follows from the free energy minimization and Maxwell thermodynamic rule. The diagram of structure’s coexistence for three dimensional crystal structures [Body-Centered-Cubic (BCC), Face-Centered-Cubic (FCC) and homogeneous structures] are constructed. An influence of the model parameters, including the stability parameters, are discussed. A question about the structure diagram construction using the two-mode PFC-model with the application to real materials is established.

Gallium nitride optoelectronic devices

NASA Technical Reports Server (NTRS)

Chu, T. L.; Chu, S. S.

1972-01-01

The growth of bulk gallium nitride crystals was achieved by the ammonolysis of gallium monochloride. Gallium nitride single crystals up to 2.5 x 0.5 cm in size were produced. The crystals are suitable as substrates for the epitaxial growth of gallium nitride. The epitaxial growth of gallium nitride on sapphire substrates with main faces of (0001) and (1T02) orientations was achieved by the ammonolysis of gallium monochloride in a gas flow system. The grown layers had electron concentrations in the range of 1 to 3 x 10 to the 19th power/cu cm and Hall mobilities in the range of 50 to 100 sq cm/v/sec at room temperature.

Steps wandering on the lysozyme and KDP crystals during growth in solution

NASA Astrophysics Data System (ADS)

Rashkovich, L. N.; Chernevich, T. G.; Gvozdev, N. V.; Shustin, O. A.; Yaminsky, I. V.

2001-10-01

We have applied atomic force microscopy for the study in solution of time evolution of step roughness on the crystal faces with high (pottasium dihydrophosphate: KDP) and low (lysozyme) density of kinks. It was found that the roughness increases with time revealing the time dependence as t1/4. Step velocity does not depend upon distance between steps, that is why the experimental data were interpreted on the basis of Voronkov theory, which assume, that the attachment and detachment of building units in the kinks is major limitation for crystal growth. In the frame of this theoretical model the calculation of material parameters is performed.

Deep Space Detection of Oriented Ice Crystals

NASA Astrophysics Data System (ADS)

Marshak, A.; Varnai, T.; Kostinski, A. B.

2017-12-01

The deep space climate observatory (DSCOVR) spacecraft resides at the first Lagrangian point about one million miles from Earth. A polychromatic imaging camera onboard delivers nearly hourly observations of the entire sun-lit face of the Earth. Many images contain unexpected bright flashes of light over both ocean and land. We constructed a yearlong time series of flash latitudes, scattering angles and oxygen absorption to demonstrate conclusively that the flashes over land are specular reflections off tiny ice crystals floating in the air nearly horizontally. Such deep space detection of tropospheric ice can be used to constrain the likelihood of oriented crystals and their contribution to Earth albedo.

A generalized crystal-cutting method for modeling arbitrarily oriented crystals in 3D periodic simulation cells with applications to crystal-crystal interfaces

NASA Astrophysics Data System (ADS)

Kroonblawd, Matthew P.; Mathew, Nithin; Jiang, Shan; Sewell, Thomas D.

2016-10-01

A Generalized Crystal-Cutting Method (GCCM) is developed that automates construction of three-dimensionally periodic simulation cells containing arbitrarily oriented single crystals and thin films, two-dimensionally (2D) infinite crystal-crystal homophase and heterophase interfaces, and nanostructures with intrinsic N-fold interfaces. The GCCM is based on a simple mathematical formalism that facilitates easy definition of constraints on cut crystal geometries. The method preserves the translational symmetry of all Bravais lattices and thus can be applied to any crystal described by such a lattice including complicated, low-symmetry molecular crystals. Implementations are presented with carefully articulated combinations of loop searches and constraints that drastically reduce computational complexity compared to simple loop searches. Orthorhombic representations of monoclinic and triclinic crystals found using the GCCM overcome some limitations in standard distributions of popular molecular dynamics software packages. Stability of grain boundaries in β-HMX was investigated using molecular dynamics and molecular statics simulations with 2D infinite crystal-crystal homophase interfaces created using the GCCM. The order of stabilities for the four grain boundaries studied is predicted to correlate with the relative prominence of particular crystal faces in lab-grown β-HMX crystals. We demonstrate how nanostructures can be constructed through simple constraints applied in the GCCM framework. Example GCCM constructions are shown that are relevant to some current problems in materials science, including shock sensitivity of explosives, layered electronic devices, and pharmaceuticals.

Transparent electrode for optical switch

DOEpatents

Goldhar, Julius; Henesian, Mark A.

1986-01-01

A low pressure gas electrode utilizing ionized gas in a glow discharge regime forms a transparent electrode for electro-optical switches. The transparent electrode comprises a low pressure gas region on both sides of the crystal. When the gas is ionized, e.g., by a glow discharge in the low pressure gas, the plasma formed is a good conductor. The gas electrode acts as a highly uniform conducting electrode. Since the plasma is transparent to a high energy laser beam passing through the crystal, the electrode is a transparent electrode. A crystal exposed from two sides to such a plasma can be charged up uniformly to any desired voltage. The plasma can be created either by the main high voltage pulser used to charge up the crystal or by auxiliary discharges or external sources of ionization. A typical configuration utilizes 10 torr argon in the discharge region adjacent to each crystal face.

Ab initio study of structural and mechanical property of solid molecular hydrogens

NASA Astrophysics Data System (ADS)

Ye, Yingting; Yang, Li; Yang, Tianle; Nie, Jinlan; Peng, Shuming; Long, Xinggui; Zu, Xiaotao; Du, Jincheng

2015-06-01

Ab initio calculations based on density functional theory (DFT) were performed to investigate the structural and the elastic properties of solid molecular hydrogens (H2). The influence of molecular axes of H2 on structural relative stabilities of hexagonal close-packed (hcp) and face-centered cubic (fcc) structured hydrogen molecular crystals were systematically investigated. Our results indicate that for hcp structures, disordered hydrogen molecule structure is more stable, while for fcc structures, Pa3 hydrogen molecular crystal is most stable. The cohesive energy of fcc H2 crystal was found to be lower than hcp. The mechanical properties of fcc and hcp hydrogen molecular crystals were obtained, with results consistent with previous theoretical calculations. In addition, the effects of zero point energy (ZPE) and van der Waals (vdW) correction on the cohesive energy and the stability of hydrogen molecular crystals were systematically studied and discussed.

Two-dimensional and three-dimensional evaluation of the deformation relief

NASA Astrophysics Data System (ADS)

Alfyorova, E. A.; Lychagin, D. V.

2017-12-01

This work presents the experimental results concerning the research of the morphology of the face-centered cubic single crystal surface after compression deformation. Our aim is to identify the method of forming a quasiperiodic profile of single crystals with different crystal geometrical orientation and quantitative description of deformation structures. A set of modern methods such as optical and confocal microscopy is applied to determine the morphology of surface parameters. The results show that octahedral slip is an integral part of the formation of the quasiperiodic profile surface starting with initial strain. The similarity of the formation process of the surface profile at different scale levels is given. The size of consistent deformation regions is found. This is 45 µm for slip lines ([001]-single crystal) and 30 µm for mesobands ([110]-single crystal). The possibility of using two- and three-dimensional roughness parameters to describe the deformation structures was shown.

Optical characterization of a low solubility organic compound.

PubMed

Huber, H E

1981-10-01

The X, Y, and Z principal vibration directions along with the principal refractive indexes, optic angle, optical sign, birefringence, optical orientation, and crystal system for the low solubility compound 5-(tetradecyloxy)-2-furancarboxylic acid were determined with a polarizing microscope and spindle stage. The X and Z principal vibration directions are not coincident with the a and c crystallographic axes; however, the Y direction is considered to be coincident with the b axis. Therefore, the crystal is assigned to the monoclinic crystal system. The bladed/lath-shaped crystals rest on one of the two large orthopinacoid (100) faces and present the microscopist with a single plane of optical symmetry. A beta refractive index of 1.555 is observed with the crystal axis of elongation parallel to the polarizer, and a gamma of 1.600-1.660 is observed in the contiguous extinction position. Determination of the optic angle principal vibration directions, and principal refractive indexes was facilitated by mounting the crystals on a spindle stage for rotation about the b crystallographic axis (optic normal).

Molecular insights into the heterogeneous crystal growth of si methane hydrate.

PubMed

Vatamanu, Jenel; Kusalik, Peter G

2006-08-17

In this paper we report a successful molecular simulation study exploring the heterogeneous crystal growth of sI methane hydrate along its [001] crystallographic face. The molecular modeling of the crystal growth of methane hydrate has proven in the past to be very challenging, and a reasonable framework to overcome the difficulties related to the simulation of such systems is presented. Both the microscopic mechanisms of heterogeneous crystal growth as well as interfacial properties of methane hydrate are probed. In the presence of the appropriate crystal template, a strong tendency for water molecules to organize into cages around methane at the growing interface is observed; the interface also demonstrates a strong affinity for methane molecules. The maximum growth rate measured for a hydrate crystal is about 4 times higher than the value previously determined for ice I in a similar framework (Gulam Razul, M. S.; Hendry, J. G.; Kusalik, P. G. J. Chem. Phys. 2005, 123, 204722).

Optical chirality of achiral three-dimensional photonic crystals

NASA Astrophysics Data System (ADS)

Romanov, Sergei G.

2017-04-01

Extrinsic optical chirality in a form of the asymmetric transmission of circularly polarized light at the oblique light incidence has been observed in three-dimensional opal photonic crystals assembled from monodisperse polymer spheres in the closely packed face-centered-cubic lattice. This effect has been assigned to the translation-rotation symmetry of the lattice. The cross-polarization conversion of the circularly polarized light and the related asymmetry of the transmission of the inverted circularly polarized light have been demonstrated.

Crystal Structural Effect of AuCu Alloy Nanoparticles on Catalytic CO Oxidation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhan, Wangcheng; Wang, Jinglin; Wang, Haifeng

2017-06-07

Controlling the physical and chemical properties of alloy nanoparticles (NPs) is an important approach to optimize NP catalysis. Unlike other tuning knobs, such as size, shape, and composition, crystal structure has received limited attention and not been well understood for its role in catalysis. This deficiency is mainly due to the difficulty in synthesis and fine-tuning of the NPs’ crystal structure. Here, Exemplifying by AuCu alloy NPs with face centered cubic (fcc) and face centered tetragonal (fct) structure, we demonstrate a remarkable difference in phase segregation and catalytic performance depending on the crystal structure. During the thermal treatment in air,more » the Cu component in fcc-AuCu alloy NPs segregates more easily onto the alloy surface as compared to that in fct-AuCu alloy NPs. As a result, after annealing at 250 °C in air for 1 h, the fcc- and fct-AuCu alloy NPs are phase transferred into Au/CuO and AuCu/CuO core/shell structures, respectively. More importantly, this variation in heterostructures introduces a significant difference in CO adsorption on two catalysts, leading to a largely enhanced catalytic activity of AuCu/CuO NP catalyst for CO oxidation. Furthermore, the same concept can be extended to other alloy NPs, making it possible to fine-tune NP catalysis for many different chemical reactions.« less

Discovery of a diamond-based photonic crystal structure in beetle scales.

PubMed

Galusha, Jeremy W; Richey, Lauren R; Gardner, John S; Cha, Jennifer N; Bartl, Michael H

2008-05-01

We investigated the photonic crystal structure inside iridescent scales of the weevil Lamprocyphus augustus. By combining a high-resolution structure analysis technique based on sequential focused ion beam milling and scanning electron microscopy imaging with theoretical modeling and photonic band-structure calculations, we discovered a natural three-dimensional photonic structure with a diamond-based crystal lattice operating at visible wavelengths. Moreover, we found that within individual scales, the diamond-based structure is assembled in the form of differently oriented single-crystalline micrometer-sized pixels with only selected lattice planes facing the scales' top surface. A comparison of results obtained from optical microreflectance measurements with photonic band-structure calculations reveals that it is this sophisticated microassembly of the diamond-based crystal lattice that lends Lamprocyphus augustus its macroscopically near angle-independent green coloration.

Gypsum crystallization from cadmium-poisoned solutions

NASA Astrophysics Data System (ADS)

Rinaudo, C.; Franchini-Angela, M.; Boistelle, R.

1988-06-01

Gypsum crystals, CaSO4⋯2H2O, are grown from solutions containing large amounts of cadmium chloride as an impurity. The initial supersaturations necessary for the gypsum nucleation increase with increasing cadmium concentration. Accordingly, at constant initial supersaturation, the induction periods also increase with increasing cadmium concentration. Cadmium and chlorine are incorporated into the crystals probably as CdCl+ or CdCl2, which are the most abundant complexes in the solutions. Consequently, the gypsum crystals grow curved, distorted and exhibit fractures along the [100] direction. The amount of incorporated cadmium increases with increasing supersaturation. Cadmium is mainly detected near the {120} faces in the area where the fractures release the internal stresses. Supersaturation and concentration of free ions and complexes are calculated for all solutions. Adsorption on {120} is discussed.

Cylindrically symmetric Green's function approach for modeling the crystal growth morphology of ice.

PubMed

Libbrecht, K G

1999-08-01

We describe a front-tracking Green's function approach to modeling cylindrically symmetric crystal growth. This method is simple to implement, and with little computer power can adequately model a wide range of physical situations. We apply the method to modeling the hexagonal prism growth of ice crystals, which is governed primarily by diffusion along with anisotropic surface kinetic processes. From ice crystal growth observations in air, we derive measurements of the kinetic growth coefficients for the basal and prism faces as a function of temperature, for supersaturations near the water saturation level. These measurements are interpreted in the context of a model for the nucleation and growth of ice, in which the growth dynamics are dominated by the structure of a disordered layer on the ice surfaces.

Sodium chloride crystallization from thin liquid sheets, thick layers, and sessile drops in microgravity

NASA Astrophysics Data System (ADS)

Fontana, Pietro; Pettit, Donald; Cristoforetti, Samantha

2015-10-01

Crystallization from aqueous sodium chloride solutions as thin liquid sheets, 0.2-0.7 mm thick, with two free surfaces supported by a wire frame, thick liquid layers, 4-6 mm thick, with two free surfaces supported by metal frame, and hemispherical sessile drops, 20-32 mm diameter, supported by a flat polycarbonate surface or an initially flat gelatin film, were carried out under microgravity on the International Space Station (ISS). Different crystal morphologies resulted based on the fluid geometry: tabular hoppers, hopper cubes, circular [111]-oriented crystals, and dendrites. The addition of polyethylene glycol (PEG-3350) inhibited the hopper growth resulting in flat-faced surfaces. In sessile drops, 1-4 mm tabular hopper crystals formed on the free surface and moved to the fixed contact line at the support (polycarbonate or gelatin) self-assembling into a shell. Ring formation created by sessile drop evaporation to dryness was observed but with crystals 100 times larger than particles in terrestrially formed coffee rings. No hopper pyramids formed. By choosing solution geometries offered by microgravity, we found it was possible to selectively grow crystals of preferred morphologies.

High-pulse-energy mode-locked picosecond oscillator

NASA Astrophysics Data System (ADS)

Chao, Yang; Chen, Meng; Li, Gang

2014-02-01

We report on a high-pulse-energy solid-state picosecond Nd:YVO4 oscillator with cavity-dumping. The laser is end-pumped by an 808 nm laser diode and passively mode-locked with a semiconductor saturable absorption mirror (SESAM). In pure cw-mode-locking, this laser produced 2.5 W of average power at a pulse repetition rate of 40 MHz and pulse duration around 12 ps. A cavity dumping technique using an intra-cavity BBO electro-optic crystal to which bidirectional voltage was applied was adopted, effectively improving the cavity-dumping rate. Tunable high repetition rate from 100 kHz to 1 MHz was achieved. With electro-optic cavity dumper working at 1 MHz repetition rate, we achieved average power 594 mW. The laser includes a 5 mm long, a-cut, 0.5% doped Nd:YVO4 crystal with a 5-degree angle at one end face. Laser radiation is coupled out from the crystal end face with a 5-degree angle, without requiring insertion of a thin-film polarizer (TFP), thus simplifying the laser structure. This picosecond laser system has the advantages of compact structure and high stability, providing a good oscillator for regenerative amplifiers.

Probing Zeolite Crystal Architecture and Structural Imperfections using Differently Sized Fluorescent Organic Probe Molecules.

PubMed

Hendriks, Frank C; Schmidt, Joel E; Rombouts, Jeroen A; Lammertsma, Koop; Bruijnincx, Pieter C A; Weckhuysen, Bert M

2017-05-05

A micro-spectroscopic method has been developed to probe the accessibility of zeolite crystals using a series of fluorescent 4-(4-diethylaminostyryl)-1-methylpyridinium iodide (DAMPI) probes of increasing molecular size. Staining large zeolite crystals with MFI (ZSM-5) topology and subsequent mapping of the resulting fluorescence using confocal fluorescence microscopy reveal differences in structural integrity: the 90° intergrowth sections of MFI crystals are prone to develop structural imperfections, which act as entrance routes for the probes into the zeolite crystal. Polarization-dependent measurements provide evidence for the probe molecule's alignment within the MFI zeolite pore system. The developed method was extended to BEA (Beta) crystals, showing that the previously observed hourglass pattern is a general feature of BEA crystals with this morphology. Furthermore, the probes can accurately identify at which crystal faces of BEA straight or sinusoidal pores open to the surface. The results show this method can spatially resolve the architecture-dependent internal pore structure of microporous materials, which is difficult to assess using other characterization techniques such as X-ray diffraction. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Large-scale recrystallization of the S-layer of Bacillus coagulans E38-66 at the air/water interface and on lipid films.

PubMed Central

Pum, D; Weinhandl, M; Hödl, C; Sleytr, U B

1993-01-01

S-layer protein isolated from Bacillus coagulans E38-66 could be recrystallized into large-scale coherent monolayers at an air/water interface and on phospholipid films spread on a Langmuir-Blodgett trough. Because of the asymmetry in the physiochemical surface properties of the S-layer protein, the subunits were associated with their more hydrophobic outer face with the air/water interface and oriented with their negatively charged inner face to the zwitterionic head groups of the dipalmitoylphosphatidylcholine and dipalmitoylphosphatidylethanolamine (DPPE) monolayer films. The dynamic crystal growth at both types of interfaces was first initiated at several distant nucleation points. The individual monocrystalline areas grew isotropically in all directions until the front edge of neighboring crystals was met. The recrystallized S-layer protein and the S-layer-DPPE layer could be chemically cross-linked from the subphase with glutaraldehyde. Images PMID:8478338

MODIS Cloud Products Derived from Terra and Aqua During CRYSTAL-FACE

NASA Technical Reports Server (NTRS)

King, Michael D.; Platnick, S.; Riedi, J. C.; Ackerman, S. A.; Menzel, W. P.

2003-01-01

The Moderate Resolution Imaging Spectroradiometer (MODIS), developed as part of the Earth Observing System (EOS) and launched on Terra in December 1999 and Aqua in May 2002, is designed to meet the scientific needs for satellite remote sensing of clouds, aerosols, water vapor, and land and ocean surface properties. During the CRYSTAL-FACE experiment, numerous aircraft coordinated both in situ and remote sensing observations with the Terra and Aqua spacecraft. In this paper we will emphasize the optical, microphysical, and physical properties of both liquid water and ice clouds obtained from an analysis of the satellite observations over Florida and the Gulf of Mexico during July 2002. We will present the frequency distribution of liquid water and ice cloud microphysical properties throughout the region, separating the results over land and ocean. Probability distributions of effective radius and cloud optical thickness will also be shown.

Method for making circular tubular channels with two silicon wafers

DOEpatents

Yu, Conrad M.; Hui, Wing C.

1996-01-01

A two-wafer microcapillary structure is fabricated by depositing boron nitride (BN) or silicon nitride (Si.sub.3 N.sub.4) on two separate silicon wafers (e.g., crystal-plane silicon with [100] or [110] crystal orientation). Photolithography is used with a photoresist to create exposed areas in the deposition for plasma etching. A slit entry through to the silicon is created along the path desired for the ultimate microcapillary. Acetone is used to remove the photoresist. An isotropic etch, e.g., such as HF/HNO.sub.3 /CH.sub.3 COOH, then erodes away the silicon through the trench opening in the deposition layer. A channel with a half-circular cross section is then formed in the silicon along the line of the trench in the deposition layer. Wet etching is then used to remove the deposition layer. The two silicon wafers are aligned and then bonded together face-to-face to complete the microcapillary.

Crystal structures of 6-chloro­indan-1-one and 6-bromo­indan-1-one exhibit different inter­molecular packing inter­actions

PubMed Central

Caruso, Alessio; Blair, Benjamin; Tanski, Joseph M.

2016-01-01

The two title compounds are analogs of 1-indanone that are substituted at the 6-position with chlorine and bromine. Although very similar in mol­ecular structure, the crystal structures are not isomorphous and reveal that 6-chloro­indan-1-one, C9H7ClO (I), and 6-bromo­indan-1-one, C9H7BrO (II), exhibit unique inter­molecular packing motifs. The mol­ecules of the chloro analog (I) pack with a herringbone packing motif of C—H⋯O inter­actions, whereas the bromo derivative (II) packs with offset face-to-face π-stacking, C—H⋯O, C—H⋯Br and Br⋯O inter­actions. Compound (II) was refined as a two-component non-merohedral twin, BASF 0.0762 (5). PMID:27840702

Structure and energetics of high index Fe, Al, Cu and Ni surfaces using equivalent crystal theory

NASA Technical Reports Server (NTRS)

Rodriguez, Agustin M.; Bozzolo, Guillermo; Ferrante, John

1993-01-01

Equivalent crystal theory (ECT) is applied to the study of multilayer relaxations and surface energies of high-index faces of Fe, Al, Ni, and Cu. Changes in interplanar spacing as well as registry of planes close to the surface and the ensuing surface energies changes are discussed in reference to available experimental data and other theoretical calculations. Since ECT is a semiempirical method, the dependence of the results on the variation of the input used was investigated.

Real-Time Very High-Resolution Regional 4D Assimilation in Supporting CRYSTAL-FACE Experiment

NASA Technical Reports Server (NTRS)

Wang, Donghai; Minnis, Patrick

2004-01-01

To better understand tropical cirrus cloud physical properties and formation processes with a view toward the successful modeling of the Earth's climate, the CRYSTAL-FACE (Cirrus Regional Study of Tropical Anvils and Cirrus Layers - Florida Area Cirrus Experiment) field experiment took place over southern Florida from 1 July to 29 July 2002. During the entire field campaign, a very high-resolution numerical weather prediction (NWP) and assimilation system was performed in support of the mission with supercomputing resources provided by NASA Center for Computational Sciences (NCCS). By using NOAA NCEP Eta forecast for boundary conditions and as a first guess for initial conditions assimilated with all available observations, two nested 15/3 km grids are employed over the CRYSTAL-FACE experiment area. The 15-km grid covers the southeast US domain, and is run two times daily for a 36-hour forecast starting at 0000 UTC and 1200 UTC. The nested 3-km grid covering only southern Florida is used for 9-hour and 18-hour forecasts starting at 1500 and 0600 UTC, respectively. The forecasting system provided more accurate and higher spatial and temporal resolution forecasts of 4-D atmospheric fields over the experiment area than available from standard weather forecast models. These forecasts were essential for flight planning during both the afternoon prior to a flight day and the morning of a flight day. The forecasts were used to help decide takeoff times and the most optimal flight areas for accomplishing the mission objectives. See more detailed products on the web site http://asd-www.larc.nasa.gov/mode/crystal. The model/assimilation output gridded data are archived on the NASA Center for Computational Sciences (NCCS) UniTree system in the HDF format at 30-min intervals for real-time forecasts or 5-min intervals for the post-mission case studies. Particularly, the data set includes the 3-D cloud fields (cloud liquid water, rain water, cloud ice, snow and graupe/hail).

Point of zero potential of single-crystal electrode/inert electrolyte interface.

PubMed

Zarzycki, Piotr; Preočanin, Tajana

2012-03-15

Most of the environmentally important processes occur at the specific hydrated mineral faces. Their rates and mechanisms are in part controlled by the interfacial electrostatics, which can be quantitatively described by the point of zero potential (PZP). Unfortunately, the PZP value of specific crystal face is very difficult to be experimentally determined. Here we show that PZP can be extracted from a single-crystal electrode potentiometric titration, assuming the stable electrochemical cell resistivity and lack of specific electrolyte ions sorption. Our method is based on determining a common intersection point of the electrochemical cell electromotive force at various ionic strengths, and it is illustrated for a few selected surfaces of rutile, hematite, silver chloride, and bromide monocrystals. In the case of metal oxides, we have observed the higher PZP values than those theoretically predicted using the MultiSite Complexation Model (MUSIC), that is, 8.4 for (001) hematite (MUSIC-predicted ~6), 8.7 for (110) rutile (MUSIC-predicted ~6), and about 7 for (001) rutile (MUSIC-predicted 6.6). In the case of silver halides, the order of estimated PZP values (6.4 for AgCl<6.5 for AgBr) agrees well with sequence estimated from the silver halide solubility products; however, the halide anions (Cl(-), Br(-)) are attracted toward surface much stronger than the Ag(+) cations. The observed PZPs sequence and strong anions affinity toward silver halide surface can be correlated with ions hydration energies. Presented approach is the complementary one to the hysteresis method reported previously [P. Zarzycki, S. Chatman, T. Preočanin, K.M. Rosso, Langmuir 27 (2011) 7986-7990]. A unique experimental characterization of specific crystal faces provided by these two methods is essential in deeper understanding of environmentally important processes, including migration of heavy and radioactive ions in soils and groundwaters. Copyright © 2012 Elsevier Inc. All rights reserved.

Co-crystallization of cholesterol and calcium phosphate as related to atherosclerosis

NASA Astrophysics Data System (ADS)

Hirsch, Danielle; Azoury, Reuven; Sarig, Sara

1990-09-01

Calcification of atherosclerotic plaques occurs very frequently and aggravates the disease. In biological systems, epitaxial relationships between crystal structures may be important in nucleating the deposit of a solid phase. The biologically preferred calcium phosphate species, apatite, and cholesterol crystal have structurally compatible crystallographic faces which allow epitaxial growth of one crystal upon another. The present study describes a new approach to explore, in vitro, the crystallization processes of calcium phosphate (CaP) with cholesterol (CS) and cholestanol (CN) which are related to atherosclerosis. Aqueous solutions containing calcium and phosphate ions or CaP crystals as hydroxyapatite were added into saturated ethanolic solutions of CS or CS and 10% CN. After precipitation, crystals were collected and analyzed by nuclear magnetic resonance (NMR), infra-red (IR), X-ray, scanning electron microscope (SEM-LINK), differential scanning calorimeter (DSC) and atomic absorption. The principal result is the well-formed crystals precipitation when an aqueous solution and CaP seed crystals were added to saturated solutions of CS and 10% CN. Cholesterol-cholestanol dihydrate (CC2W) crystals precipitated in the presence of CaP seeds were compared to the CC2W crystals obtained without the mineral compound. The results of this comparison indicate a special link between crystals of CaP and CC2W, and support the epitaxial relationship between the two kinds of crystals. The potential of CC2W crystals to be precipitated by CaP seed crystals prove likewise the possible significant role of the cholestanol metabolite in the process of cholesterol crystallization and calcification in the arteries.

Supercritical fluid crystallization of griseofulvin: crystal habit modification with a selective growth inhibitor.

PubMed

Jarmer, Daniel J; Lengsfeld, Corinne S; Anseth, Kristi S; Randolph, Theodore W

2005-12-01

Poly (sebacic anhydride) (PSA) was used as a growth inhibitor to selectively modify habit of griseofulvin crystals formed via the Precipitation with a compressed-fluid antisolvent (PCA) process. PSA and griseofulvin were coprecipitated within a PCA injector, which provided efficient mixing between the solution and compressed antisolvent process streams. Griseofulvin crystal habit was modified from acicular to bipyramidal when the mass ratio of PSA/griseofulvin in the solution feed stream was

A new two-dimensional theory for vibrations of piezoelectric crystal plates with electroded faces

NASA Astrophysics Data System (ADS)

Lee, P. C. Y.; Yu, J. D.; Lin, W. S.

1998-02-01

A system of two-dimensional (2-D) governing equations for piezoelectric plates with general crystal symmetry and with electroded faces is deduced from the three-dimensional (3-D) equations of linear piezoelectricity by expansion in series of trigonometric functions of thickness coordinate. The essential difference of the present derivation from the earlier studies by trigonometrical series expansion is that the antisymmetric in-plane displacements induced by gradients of the bending deflection (the zero-order component of transverse displacement) are expressed by the linear functions of the thickness coordinate, and the rest of displacements are expanded in cosine series of the thickness coordinate. For the electric potential, a sine-series expansion is used for it is well suited for satisfying the electrical conditions at the faces covered with conductive electrodes. A system of approximate first-order equations is extracted from the infinite system of 2-D equations. Dispersion curves for thickness shear, flexure, and face-shear modes varying along x1 and those for thickness twist and face shear varying along x3 for AT-cut quartz plates are calculated from the present 2-D equations as well as from the 3-D equations, and comparison shows that the agreement is very close without introducing any corrections. Predicted frequency spectra by the present equations are shown to agree closely with the experimental data by Koga and Fukuyo [J. Inst. Elec. Comm. Engrs. of Japan 36, 59 (1953)] and those by Nakazawa, Horiuchi, and Ito [Proceedings of 1990 IEEE Ultrasonics Symposium (IEEE, New York, 1990)].

Molecular Dynamics Simulations of the Human Glucose Transporter GLUT1

PubMed Central

Park, Min-Sun

2015-01-01

Glucose transporters (GLUTs) provide a pathway for glucose transport across membranes. Human GLUTs are implicated in devastating diseases such as heart disease, hyper- and hypo-glycemia, type 2 diabetes and caner. The human GLUT1 has been recently crystalized in the inward-facing open conformation. However, there is no other structural information for other conformations. The X-ray structures of E. coli Xylose permease (XylE), a glucose transporter homolog, are available in multiple conformations with and without the substrates D-xylose and D-glucose. XylE has high sequence homology to human GLUT1 and key residues in the sugar-binding pocket are conserved. Here we construct a homology model for human GLUT1 based on the available XylE crystal structure in the partially occluded outward-facing conformation. A long unbiased all atom molecular dynamics simulation starting from the model can capture a new fully opened outward-facing conformation. Our investigation of molecular interactions at the interface between the transmembrane (TM) domains and the intracellular helices (ICH) domain in the outward- and inward-facing conformation supports that the ICH domain likely stabilizes the outward-facing conformation in GLUT1. Furthermore, inducing a conformational transition, our simulations manifest a global asymmetric rocker switch motion and detailed molecular interactions between the substrate and residues through the water-filled selective pore along a pathway from the extracellular to the intracellular side. The results presented here are consistent with previously published biochemical, mutagenesis and functional studies. Together, this study shed light on the structure and functional relationships of GLUT1 in multiple conformational states. PMID:25919356

Antiswarming: Structure and dynamics of repulsive chemically active particles

NASA Astrophysics Data System (ADS)

Yan, Wen; Brady, John F.

2017-12-01

Chemically active Brownian particles with surface catalytic reactions may repel each other due to diffusiophoretic interactions in the reaction and product concentration fields. The system behavior can be described by a "chemical" coupling parameter Γc that compares the strength of diffusiophoretic repulsion to Brownian motion, and by a mapping to the classical electrostatic one component plasma (OCP) system. When confined to a constant-volume domain, body-centered cubic (bcc) crystals spontaneously form from random initial configurations when the repulsion is strong enough to overcome Brownian motion. Face-centered cubic (fcc) crystals may also be stable. The "melting point" of the "liquid-to-crystal transition" occurs at Γc≈140 for both bcc and fcc lattices.

Deformation induced microtwins and stacking faults in aluminum single crystal.

PubMed

Han, W Z; Cheng, G M; Li, S X; Wu, S D; Zhang, Z F

2008-09-12

Microtwins and stacking faults in plastically deformed aluminum single crystal were successfully observed by high-resolution transmission electron microscope. The occurrence of these microtwins and stacking faults is directly related to the specially designed crystallographic orientation, because they were not observed in pure aluminum single crystal or polycrystal before. Based on the new finding above, we propose a universal dislocation-based model to judge the preference or not for the nucleation of deformation twins and stacking faults in various face-centered-cubic metals in terms of the critical stress for dislocation glide or twinning by considering the intrinsic factors, such as stacking fault energy, crystallographic orientation, and grain size. The new finding of deformation induced microtwins and stacking faults in aluminum single crystal and the proposed model should be of interest to a broad community.

Morphological Features of Diamond Crystals Dissolved in Fe0.7S0.3 Melt at 4 GPa and 1400°C

NASA Astrophysics Data System (ADS)

Sonin, V. M.; Zhimulev, E. I.; Pomazanskiy, B. S.; Zemnuhov, A. L.; Chepurov, A. A.; Afanasiev, V. P.; Chepurov, A. I.

2018-01-01

An experimental study of the dissolution of natural and synthetic diamonds in a sulfur-bearing iron melt (Fe0.7S0.3) with high P-T parameters (4 GPa, 1400°C) was performed. The results demonstrated that under these conditions, octahedral crystals with flat faces and rounded tetrahexahedral diamond crystals are transformed into rounded octahedroids, which have morphological characteristics similar to those of natural diamonds from kimberlite. It was suggested that, taking into account the complex history of individual natural diamond crystals, including the dissolution stages, sulfur-bearing metal melts up to sulfide melts were not only diamond-forming media during the early evolution of the Earth, but also natural solvents of diamond in the mantle environment before the formation of kimberlitic melts.

Quantitative single molecule measurements on the interaction forces of poly(L-glutamic acid) with calcite crystals.

PubMed

Sonnenberg, Lars; Luo, Yufei; Schlaad, Helmut; Seitz, Markus; Cölfen, Helmut; Gaub, Hermann E

2007-12-12

The interaction between poly(L-glutamic acid) (PLE) and calcite crystals was studied with AFM-based single molecule force spectroscopy. Block copolymers of poly(ethylene oxide) (PEO) and PLE were synthesized and covalently attached to the tip of an AFM cantilever. In desorption measurements the molecules were allowed to adsorb on the calcite crystal faces and afterward successively desorbed. The corresponding desorption forces were detected with high precision, showing for example a force transition between the two blocks. Because of its importance in the crystallization process in biominerals, the PLE-calcite interaction was investigated as a function of the pH as well as the calcium concentration of the aqueous solution. The sensitivity of the technique was underlined by resolving different interaction forces for calcite (104) and calcite (100).

Workman-Reynolds freezing potential measurements between ice and dilute salt solutions for single ice crystal faces.

PubMed

Wilson, P W; Haymet, A D J

2008-09-18

Workman-Reynolds freezing potentials have been measured for the first time across the interface between single crystals of ice 1h and dilute electrolyte solutions. The measured electric potential is a strictly nonequilibrium phenomenon and a function of the concentration of salt, freezing rate, orientation of the ice crystal, and time. When all these factors are controlled, the voltage is reproducible to the extent expected with ice growth experiments. Zero voltage is obtained with no growth or melting. For rapidly grown ice 1h basal plane in contact with a solution of 10 (-4) M NaCl the maximum voltage exceeds 30 V and decreases to zero at both high and low salt concentrations. These single-crystal experiments explain much of the data captured on this remarkable phenomenon since 1948.

Small-Angle Neutron Scattering Investigation of Growth Modifiers on Hydrate Crystal Surfaces

NASA Astrophysics Data System (ADS)

Sun, Thomas; Hutter, Jeffrey L.; Lin, M.; King, H. E., Jr.

1998-03-01

Hydrates are crystals consisting of small molecules enclathrated within an ice-like water cage. Suppression of their growth is important in the oil industry. The presence of small quantities of specific polymers during hydrate crystallization can induce a transition from an octahedral to planar growth habit. This symmetry breaking is surprising because of the suppression of two 111 planes relative to the other six crystallographically equivalent faces. To better understand the surface effects leading to this behavior, we have studied the surface adsorption of these growth-modifing polymers onto the hydrate crytals using SANS. The total hydrate surface area, as measured by Porod scattering, increases in the presence of the growth modifier, but, no significant increase in polymer concentration on the crystal surfaces is found. Implications for possible growth mechanisms will be discussed.

Raymond Gosling: the man who crystallized genes

PubMed Central

2013-01-01

On April 25th 1953, three publications in Nature forever changed the face of the life sciences in reporting the structure of DNA. Sixty years later, Raymond Gosling shares his memories of the race to the double helix. PMID:23651528

π-π-Induced aggregation and single-crystal fluorescence anisotropy of 5,6,10b-tri-aza-acephenanthrylene.

PubMed

Ostrowska, Katarzyna; Ceresoli, Davide; Stadnicka, Katarzyna; Gryl, Marlena; Cazzaniga, Marco; Soave, Raffaella; Musielak, Bogdan; Witek, Łukasz J; Goszczycki, Piotr; Grolik, Jarosław; Turek, Andrzej M

2018-05-01

The structural origin of absorption and fluorescence anisotropy of the single crystal of the π-conjugated heterocyclic system 5,6,10b-tri-aza-acephenan-thrylene, TAAP, is presented in this study. X-ray analysis shows that the crystal framework in the space group P [Formula: see text] is formed by centrosymmetric dimers of face-to-face mutually oriented TAAP molecules joined by π-π non-covalent interactions. The conformation of the TAAP molecule is stabilized by intramolecular C-H⋯N( sp 2 ), N( sp 2 )H⋯π(CN), and C-H⋯O( sp 2 ) hydrogen bonds. The presence of weak π-π interactions is confirmed by quantum theory of atoms in molecules (QTAIM) and non-covalent interaction (NCI) analysis. The analysis of the optical spectra of TAAP in solution and in the solid state does not allow the specification of the aggregation type. DFT calculations for the dimer in the gas phase indicate that the lowest singlet excitation is forbidden by symmetry, suggesting H-type aggregation, even though the overall absorption spectrum is bathochromically shifted as for the J-type. The experimental determination of the permanent dipole moment of a TAAP molecule in 1,4-dioxane solution indicates the presence of the monomer form. The calculated absorption and emission spectra of the crystal in a simple approximation are consistent with the experimentally determined orientation of the absorption and emission transition dipole moments in TAAP single crystals. The electrostatic interaction between monomers with a permanent dipole moment ( ca 4 D each) could result in the unusual spectroscopic JH-aggregate behaviour of the TAAP dimer.

Surface Structure Spread Single Crystals (S4C): Preparation and characterization

NASA Astrophysics Data System (ADS)

de Alwis, A.; Holsclaw, B.; Pushkarev, V. V.; Reinicker, A.; Lawton, T. J.; Blecher, M. E.; Sykes, E. C. H.; Gellman, A. J.

2013-02-01

A set of six spherically curved Cu single crystals referred to as Surface Structure Spread Single Crystals (S4Cs) has been prepared in such a way that their exposed surfaces collectively span all possible crystallographic surface orientations that can be cleaved from the face centered cubic Cu lattice. The method for preparing these S4Cs and for finding the high symmetry pole point is described. Optical profilometry has been used to determine the true shapes of the S4Cs and show that over the majority of the surface, the shape is extremely close to that of a perfect sphere. The local orientations of the surfaces lie within ± 1° of the orientation expected on the basis of the spherical shape; their orientation is as good as that of many commercially prepared single crystals. STM imaging has been used to characterize the atomic level structure of the Cu(111) ± 11°-S4C. This has shown that the average step densities and the average step orientations match those expected based on the spherical shape. In other words, although there is some distribution of step-step spacing and step orientations, there is no evidence of large scale reconstruction or faceting. The Cu S4Cs have local structures based on the ideal termination of the face centered cubic Cu lattice in the direction of termination. The set of Cu S4Cs will serve as the basis for high throughput investigations of structure sensitive surface chemistry on Cu.

Crystal structure of extracellular domain of human lectin-like transcript 1 (LLT1), the ligand for natural killer receptor-P1A.

PubMed

Kita, Shunsuke; Matsubara, Haruki; Kasai, Yoshiyuki; Tamaoki, Takaharu; Okabe, Yuki; Fukuhara, Hideo; Kamishikiryo, Jun; Krayukhina, Elena; Uchiyama, Susumu; Ose, Toyoyuki; Kuroki, Kimiko; Maenaka, Katsumi

2015-06-01

Emerging evidence has revealed the pivotal roles of C-type lectin-like receptors (CTLRs) in the regulation of a wide range of immune responses. Human natural killer cell receptor-P1A (NKRP1A) is one of the CTLRs and recognizes another CTLR, lectin-like transcript 1 (LLT1) on target cells to control NK, NKT and Th17 cells. The structural basis for the NKRP1A-LLT1 interaction was limitedly understood. Here, we report the crystal structure of the ectodomain of LLT1. The plausible receptor-binding face of the C-type lectin-like domain is flat, and forms an extended β-sheet. The residues of this face are relatively conserved with another CTLR, keratinocyte-associated C-type lectin, which binds to the CTLR member, NKp65. A LLT1-NKRP1A complex model, prepared using the crystal structures of LLT1 and the keratinocyte-associated C-type lectin-NKp65 complex, reasonably satisfies the charge consistency and the conformational complementarity to explain a previous mutagenesis study. Furthermore, crystal packing and analytical ultracentrifugation revealed dimer formation, which supports a complex model. Our results provide structural insights for understanding the binding modes and signal transduction mechanisms, which are likely to be conserved in the CTLR family, and for further rational drug design towards regulating the LLT1 function. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Studies on the growth, structural, optical, mechanical properties of 8-hydroxyquinoline single crystal by vertical Bridgman technique

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prabhakaran, SP.; Babu, R. Ramesh, E-mail: rampap2k@yahoo.co.in; Velusamy, P.

2011-11-15

Highlights: {yields} Growth of bulk single crystal of 8-hydroxyquinoline (8-HQ) by vertical Bridgman technique for the first time. {yields} The crystalline perfection is reasonably good. {yields} The photoluminescence spectrum shows that the material is suitable for blue light emission. -- Abstract: Single crystal of organic nonlinear optical material, 8-hydroxyquinoline (8-HQ) of dimension 52 mm (length) x 12 mm (dia.) was grown from melt using vertical Bridgman technique. The crystal system of the material was confirmed by powder X-ray diffraction analysis. The crystalline perfection of the grown crystal was examined by high-resolution X-ray diffraction study. Low angular spread around 400'' ofmore » the diffraction curve and the low full width half maximum values show that the crystalline perfection is reasonably good. The recorded photoluminescence spectrum shows that the material is suitable for blue light emission. Optical transmittance for the UV and visible region was measured and mechanical strength was estimated from Vicker's microhardness test along the growth face of the grown crystal.« less

The evolution of machining-induced surface of single-crystal FCC copper via nanoindentation

NASA Astrophysics Data System (ADS)

Zhang, Lin; Huang, Hu; Zhao, Hongwei; Ma, Zhichao; Yang, Yihan; Hu, Xiaoli

2013-05-01

The physical properties of the machining-induced new surface depend on the performance of the initial defect surface and deformed layer in the subsurface of the bulk material. In this paper, three-dimensional molecular dynamics simulations of nanoindentation are preformed on the single-point diamond turning surface of single-crystal copper comparing with that of pristine single-crystal face-centered cubic copper. The simulation results indicate that the nucleation of dislocations in the nanoindentation test on the machining-induced surface and pristine single-crystal copper is different. The dislocation embryos are gradually developed from the sites of homogeneous random nucleation around the indenter in the pristine single-crystal specimen, while the dislocation embryos derived from the vacancy-related defects are distributed in the damage layer of the subsurface beneath the machining-induced surface. The results show that the hardness of the machining-induced surface is softer than that of pristine single-crystal copper. Then, the nanocutting simulations are performed along different crystal orientations on the same crystal surface. It is shown that the crystal orientation directly influences the dislocation formation and distribution of the machining-induced surface. The crystal orientation of nanocutting is further verified to affect both residual defect generations and their propagation directions which are important in assessing the change of mechanical properties, such as hardness and Young's modulus, after nanocutting process.

Relationship Between Equilibrium Forms of Lysozyme Crystals and Precipitant Anions

NASA Technical Reports Server (NTRS)

Nadarajah, Arunan

1996-01-01

Molecular forces, such as electrostatic, hydrophobic, van der Waals and steric forces, are known to be important in determining protein interactions. These forces are affected by the solution conditions and changing the pH, temperature or the ionic strength of the solution can sharply affect protein interactions. Several investigations of protein crystallization have shown that this process is also strongly dependent on solution conditions. As the ionic strength of the solution is increased, the initially soluble protein may either crystallize or form an amorphous precipitate at high ionic strengths. Studies done on the model protein hen egg white lysozyme have shown that different crystal forms can be easily and reproducibly obtained, depending primarily on the anion used to desolubilize the protein. In this study we employ pyranine to probe the effect of various anions on the water structure. Additionally, lysozyme crystallization was carried out at these conditions and the crystal form was determined by X-ray crystallography. The goal of the study was to understand the physico-chemical basis for the effect of changing the anion concentration on the equilibrium form of lysozyme crystals. It will also verify the hypothesis that the anions, by altering the bulk water structure in the crystallizing solutions, alter the surface energy of the between the crystal faces and the solution and, consequently, the equilibrium form of the crystals.

Structure of CPV17 polyhedrin determined by the improved analysis of serial femtosecond crystallographic data

DOE PAGES

Ginn, Helen M.; Messerschmidt, Marc; Ji, Xiaoyun; ...

2015-03-09

The X-ray free-electron laser (XFEL) allows the analysis of small weakly diffracting protein crystals, but has required very many crystals to obtain good data. Here we use an XFEL to determine the room temperature atomic structure for the smallest cytoplasmic polyhedrosis virus polyhedra yet characterized, which we failed to solve at a synchrotron. These protein microcrystals, roughly a micron across, accrue within infected cells. We use a new physical model for XFEL diffraction, which better estimates the experimental signal, delivering a high-resolution XFEL structure (1.75 Å), using fewer crystals than previously required for this resolution. The crystal lattice and proteinmore » core are conserved compared with a polyhedrin with less than 10% sequence identity. We explain how the conserved biological phenotype, the crystal lattice, is maintained in the face of extreme environmental challenge and massive evolutionary divergence. Our improved methods should open up more challenging biological samples to XFEL analysis.« less

Colorado amethyst.

USGS Publications Warehouse

Michalski, T.C.

1984-01-01

Of the 20 or so amethyst localities reported in Colorado, four are described in some detail and comments are given on their geology. The Crystal Hill mine, near La Garita, Saguache County, contains rock crystal (long slender prisms with small rhombohedral terminations) and pale lavender amethyst (generally <3 in. in length). The deposit was worked as early as the 1800's as a gold mine and also contains abundant manganese oxides. Amethyst, associated with argentiferous galena, sphalerite and chalcopyrite, occurs in the Amethyst mine, in the Creede district, on West Willow Creek, Mineral County. The specimens here consist of small pale pinkish-purple crystals interlayered with milky quartz, some as banded forms ("sowbelly agate') and as geode-like vugs. Amethyst also occurs in Unaweep Canyon south of Grand Junction in Mesa County. Pale to very dark amethyst occurs as crystals dominated by large rhombohedra and small prisms (approx 1 in. across). At Red Feather Lakes, Larimer County, amethyst crystals are medium to dark purple and have prism and rhombohedral faces nearly equally developed; some are doubly terminated. -R.S.M.

Molecular basis of crystal morphology-dependent adhesion behavior of mefenamic acid during tableting.

PubMed

Waknis, Vrushali; Chu, Elza; Schlam, Roxana; Sidorenko, Alexander; Badawy, Sherif; Yin, Shawn; Narang, Ajit S

2014-01-01

The molecular basis of crystal surface adhesion leading to sticking was investigated by exploring the correlation of crystal adhesion to oxidized iron coated atomic force microscope (AFM) tips and bulk powder sticking behavior during tableting of two morphologically different crystals of a model drug, mefenamic acid (MA), to differences in their surface functional group orientation and energy. MA was recrystallized into two morphologies (plates and needles) of the same crystalline form. Crystal adhesion to oxidized iron coated AFM tips and bulk powder sticking to tablet punches was assessed using a direct compression formulation. Surface functional group orientation and energies on crystal faces were modeled using Accelrys Material Studio software. Needle-shaped morphology showed higher sticking tendency than plates despite similar particle size. This correlated with higher crystal surface adhesion of needle-shaped morphology to oxidized iron coated AFM probe tips, and greater surface energy and exposure of polar functional groups. Higher surface exposure of polar functional groups correlates with higher tendency to stick to metal surfaces and AFM tips, indicating involvement of specific polar interactions in the adhesion behavior. In addition, an AFM method is identified to prospectively assess the risk of sticking during the early stages of drug development.

Transmission electron microscopy study of crystal growth, solid solution, and defect formation: Hollandite and synthetic tremolite

NASA Astrophysics Data System (ADS)

Bozhilov, Krassimir Nikolov

Transmission electron microscopy was applied to study the crystal growth, origin of microstructures, and composition of hollandite and synthetic tremolite. The nonequilibrium shape of hollandite crystals, with reentrant angles between prismatic faces, is interpreted to be due to a multistage growth process and the development of lamellar defects that affect the growth rates of the F-faces. The process of crystal growth can be divided into three phases: (1) development of a core of intergrown romanechite and hollandite structures, (2) topotactic transformation of romanechite to hollandite and development of a lamellar microstructure, and (3) extensive overgrowth of hollandite with a high density of chain multiplicity faults, which alters the shapes of the crystals. The products from time-series of hydrothermal tremolite synthesis experiments from an oxide mixture and by recrystallization from diopside, enstatite, quartz, and water have been characterized. The crystallization starts with rapid, metastable formation of pyroxene and Mg-enriched amphibole. Chain multiplicity faults are low in density. The observed Mg enrichment is due primarily to solid solution involving the magnesio-cummingtonite component, which reaches up to 24 mol% in the initial, metastable growth stage. In products from the final stages of the experiments, the magnesio-cummingtonite component in tremolite varies between 7 and 13 mol%. Formation of monoclinic primitive tremolite is also observed. Experimental recrystallization of pyroxenes to amphibole takes place by a complex, multistage mechanism. The product amphibole crystals have low chain-multiplicity fault densities, which in general are not strongly correlated with variations in the Ca/Mg ratio. The yield of tremolitic amphibole is limited by the sluggishness of diopside hydration and dissolution and the formation of persistent, metastable solid solutions rich in the magnesio-cummingtonite component. Distance Least Squares refinements and lattice energy calculations for magnesio-cummingtonite/tremolite solid solutions reproduce the reduction of symmetry that occurs with reduction of the M4 cation size, as observed in natural amphiboles. Tremolitic amphibole with more than 20% magnesio-cummingtonite component in solid solution favors a primitive monoclinic structure. The intermediate compositions show significant structural distortions, which supports other observations suggesting that such intermediate compositions are unstable.

Protein Crystallization

NASA Technical Reports Server (NTRS)

Chernov, Alexander A.

2005-01-01

Nucleation, growth and perfection of protein crystals will be overviewed along with crystal mechanical properties. The knowledge is based on experiments using optical and force crystals behave similar to inorganic crystals, though with a difference in orders of magnitude in growing parameters. For example, the low incorporation rate of large biomolecules requires up to 100 times larger supersaturation to grow protein, rather than inorganic crystals. Nucleation is often poorly reproducible, partly because of turbulence accompanying the mixing of precipitant with protein solution. Light scattering reveals fluctuations of molecular cluster size, its growth, surface energies and increased clustering as protein ages. Growth most often occurs layer-by-layer resulting in faceted crystals. New molecular layer on crystal face is terminated by a step where molecular incorporation occurs. Quantitative data on the incorporation rate will be discussed. Rounded crystals with molecularly disordered interfaces will be explained. Defects in crystals compromise the x-ray diffraction resolution crucially needed to find the 3D atomic structure of biomolecules. The defects are immobile so that birth defects stay forever. All lattice defects known for inorganics are revealed in protein crystals. Contribution of molecular conformations to lattice disorder is important, but not studied. This contribution may be enhanced by stress field from other defects. Homologous impurities (e.g., dimers, acetylated molecules) are trapped more willingly by a growing crystal than foreign protein impurities. The trapped impurities induce internal stress eliminated in crystals exceeding a critical size (part of mni for ferritin, lysozyme). Lesser impurities are trapped from stagnant, as compared to the flowing, solution. Freezing may induce much more defects unless quickly amorphysizing intracrystalline water.

A functional role of Rv1738 in Mycobacterium tuberculosis persistence suggested by racemic protein crystallography.

PubMed

Bunker, Richard D; Mandal, Kalyaneswar; Bashiri, Ghader; Chaston, Jessica J; Pentelute, Bradley L; Lott, J Shaun; Kent, Stephen B H; Baker, Edward N

2015-04-07

Protein 3D structure can be a powerful predictor of function, but it often faces a critical roadblock at the crystallization step. Rv1738, a protein from Mycobacterium tuberculosis that is strongly implicated in the onset of nonreplicating persistence, and thereby latent tuberculosis, resisted extensive attempts at crystallization. Chemical synthesis of the L- and D-enantiomeric forms of Rv1738 enabled facile crystallization of the D/L-racemic mixture. The structure was solved by an ab initio approach that took advantage of the quantized phases characteristic of diffraction by centrosymmetric crystals. The structure, containing L- and D-dimers in a centrosymmetric space group, revealed unexpected homology with bacterial hibernation-promoting factors that bind to ribosomes and suppress translation. This suggests that the functional role of Rv1738 is to contribute to the shutdown of ribosomal protein synthesis during the onset of nonreplicating persistence of M. tuberculosis.

Optical properties of three-dimensional P(St-MAA) photonic crystals on polyester fabrics

NASA Astrophysics Data System (ADS)

Liu, Guojin; Zhou, Lan; Wu, Yujiang; Wang, Cuicui; Fan, Qinguo; Shao, Jianzhong

2015-04-01

The three-dimensional (3D) photonic crystals with face-centered cubic (fcc) structure was fabricated on polyester fabrics, a kind of soft textile materials quite different from the conventional solid substrates, by gravitational sedimentation self-assembly of monodisperse P(St-MAA) colloidal microspheres. The optical properties of structural colors on polyester fabrics were investigated and the position of photonic band gap was characterized. The results showed that the color-tuning ways of the structural colors from photonic crystals were in accordance with Bragg's law and could be modulated by the size of P(St-MAA) colloidal microspheres and the viewing angles. The L∗a∗b∗ values of the structural colors generated from the assembled polyester fabrics were in agreement with their reflectance spectra. The photonic band gap position of photonic crystals on polyester fabrics could be consistently confirmed by reflectance and transmittance spectra.

Atomic force microscopic study of step bunching and macrostep formation during the growth of L-arginine phosphate monohydrate single crystals

NASA Astrophysics Data System (ADS)

Sangwal, K.; Torrent-Burgues, J.; Sanz, F.; Gorostiza, P.

1997-02-01

The experimental results of the formation of step bunches and macrosteps on the {100} face of L-arginine phosphate monohydrate crystals grown from aqueous solutions at different supersaturations studied by using atomic force microscopy are described and discussed. It was observed that (1) the step height does not remain constant with increasing time but fluctuates within a particular range of heights, which depends on the region of step bunches, (2) the maximum height and the slope of bunched steps increases with growth time as well as supersaturation used for growth, and that (3) the slope of steps of relatively small heights is usually low with a value of about 8° and does not depend on the region of formation of step bunches, but the slope of steps of large heights is up to 21°. Analysis of the experimental results showed that (1) at a particular value of supersaturation the ratio of the average step height to the average step spacing is a constant, suggesting that growth of the {100} face of L-arginine phosphate monohydrate crystals occurs by direct integration of growth entities to growth steps, and that (2) the formation of step bunches and macrosteps follows the dynamic theory of faceting, advanced by Vlachos et al.

Structure of the toxic core of α-synuclein from invisible crystals

DOE PAGES

Rodriguez, Jose A.; Ivanova, Magdalena I.; Sawaya, Michael R.; ...

2015-09-09

We report that the protein α-synuclein is the main component of Lewy bodies, the neuron-associated aggregates seen in Parkinson disease and other neurodegenerative pathologies. An 11-residue segment, which we term NACore, appears to be responsible for amyloid formation and cytotoxicity of human α-synuclein. Here we describe crystals of NACore that have dimensions smaller than the wavelength of visible light and thus are invisible by optical microscopy. As the crystals are thousands of times too small for structure determination by synchrotron X-ray diffraction, we use micro-electron diffraction to determine the structure at atomic resolution. The 1.4 Å resolution structure demonstrates thatmore » this method can determine previously unknown protein structures and here yields, to our knowledge, the highest resolution achieved by any cryo-electron microscopy method to date. The structure exhibits protofibrils built of pairs of face-to-face β-sheets. X-ray fibre diffraction patterns show the similarity of NACore to toxic fibrils of full-length α-synuclein. Finally, the NACore structure, together with that of a second segment, inspires a model for most of the ordered portion of the toxic, full-length α-synuclein fibril, presenting opportunities for the design of inhibitors of α-synuclein fibrils.« less

Site-Directed Spin-Labeling Analysis of Reconstituted Mscl in the Closed State

PubMed Central

Perozo, Eduardo; Kloda, Anna; Cortes, D. Marien; Martinac, Boris

2001-01-01

The mechanosensitive channel from Escherichia coli (Eco-MscL) responds to membrane lateral tension by opening a large, water-filled pore that serves as an osmotic safety valve. In an attempt to understand the structural dynamics of MscL in the closed state and under physiological conditions, we have performed a systematic site-directed spin labeling study of this channel reconstituted in a membrane bilayer. Structural information was derived from an analysis of probe mobility, residue accessibility to O2 or NiEdda and overall intersubunit proximity. For the majority of the residues studied, mobility and accessibility data showed a remarkable agreement with the Mycobacterium tuberculosis crystal structure, clearly identifying residues facing the large water-filled vestibule at the extracellular face of the molecule, the narrowest point along the permeation pathway (residues 21–26 of Eco-MscL), and the lipid-exposed residues in the peripheral transmembrane segments (TM2). Overall, the present dataset demonstrates that the transmembrane regions of the MscL crystal structure (obtained in detergent and at low pH) are, in general, an accurate representation of its structure in a membrane bilayer under physiological conditions. However, significant differences between the EPR data and the crystal structure were found toward the COOH-terminal end of TM2. PMID:11479346

Mechanistic principles of colloidal crystal growth by evaporation-induced convective steering.

PubMed

Brewer, Damien D; Allen, Joshua; Miller, Michael R; de Santos, Juan M; Kumar, Satish; Norris, David J; Tsapatsis, Michael; Scriven, L E

2008-12-02

We simulate evaporation-driven self-assembly of colloidal crystals using an equivalent network model. Relationships between a regular hexagonally close-packed array of hard, monodisperse spheres, the associated pore space, and selectivity mechanisms for face-centered cubic microstructure propagation are described. By accounting for contact line rearrangement and evaporation at a series of exposed menisci, the equivalent network model describes creeping flow of solvent into and through a rigid colloidal crystal. Observations concerning colloidal crystal growth are interpreted in terms of the convective steering hypothesis, which posits that solvent flow into and through the pore space of the crystal may play a major role in colloidal self-assembly. Aspects of the convective steering and deposition of high-Peclet-number rigid spherical particles at a crystal boundary are inferred from spatially resolved solvent flow into the crystal. Gradients in local flow through boundary channels were predicted due to the channels' spatial distribution relative to a pinned free surface contact line. On the basis of a uniform solvent and particle flux as the criterion for stability of a particular growth plane, these network simulations suggest the stability of a declining {311} crystal interface, a symmetry plane which exclusively propagates fcc microstructure. Network simulations of alternate crystal planes suggest preferential growth front evolution to the declining {311} interface, in consistent agreement with the proposed stability mechanism for preferential fcc microstructure propagation in convective assembly.

Cirrus Simulations of CRYSTAL-FACE 23 July 2002 Case

NASA Technical Reports Server (NTRS)

Starr, David; Lin, Ruei-Fong; Demoz, Belay; Lare, Andrew

2004-01-01

A key objective of the Cirrus Regional Study of Tropical Anvils and Cirrus Layers - Florida Area Cirrus Experiment (CRYSTAL-FACE) is to understand relationships between the properties of tropical convective cloud systems and the properties and lifecycle of the extended cirrus anvils they produce. We report here on a case study of 23 July 2002 where a sequence of convective storms over central Florida produced an extensive anvil outflow. Our approach is to use a suitably-initialized cloud- system simulation with MM5 (Starr et al., companion paper in this volume) to define initial conditions and time-dependent forcing for a simulation of anvil evolution using a two-dimensional fine-resolution (100 m) cirrus cloud model that explicitly accounts for details of cirrus microphysical development (bin or spectra model) and fully interactive radiative processes. The cirrus model follows Lin (1997). The microphysical components are described in Lin et al. (2004) - see Lin et a1 (this volume). Meteorological conditions and observations for the 23 July case are described in Starr et al. (this volume). The goals of the present study are to evaluate how well we can simulate a cirrus anvil lifecycle, to evaluate the importance of various physical processes that operate within the anvil, and to evaluate the importance of environmental conditions in regulating anvil lifecycle. CRYSTAL-FACE produced a number of excellent case studies of anvil systems that will allow environmental factors, such as static stability or wind shear in the upper troposphere, to be examined. In the present study, we strive to assess the importance of propagating gravity waves, likely produced by the deep convection itself, and radiative processes, to anvil lifecycle and characteristics.

Solvent minimization induces preferential orientation and crystal clustering in serial micro-crystallography on micro-meshes, in situ plates and on a movable crystal conveyor belt

DOE Office of Scientific and Technical Information (OSTI.GOV)

Soares, Alexei S.; Mullen, Jeffrey D.; Parekh, Ruchi M.

X-ray diffraction data were obtained at the National Synchrotron Light Source from insulin and lysozyme crystals that were densely deposited on three types of surfaces suitable for serial micro-crystallography: MiTeGen MicroMeshes™, Greiner Bio-One Ltdin situmicro-plates, and a moving kapton crystal conveyor belt that is used to deliver crystals directly into the X-ray beam. 6° wedges of data were taken from ~100 crystals mounted on each material, and these individual data sets were merged to form nine complete data sets (six from insulin crystals and three from lysozyme crystals). Insulin crystals have a parallelepiped habit with an extended flat face thatmore » preferentially aligned with the mounting surfaces, impacting the data collection strategy and the design of the serial crystallography apparatus. Lysozyme crystals had a cuboidal habit and showed no preferential orientation. Preferential orientation occluded regions of reciprocal space when the X-ray beam was incident normal to the data-collection medium surface, requiring a second pass of data collection with the apparatus inclined away from the orthogonal. In addition, crystals measuring less than 20 µm were observed to clump together into clusters of crystals. Clustering required that the X-ray beam be adjusted to match the crystal size to prevent overlapping diffraction patterns. No additional problems were encountered with the serial crystallography strategy of combining small randomly oriented wedges of data from a large number of specimens. Lastly, high-quality data able to support a realistic molecular replacement solution were readily obtained from both crystal types using all three serial crystallography strategies.« less

Solvent minimization induces preferential orientation and crystal clustering in serial micro-crystallography on micro-meshes, in situ plates and on a movable crystal conveyor belt.

PubMed

Soares, Alexei S; Mullen, Jeffrey D; Parekh, Ruchi M; McCarthy, Grace S; Roessler, Christian G; Jackimowicz, Rick; Skinner, John M; Orville, Allen M; Allaire, Marc; Sweet, Robert M

2014-11-01

X-ray diffraction data were obtained at the National Synchrotron Light Source from insulin and lysozyme crystals that were densely deposited on three types of surfaces suitable for serial micro-crystallography: MiTeGen MicroMeshes™, Greiner Bio-One Ltd in situ micro-plates, and a moving kapton crystal conveyor belt that is used to deliver crystals directly into the X-ray beam. 6° wedges of data were taken from ∼100 crystals mounted on each material, and these individual data sets were merged to form nine complete data sets (six from insulin crystals and three from lysozyme crystals). Insulin crystals have a parallelepiped habit with an extended flat face that preferentially aligned with the mounting surfaces, impacting the data collection strategy and the design of the serial crystallography apparatus. Lysozyme crystals had a cuboidal habit and showed no preferential orientation. Preferential orientation occluded regions of reciprocal space when the X-ray beam was incident normal to the data-collection medium surface, requiring a second pass of data collection with the apparatus inclined away from the orthogonal. In addition, crystals measuring less than 20 µm were observed to clump together into clusters of crystals. Clustering required that the X-ray beam be adjusted to match the crystal size to prevent overlapping diffraction patterns. No additional problems were encountered with the serial crystallography strategy of combining small randomly oriented wedges of data from a large number of specimens. High-quality data able to support a realistic molecular replacement solution were readily obtained from both crystal types using all three serial crystallography strategies.

Solvent minimization induces preferential orientation and crystal clustering in serial micro-crystallography on micro-meshes, in situ plates and on a movable crystal conveyor belt

DOE PAGES

Soares, Alexei S.; Mullen, Jeffrey D.; Parekh, Ruchi M.; ...

2014-10-09

X-ray diffraction data were obtained at the National Synchrotron Light Source from insulin and lysozyme crystals that were densely deposited on three types of surfaces suitable for serial micro-crystallography: MiTeGen MicroMeshes™, Greiner Bio-One Ltdin situmicro-plates, and a moving kapton crystal conveyor belt that is used to deliver crystals directly into the X-ray beam. 6° wedges of data were taken from ~100 crystals mounted on each material, and these individual data sets were merged to form nine complete data sets (six from insulin crystals and three from lysozyme crystals). Insulin crystals have a parallelepiped habit with an extended flat face thatmore » preferentially aligned with the mounting surfaces, impacting the data collection strategy and the design of the serial crystallography apparatus. Lysozyme crystals had a cuboidal habit and showed no preferential orientation. Preferential orientation occluded regions of reciprocal space when the X-ray beam was incident normal to the data-collection medium surface, requiring a second pass of data collection with the apparatus inclined away from the orthogonal. In addition, crystals measuring less than 20 µm were observed to clump together into clusters of crystals. Clustering required that the X-ray beam be adjusted to match the crystal size to prevent overlapping diffraction patterns. No additional problems were encountered with the serial crystallography strategy of combining small randomly oriented wedges of data from a large number of specimens. Lastly, high-quality data able to support a realistic molecular replacement solution were readily obtained from both crystal types using all three serial crystallography strategies.« less

Solvent minimization induces preferential orientation and crystal clustering in serial micro-crystallography on micro-meshes, in situ plates and on a movable crystal conveyor belt

PubMed Central

Soares, Alexei S.; Mullen, Jeffrey D.; Parekh, Ruchi M.; McCarthy, Grace S.; Roessler, Christian G.; Jackimowicz, Rick; Skinner, John M.; Orville, Allen M.; Allaire, Marc; Sweet, Robert M.

2014-01-01

X-ray diffraction data were obtained at the National Synchrotron Light Source from insulin and lysozyme crystals that were densely deposited on three types of surfaces suitable for serial micro-crystallography: MiTeGen MicroMeshes™, Greiner Bio-One Ltd in situ micro-plates, and a moving kapton crystal conveyor belt that is used to deliver crystals directly into the X-ray beam. 6° wedges of data were taken from ∼100 crystals mounted on each material, and these individual data sets were merged to form nine complete data sets (six from insulin crystals and three from lysozyme crystals). Insulin crystals have a parallelepiped habit with an extended flat face that preferentially aligned with the mounting surfaces, impacting the data collection strategy and the design of the serial crystallography apparatus. Lysozyme crystals had a cuboidal habit and showed no preferential orientation. Preferential orientation occluded regions of reciprocal space when the X-ray beam was incident normal to the data-collection medium surface, requiring a second pass of data collection with the apparatus inclined away from the orthogonal. In addition, crystals measuring less than 20 µm were observed to clump together into clusters of crystals. Clustering required that the X-ray beam be adjusted to match the crystal size to prevent overlapping diffraction patterns. No additional problems were encountered with the serial crystallography strategy of combining small randomly oriented wedges of data from a large number of specimens. High-quality data able to support a realistic molecular replacement solution were readily obtained from both crystal types using all three serial crystallography strategies. PMID:25343789

Combinatorial compatibility as habit-controlling factor in lysozyme crystallization I. Monomeric and tetrameric F faces derived graph-theoretically

NASA Astrophysics Data System (ADS)

Strom, C. S.; Bennema, P.

1997-03-01

A series of two articles discusses possible morphological evidence for oligomerization of growth units in the crystallization of tetragonal lysozyme, based on a rigorous graph-theoretic derivation of the F faces. In the first study (Part I), the growth layers are derived as valid networks satisfying the conditions of F slices in the context of the PBC theory using the graph-theoretic method implemented in program FFACE [C.S. Strom, Z. Krist. 172 (1985) 11]. The analysis is performed in monomeric and alternative tetrameric and octameric formulations of the unit cell, assuming tetramer formation according to the strongest bonds. F (flat) slices with thickness Rdhkl ( {1}/{2} < R ≤ 1 ) are predicted theoretically in the forms 1 1 0, 0 1 1, 1 1 1. The relevant energies are established in the broken bond model. The relation between possible oligomeric specifications of the unit cell and combinatorially feasible F slice compositions in these orientations is explored.

Method for making circular tubular channels with two silicon wafers

DOEpatents

Yu, C.M.; Hui, W.C.

1996-11-19

A two-wafer microcapillary structure is fabricated by depositing boron nitride (BN) or silicon nitride (Si{sub 3}N{sub 4}) on two separate silicon wafers (e.g., crystal-plane silicon with [100] or [110] crystal orientation). Photolithography is used with a photoresist to create exposed areas in the deposition for plasma etching. A slit entry through to the silicon is created along the path desired for the ultimate microcapillary. Acetone is used to remove the photoresist. An isotropic etch, e.g., such as HF/HNO{sub 3}/CH{sub 3}COOH, then erodes away the silicon through the trench opening in the deposition layer. A channel with a half-circular cross section is then formed in the silicon along the line of the trench in the deposition layer. Wet etching is then used to remove the deposition layer. The two silicon wafers are aligned and then bonded together face-to-face to complete the microcapillary. 11 figs.

Crystal defects observed by the etch-pit method and their effects on Schottky-barrier-diode characteristics on (\\bar{2}01) β-Ga2O3

NASA Astrophysics Data System (ADS)

Kasu, Makoto; Oshima, Takayoshi; Hanada, Kenji; Moribayashi, Tomoya; Hashiguchi, Akihiro; Oishi, Toshiyuki; Koshi, Kimiyoshi; Sasaki, Kohei; Kuramata, Akito; Ueda, Osamu

2017-09-01

A pixel array of vertical Schottky-barrier diodes (SBDs) was fabricated and measured on the surface of a (\\bar{2}01) β-Ga2O3 single crystal. Subsequently, etch pits and patterns were observed on the same surface. Three types of etch pits were discovered: (1) a line-shaped etch pattern originating from a void and extending toward the [010] direction, (2) an arrow-shaped etch pit whose arrow’s head faces toward the [102] direction and, (3) a gourd-shaped etch pit whose point head faces toward the [102] direction. Their average densities were estimated to be 5 × 102, 7 × 104, and 9 × 104 cm-2, respectively. We confirmed no clear relationship between the leakage current in SBDs and these crystalline defects. Such results are obtained because threading dislocations run mainly in the [010] growth direction and do not go through the (\\bar{2}01) sample plate.

The formation and optical properties of planar waveguide in laser crystal Nd:YGG by carbon ion implantation

NASA Astrophysics Data System (ADS)

Zhao, Jin-Hua; Qin, Xi-Feng; Wang, Feng-Xiang; Jiao, Yang; Guan, Jing; Fu, Gang

2017-10-01

As one kind of prominent laser crystal, Nd:Y3Ga5O12 (Nd:YGG) crystal has outstanding performance on laser excitation at multi-wavelength which have shown promising applications in optical communication field. In addition, Nd:YGG crystal has potential applications in medical field due to its ability of emit the laser at 1110 nm. Optical waveguide structure with high quality could improve the efficiency of laser emission. In this work, we fabricated the optical planar waveguide on Nd:YGG crystal by medium mass ion implantation which was convinced an effective method to realize a waveguide structure with superior optical properties. The sample is implanted by C ions at energy of 5.0 MeV with the fluence of 1 × 1015 ions/cm2. We researched the optical propagation properties in the Nd:YGG waveguide by end-face coupling and prism coupling method. The Nd ions fluorescent properties are obtained by a confocal micro-luminescence measurement. The fluorescent properties of Nd ions obtained good reservation after C ion implantation. Our work has reference value for the application of Nd:YGG crystal in the field of optical communication.

Analyzing multistep homogeneous nucleation in vapor-to-solid transitions using molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Tanaka, Kyoko K.; Diemand, Jürg; Tanaka, Hidekazu; Angélil, Raymond

2017-08-01

In this paper, we present multistep homogeneous nucleations in vapor-to-solid transitions as revealed by molecular dynamics simulations on Lennard-Jones molecules, where liquidlike clusters are created and crystallized. During a long, direct N V E (constant volume, energy, and number of molecules) involving the integration of (1.9 -15 )× 106 molecules in up to 200 million steps (=4.3 μ s ), crystallization in many large, supercooled nanoclusters is observed once the liquid clusters grow to a certain size (˜800 molecules for the case of T ≃0.5 ɛ /k ). In the simulations, we discovered an interesting process associated with crystallization: the solid clusters lost 2-5 % of their mass during crystallization at low temperatures below their melting temperatures. Although the crystallized clusters were heated by latent heat, they were stabilized by cooling due to evaporation. The clusters crystallized quickly and completely except at surface layers. However, they did not have stable crystal structures, rather they had metastable structures such as icosahedral, decahedral, face-centered-cubic-rich (fcc-rich), and hexagonal-close-packed-rich (hcp-rich). Several kinds of cluster structures coexisted in the same size range of ˜1000 -5000 molecules. Our results imply that multistep nucleation is a common first stage of condensation from vapor to solid.

Surface structure of micro-diamond from ultrahigh-pressure felsic granulite, Bohemian Massif: AFM study of growth and resorption phenomena

NASA Astrophysics Data System (ADS)

Kotková, J.; Klapetek, P.

2012-04-01

Morphology, associated phases and retrogression phenomena of in-situ microdiamonds formed at extreme pressures in ultrahigh-pressure metamorphic terranes represent excellent tools to study character of diamond-forming media at great depths. Well-preserved microdiamonds discovered recently along with coesite in ultrahigh-pressure granulites of the north Bohemian crystalline basement, European Variscan belt (Kotková et al., 2011), provide unique material for such investigations. The diamonds are enclosed in major granulite phases, i.e. garnet both in felsic and intermediate lithologies and in kyanite in the felsic sample, as well as in zircon. Transmitted and reflected light microscopy of the felsic granulite sample, with peak mineral assemblage garnet, kyanite, feldspar and quartz, revealed presence of numerous, 5-20 μm-sized, perfectly preserved diamond crystals enclosed in kyanite grains. In contrast, diamonds within garnet are rare, can reach up to 30 μm in size, and graphite rims as well as polycrystalline graphite aggregates possibly representing complete diamond retrogression are common. We applied atomic force microscopy to study in-situ crystal morphology and surface microtopographic features, representing clues to the conditions and mechanisms of crystal formation as well as diamond resorption and retrogression. Both diamond enclosed in garnet and in kyanite of the felsic granulite occur exclusively as single crystals. The crystals have octahedral crystal shapes with straight but rounded edges and rounded corners. Concentric triangular terraces delimiting a flat triangular table on crystal scale and small micron-sized negatively oriented downward-pointing trigons developed on the octahedron crystal faces. Higher magnification reveals presence of discontinuous elongate hillocks oriented parallel to the octahedron face edge with positively oriented trigons. We suggest that the large-scale triangular terraces represent growth features. In contrast, the rounding of crystal edges and corners and development of negative trigons reflect diamond resorption. According to experimental works, such features are attributed to high temperature resorption, i.e. oxidation above ~ 950°C due to interaction with CO2 and/or H2O-bearing fluids (or fluid-bearing melts). Our results are consistent with presence of supercritical C-O-H fluid in the rocks in subduction zones documented from other ultrahigh-pressure metamorphic terranes, the resorption morphology corresponding rather to the interaction with water-rich than CO2-rich fluids. Kotková J., ÓBrien P., Ziemann M. (2011): Diamond and coesite discovered in Saxony-type granulite: Solution to the Variscan garnet peridotite enigma. Geology, 39, 7, 667-670.

Fabrication of photonic crystal microprisms based on artificial opals

NASA Astrophysics Data System (ADS)

Fenollosa, Roberto; Ibisate, Marta; Rubio, Silvia; Lopez, Ceferino; Meseguer, Francisco; Sanchez-Dehesa, Jose

2002-04-01

This paper reports a new method for faceting artificial opals based on micromanipulation techniques. By this means it was possible to fabricate an opal prism in a single domain with different faces: (111), (110) and (100), which were characterized by Scanning Electron Microscopy and Optical Reflectance Spectroscopy. Their spectra exhibit different characteristics depending on the orientation of the facet. While (111)-oriented face gives rise to a high Bragg reflection peak at about a/(lambda) equals 0.66 (where a is the lattice parameter), (110) and (100) faces show much less intense peaks corresponding to features in the band structure at a/(lambda) equals 1.12 and a/(lambda) equals 1.07 respectively. Peaks at higher energies have less obvious explanation.

Convective diffusion in protein crystal growth

NASA Technical Reports Server (NTRS)

Baird, J. K.; Meehan, E. J., Jr.; Xidis, A. L.; Howard, S. B.

1986-01-01

A protein crystal modeled as a flat plate suspended in the parent solution, with the normal to the largest face perpendicular to gravity and the protein concentration in the solution adjacent to the plate taken to be the equilibrium solubility, is studied. The Navier-Stokes equation and the equation for convective diffusion in the boundary layer next to the plate are solved to calculate the flow velocity and the protein mass flux. The local rate of growth of the plate is shown to vary significantly with depth due to the convection. For an aqueous solution of lysozyme at a concentration of 40 mg/ml, the boundary layer at the top of a 1-mm-high crystal has a thickness of 80 microns at 1 g, and 2570 microns at 10 to the -6th g.

Study of Inverse Ni-based Photonic Crystal using the Microradian X-ray Diffraction

NASA Astrophysics Data System (ADS)

Vasilieva, A. V.; Grigoryeva, N. A.; Mistonov, A. A.; Sapoletova, N. A.; Napolskii, K. S.; Eliseev, A. A.; Lukashin, A. V.; Tretyakov, Yu D.; Petukhov, A. V.; Byelov, D.; Chernyshov, D.; Okorokov, A. I.; Bouwman, W. G.; Grigoriev, S. V.

2010-10-01

Inverse photonic nickel-based crystal films formed by electrocrystallization of metal inside the voids of polymer artificial opal have been studied using the microradian X-ray diffraction. Analysis of the diffraction images agrees with an face-centred cubic (FCC) structure with the lattice constant a0 = 650 ± 10 nm and indicates two types of stacking sequences coexisting in the crystal (twins of ABCABC... and ACBACB... ordering motifs), the ratio between them being 4:5 The transverse structural correlation length Ltran is 2.4 ± 0.1 μm, which corresponds to a sample thickness of 6 layers. The in-plane structural correlation length Llong is 3.4 ± 0.2 μm, and the structure mosaic is of order of 10°.

Critical CuI buffer layer surface density for organic molecular crystal orientation change

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahn, Kwangseok; Kim, Jong Beom; Lee, Dong Ryeol, E-mail: drlee@ssu.ac.kr

We have determined the critical surface density of the CuI buffer layer inserted to change the preferred orientation of copper phthalocyanine (CuPc) crystals grown on the buffer layer. X-ray reflectivity measurements were performed to obtain the density profiles of the buffer layers and out-of-plane and 2D grazing-incidence X-ray diffraction measurements were performed to determine the preferred orientations of the molecular crystals. Remarkably, it was found that the preferred orientation of the CuPc film is completely changed from edge-on (1 0 0) to face-on (1 1 −2) by a CuI buffer layer with a very low surface density, so low thatmore » a large proportion of the substrate surface is bare.« less

HABIT CHANGES OF Y3Al5O12 AND Y3Ga5O12 GROWN FROM A PbO-PbF2 FLUX,

DTIC Science & Technology

Al2O3 or - Ga2O3 ratio in the melt. Y3Ga5O12 crystals have a pure (211) habit when grown from either a Y2O3- or PbO-rich melt. The crystals develop...small (110) faces when grown from a Ga2O3 - or PbF2-rich melt. Y3Al5O12 crystals have a pure (110) when grown from either a PbF2- or Al2O3-rich melt... Ga2O3 -rich melts. It is believed that the habit variations are caused by changes in either the surface diffusion or step propagation, due to Pb

Light intensity compressor

DOEpatents

Rushford, Michael C.

1990-02-06

In a system for recording images having vastly differing light intensities over the face of the image, a light intensity compressor is provided that utilizes the properties of twisted nematic liquid crystals to compress the image intensity. A photoconductor or photodiode material that is responsive to the wavelength of radiation being recorded is placed adjacent a layer of twisted nematic liquid crystal material. An electric potential applied to a pair of electrodes that are disposed outside of the liquid crystal/photoconductor arrangement to provide an electric field in the vicinity of the liquid crystal material. The electrodes are substantially transparent to the form of radiation being recorded. A pair of crossed polarizers are provided on opposite sides of the liquid crystal. The front polarizer linearly polarizes the light, while the back polarizer cooperates with the front polarizer and the liquid crystal material to compress the intensity of a viewed scene. Light incident upon the intensity compressor activates the photoconductor in proportion to the intensity of the light, thereby varying the field applied to the liquid crystal. The increased field causes the liquid crystal to have less of a twisting effect on the incident linearly polarized light, which will cause an increased percentage of the light to be absorbed by the back polarizer. The intensity of an image may be compressed by forming an image on the light intensity compressor.

Light intensity compressor

DOEpatents

Rushford, Michael C.

1990-01-01

In a system for recording images having vastly differing light intensities over the face of the image, a light intensity compressor is provided that utilizes the properties of twisted nematic liquid crystals to compress the image intensity. A photoconductor or photodiode material that is responsive to the wavelength of radiation being recorded is placed adjacent a layer of twisted nematic liquid crystal material. An electric potential applied to a pair of electrodes that are disposed outside of the liquid crystal/photoconductor arrangement to provide an electric field in the vicinity of the liquid crystal material. The electrodes are substantially transparent to the form of radiation being recorded. A pair of crossed polarizers are provided on opposite sides of the liquid crystal. The front polarizer linearly polarizes the light, while the back polarizer cooperates with the front polarizer and the liquid crystal material to compress the intensity of a viewed scene. Light incident upon the intensity compressor activates the photoconductor in proportion to the intensity of the light, thereby varying the field applied to the liquid crystal. The increased field causes the liquid crystal to have less of a twisting effect on the incident linearly polarized light, which will cause an increased percentage of the light to be absorbed by the back polarizer. The intensity of an image may be compressed by forming an image on the light intensity compressor.

Self-consistent phonon theory of the crystallization and elasticity of attractive hard spheres.

PubMed

Shin, Homin; Schweizer, Kenneth S

2013-02-28

We propose an Einstein-solid, self-consistent phonon theory for the crystal phase of hard spheres that interact via short-range attractions. The approach is first tested against the known behavior of hard spheres, and then applied to homogeneous particles that interact via short-range square well attractions and the Baxter adhesive hard sphere model. Given the crystal symmetry, packing fraction, and strength and range of attractive interactions, an effective harmonic potential experienced by a particle confined to its Wigner-Seitz cell and corresponding mean square vibrational amplitude are self-consistently calculated. The crystal free energy is then computed and, using separate information about the fluid phase free energy, phase diagrams constructed, including a first-order solid-solid phase transition and its associated critical point. The simple theory qualitatively captures all the many distinctive features of the phase diagram (critical and triple point, crystal-fluid re-entrancy, low-density coexistence curve) as a function of attraction range, and overall is in good semi-quantitative agreement with simulation. Knowledge of the particle localization length allows the crystal shear modulus to be estimated based on elementary ideas. Excellent predictions are obtained for the hard sphere crystal. Expanded and condensed face-centered cubic crystals are found to have qualitatively different elastic responses to varying attraction strength or temperature. As temperature increases, the expanded entropic solid stiffens, while the energy-controlled, fully-bonded dense solid softens.

Inhibition of ice crystal growth in ice cream mix by gelatin hydrolysate.

PubMed

Damodaran, Srinivasan

2007-12-26

The inhibition of ice crystal growth in ice cream mix by gelatin hydrolysate produced by papain action was studied. The ice crystal growth was monitored by thermal cycling between -14 and -12 degrees C at a rate of one cycle per 3 min. It is shown that the hydrolysate fraction containing peptides in the molecular weight range of about 2000-5000 Da exhibited the highest inhibitory activity on ice crystal growth in ice cream mix, whereas fractions containing peptides greater than 7000 Da did not inhibit ice crystal growth. The size distribution of gelatin peptides formed in the hydrolysate was influenced by the pH of hydrolysis. The optimum hydrolysis conditions for producing peptides with maximum ice crystal growth inhibitory activity was pH 7 at 37 degrees C for 10 min at a papain to gelatin ratio of 1:100. However, this may depend on the type and source of gelatin. The possible mechanism of ice crystal growth inhibition by peptides from gelatin is discussed. Molecular modeling of model gelatin peptides revealed that they form an oxygen triad plane at the C-terminus with oxygen-oxygen distances similar to those found in ice nuclei. Binding of this oxygen triad plane to the prism face of ice nuclei via hydrogen bonding appears to be the mechanism by which gelatin hydrolysate might be inhibiting ice crystal growth in ice cream mix.

Experimental and theoretical investigation of the rocking curves measured for Mo K α X-ray characteristic lines in the double-crystal nondispersive scheme

NASA Astrophysics Data System (ADS)

Marchenkov, N. V.; Chukhovskii, F. N.; Blagov, A. E.

2015-03-01

The rocking curves (RCs) for Mo K α1 h Mo K α2 characteristic X-ray lines have been experimentally and theoretically studied in the nondispersive scheme of an X-ray double-crystal TPC-K diffractometer. The results of measurements and theoretical calculations of double-crystal RCs for characteristic X-rays from tubes with a molybdenum anode and different widths of slits show that a decrease in the slit width leads to an increase in the relative contribution of the Mo K α2-line RC in comparison with the intensity of the tails of the Mo K α1-line RC. It is shown that the second peak of the Mo K α2 line becomes increasingly pronounced in the tail of the Mo K α1-line RC with a decrease in the slit width. Two plane-parallel Si plates (input faces {110}, diffraction vector h <220>) were used as a monochromator crystal and a sample. The results of measuring double-crystal RCs are in good agreement with theoretical calculations.

Application of two dimensional periodic molecular dynamics to interfaces.

NASA Astrophysics Data System (ADS)

Gay, David H.; Slater, Ben; Catlow, C. Richard A.

1997-08-01

We have applied two-dimensional molecular dynamics to the surface of a crystalline aspartame and the interface between the crystal face and a solvent (water). This has allowed us to look at the dynamic processes at the surface. Understanding the surface structure and properties are important to controlling the crystal morphology. The thermodynamic ensemble was constant Number, surface Area and Temperature (NAT). The calculations have been carried out using a 2D Ewald summation and 2D periodic boundary conditions for the short range potentials. The equations of motion integration has been carried out using the standard velocity Verlet algorithm.

Acceleration Sensitivity Compensation of Crystal Resonators.

DTIC Science & Technology

1980-03-01

M . Onoe, K. Furusawa , S. Ishigami, T. Sase, and M . Sato, "Quartz Crystal Accelerometer Insensitive to...C" M L0) 40 &i 𔃼~ wat.A,~i ~ !’ ;~ 4 $. .4, 13 4 B: I r ’K4 ’K p.Is r C,- & C C) ~,-1 4-) z Ce N -4-’ U, -c a enC) 0 mIw L V a) LL p...bars") are shown as line drawings in Figures 25 and 26, respectively;77 also indicat- ed are the natural "r", " m ", and "z" faces, and the

MODES OF DEFORMATION OF BERYLLIUM AT HIGH TEMPERATURE AND RECRYSTALIZATION AFTER TWINNING (in French)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bastien, P.; Pointu, P.

1962-01-01

By light-rolling monocrystals of selected orientation, an important twinning (1012) at 1000 to 1070 deg C justifies 80% of the total deformation of the crystal. Although it is favored by crystal orientation and the speed of deformation, the appearance of twinning at the melting point is still large enough to be noticeable. One observes that the border of the twin is often wavy with relation to the inclusions and that the extremities are enlarged to give occasionally rectilinear traces according to (1010), indicating stress relaxation at the face of the twin by sliding. (N.W.R.)

Positron annihilation spectroscopy techniques applied to the study of an HPGe detector

NASA Astrophysics Data System (ADS)

Nascimento, E. do; Vanin, V. R.; Maidana, N. L.; Silva, T. F.; Rizzutto, M. A.; Fernández-Varea, J. M.

2013-05-01

Doppler Broadening Spectroscopy of the large Ge crystal of an HPGe detector was performed using positrons from pair production of 6.13 MeV γ-rays from the 19F(p,αγ)16O reaction. Two HPGe detectors facing opposite sides of the Ge crystal acting as target provided both coincidence and singles spectra. Changes in the shape of the annihilation peak were observed when the high voltage applied to the target detector was switched on or off, amounting to somewhat less than 20% when the areas of equivalent energy intervals in the corresponding normalized spectra are compared.

In situ temperature measurement of. alpha. -mercuric iodide by reflection spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nason, D.; Burger, A.

1991-12-30

Crystal face temperatures of single crystals of {alpha}-HgI{sub 2} growing in transparent ampules by physical vapor transport have been measured, {ital in} {ital situ}, by a novel, noncontact method which may be called reflectance spectroscopy thermometry. The method is based on the temperature dependence of the energy of the free-exciton peak as detected with a low-energy reflected beam. As presently configured, the accuracy is {plus minus}1.5 {degree}C for a slowly varying surface temperature. The method has potential for noncontact temperature measurement in some systems for which pyrometry is unsatisfactory.

FCC-HCP coexistence in dense thermo-responsive microgel crystals

NASA Astrophysics Data System (ADS)

Karthickeyan, D.; Joshi, R. G.; Tata, B. V. R.

2017-06-01

Analogous to hard-sphere suspensions, monodisperse thermo-responsive poly (N-isopropyl acrylamide) (PNIPAM) microgel particles beyond a volume fraction (ϕ) of 0.5 freeze into face centered cubic (FCC)-hexagonal close packed (HCP) coexistence under as prepared conditions and into an FCC structure upon annealing. We report here FCC-HCP coexistence to be stable in dense PNIPAM microgel crystals (ϕ > 0.74) with particles in their deswollen state (referred to as osmotically compressed microgel crystals) and the FCC structure with particles in their swollen state by performing annealing studies with different cooling rates. The structure of PNIPAM microgel crystals is characterized using static light scattering technique and UV-Visible spectroscopy and dynamics by dynamic light scattering (DLS). DLS studies reveal that the particle motion is diffusive at short times in crystals with ϕ < 0.74 and sub-diffusive at short times in PNIPAM crystals with ϕ > 0.74. The observed sub-diffusive behavior at short times is due to the overlap (interpenetration) of the dangling polymer chains between the shells of neighbouring PNIPAM microgel particles. Overlap is found to disappear upon heating the crystals well above their melting temperature, Tm due to reduction in the particle size. Annealing studies confirm that the overlap of dangling polymer chains between the shells of neighbouring PNIPAM spheres is responsible for the stability of FCC-HCP coexistence observed in osmotically compressed PNIPAM microgel crystals. Results are discussed in the light of recent reports of stabilizing the HCP structure in hard sphere crystals by adding interacting polymer chains.

Surface-structural Control on Minor Element Zoning and Growth Mechanism in Synthetic Magmatic Clinopyroxene

NASA Astrophysics Data System (ADS)

Paquette, J.; Deakin, M.; Baker, D. R.

2006-12-01

Because in situ observations of actively growing surfaces are technically impractical, our understanding of crystal growth mechanisms at hydrothermal and magmatic conditions lags behind that of minerals that can be grown from aqueous solutions at or near room temperature. Growing silicate minerals from hydrous synthetic carbonate melts offers the opportunity to relate directly minor element incorporation to their surface microtopography. Natural hydrothermal diopside was used to seed experiments in which synthetic clinopyroxene crystals were grown at 800 degrees C and 10 kbars for 24 hours, from alkaline melts modelled after the lavas of the Tanzanian volcano Oldoinyo Lengai. The melts were prepared from Na2CO3, K2CO3, CaCO3, MgCO3 and Fe3O4 reagents. One run was anhydrous and the others contained either 2.5 or 5 wt. % H2O. Euhedral tabular crystals ranging in size from 100 to 300 ìm across were found in all three runs, hand-picked and freed from their carbonate matrix by overnight immersion in dilute acetic acid. The crystals consist of \\{110\\} prism, \\{100\\} and \\{001\\} pinacoids and a \\{111\\} dipyramid. AFM images resolved a distinct surface microtopography on each form: arrays of broad macrosteps on \\{100\\}, lens- shaped islands on \\{001\\} facets and striated fiber-like crystallites on \\{110\\}. EMP analyses of polished grain mounts show that compositional zoning of Na and Fe occurs not only among non-equivalent growth sectors but also within single \\{100\\} sectors. Electron microprobe maps of sequentially polished sections indicate that zoning within \\{100\\} sectors reflects differential uptake of Na and Fe on symmetrically non-equivalent steps. Near the crystal surface, the non- equivalent coeval vicinal faces of growth hillocks on \\{100\\} are either diopside-like, Na.007Ca1.00(Mg0.754Fe2+0.22Mn2+0.013Al_{0.003)Si2.00O6 , or acmitic, Ca0.63Na0.35(Mg0.64Fe3+ 0.36)Al0.01Si1.99O6 in composition. Step-specific incorporation of minor elements in a clinopyroxene face has only been documented once, in a hydrothermal diopside from Orford (Quebec), where Fe(II) and Mn(II) were differentially incorporated on steps oriented parallel to [010] on \\{100\\} faces. This natural example and our synthetic crystals reflect growth regimes where minor element incorporation was limited by surface-structural kinetics rather than diffusion- controlled kinetics. Such step-specific surface-structural control has never been reported in clinopyroxenes grown from silicate melts. Is it present, but more subtle, or do silicate melts promote a significantly different growth regime? Comparing zoning patterns in synthetic silicates grown from carbonate versus silicate melts could put new constraints on current models of element partitioning.

Comparison of the structural properties of Zn-face and O-face single crystal homoepitaxial ZnO epilayers grown by RF-magnetron sputtering

NASA Astrophysics Data System (ADS)

Schifano, R.; Riise, H. N.; Domagala, J. Z.; Azarov, A. Yu.; Ratajczak, R.; Monakhov, E. V.; Venkatachalapathy, V.; Vines, L.; Chan, K. S.; Wong-Leung, J.; Svensson, B. G.

2017-01-01

Homoepitaxial ZnO growth is demonstrated from conventional RF-sputtering at 400 °C on both Zn and O polar faces of hydrothermally grown ZnO substrates. A minimum yield for the Rutherford backscattering and channeling spectrum, χmin, equal to ˜3% and ˜12% and a full width at half maximum of the 00.2 diffraction peak rocking curve of (70 ± 10) arc sec and (1400 ± 100) arc sec have been found for samples grown on the Zn and O face, respectively. The structural characteristics of the film deposited on the Zn face are comparable with those of epilayers grown by more complex techniques like molecular beam epitaxy. In contrast, the film simultaneously deposited on the O-face exhibits an inferior crystalline structure ˜0.7% strained in the c-direction and a higher atomic number contrast compared with the substrate, as revealed by high angle annular dark field imaging measurements. These differences between the Zn- and O-face films are discussed in detail and associated with the different growth mechanisms prevailing on the two surfaces.

Single crystal growth and characterization of pure and sodium-modified copper tartrate

NASA Astrophysics Data System (ADS)

Quasim, I.; Firdous, A.; Want, B.; Khosa, S. K.; Kotru, P. N.

2008-12-01

Single crystal growth of pure and modified copper tartrate crystals bearing composition (Cu) x(Na) yC 4H 4O 6· nH 2O (where x=1, 0.77, 0.65; y=0, 0.23, 0.35) is achieved using gel technique. The optimum conditions required for the growth of these crystals are worked out. The morphological development of these crystals is studied using optical and scanning electron microscopy. The dominant habit faces of the grown copper tartrate crystals are (0 0 1) and (1 1 1). Calculation of the cell parameters using CRYSFIRE software suggests that the pure copper tartrate crystal belongs to orthorhombic system with space group P2 1/c whereas the modified copper tartrate falls under tetragonal system with the space group P4 2/nbc. The external morphological development is shown to remain unaffected in the modified copper tartrate. The stoichiometric composition of the crystals is established by EDAX analysis, CH analysis, FTIR spectroscopy and thermoanalytical techniques. Thermal analysis of the grown crystals suggests that pure copper tartrate is thermally stable up to 42.84 °C whereas the modified copper tartrate crystals are stable only up to 33.11 and 25.11 °C. Calculation of the percentage weight loss from the thermogram supplemented by EDAX/CH analysis and FTIR spectroscopy suggest that the chemical formula of pure copper tartrate crystal is CuC 4H 4O 6·3H 2O whereas the chemical formula for the modified copper tartrate crystals is (Cu) 0.77(Na) 0.23C 4H 4O 6·3H 2O and (Cu) 0.65(Na) 0.35 C 4H 4O 6·H 2O.

Future float zone development in industry

NASA Technical Reports Server (NTRS)

Sandfort, R. M.

1980-01-01

The present industrial requirements for float zone silicon are summarized. Developments desired by the industry in the future are reported. The five most significant problems faced today by the float zone crystal growth method in industry are discussed. They are economic, large diameter, resistivity uniformity, control of carbon, and swirl defects.

Conservation: saving Florida's manatees

USGS Publications Warehouse

Bonde, Robert K.

2008-01-01

Robert K. Bonde of the U.S. Geological Survey writes about the protected population of manatees in Crystal River, Florida, including information about the threats they face as they migrate in and out of protected waters. Photographer Carol Grant shares images of "Angel," a newborn manatee she photographed early one winter morning.

Surface Segregation in Cu-Ni Alloys

NASA Technical Reports Server (NTRS)

Good, Brian; Bozzolo, Guillermo; Ferrante, John

1993-01-01

Monte Carlo simulation is used to calculate the composition profiles of surface segregation of Cu-Ni alloys. The method of Bozzolo, Ferrante, and Smith is used to compute the energetics of these systems as a function of temperature, crystal face, and bulk concentration. The predictions are compared with other theoretical and experimental results.

Face-specific Replacement of Calcite by Amorphous Silica Nanoparticles

NASA Astrophysics Data System (ADS)

Liesegang, M.; Milke, R.; Neusser, G.; Mizaikoff, B.

2016-12-01

Amorphous silica, composed of nanoscale spheres, is an important biomineral, alteration product of silicate rocks on the Earth's surface, and precursor material for stable silicate minerals. Despite constant progress in silica sphere synthesis, fundamental knowledge of natural silica particle interaction and ordering processes leading to colloidal crystals is absent so far. To understand the formation pathways of silica spheres in a geologic environment, we investigated silicified Cretaceous mollusk shell pseudomorphs from Coober Pedy (South Australia) using focused ion beam (FIB)-SEM tomography, petrographic microscopy, µ-XRD, and EMPA. The shells consist of replaced calcite crystals (<2 mm) composed of ordered arrays of uniform, close-packed silica spheres 300 ± 10 nm in size. Concentric layered spheres composed of 40 nm-sized subparticles provide evidence that, at least in the final stage, particle aggregation was the major sphere growth mechanism. Silica sphere arrays in periodically changing orientations perfectly replicate polysynthetic twinning planes of calcite. FIB-SEM tomography shows that cubic closed-packed sphere arrangements preserve the twin lamellae, while the twin plane consists of a submicrometer layer of randomly ordered spheres and vacancies. To transfer crystallographic information from parent to product, the advancement of synchronized dissolution and precipitation fronts along lattice planes is essential. We assume that the volume-preserving replacement process proceeds via a face-specific dissolution-precipitation mechanism with intermediate subparticle aggregation and subsequent layer-by-layer deposition of spheres along a planar surface. Porosity created during the replacement reaction allows permanent fluid access to the propagating reaction interface. Fluid pH and ionic strength remain constant throughout the replacement process, permitting continuous silica nanoparticle formation and diffusion-limited colloid aggregation. Our study provides a natural example of the transformation of an atomic crystal to an amorphous, mesoscale ordered material; thus, links the research fields of natural colloidal crystal formation, carbonate-silica replacement, and crystallization by oriented particle aggregation (CPA).

The effects of temperature and NaCl concentration on tetragonal lysozyme face growth rates

NASA Technical Reports Server (NTRS)

Forsythe, Elizabeth; Pusey, Marc Lee

1994-01-01

Measurements were made of the (110) and (101) face growth rates of the tetragonal form of hen egg white lysozyme at 0.1M sodium acetate buffer, pH 4.0, from 4 to 22 C and with 3.0%, 5.0%, and 7.0% NaCl used as the precipitating salt. The data were collected at supersaturation ratios ranging from approximately 4 to approximately 63. Both decreasing temperature and increasing salt concentrations shifted plots of the growth rate versus C/C(sat) to the right, i.e. higher supersaturations were required for comparable growth rates. The observed trends in the growth data are counter to those expected from the solubility data. If tetragonal lysozyme crystal growth is by addition of ordered aggregates from the solution, then the observed growth data could be explained as a result of the effects of lowered temperature and increased salt concentration on the kinetics and equilibrium processes governing protein-protein interactions in solution. The data indicate that temperature would be a more tractable means of controlling the growth rate for tetragonal lysozyme crystals contrary to the usual practice in, e.g., vapor diffusion protein crystal growth, where both the precipitant and protein concentrations are simultaneously increased. However, the available range for control is dependent upon the protein concentration, with the greatest growth rate control being at the lower concentration.

Influence of the pH value of a colloidal gold solution on the absorption spectra of an LSPR-assisted sensor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Jin; Li, Wenbin; Zhu, Mao

2014-03-15

The localized surface plasmon resonances (LSPRs) of gold particles assembled on a crystal plate are a powerful tool for biological sensors. Here, we prepare gold colloids in different pH solutions. We monitor the effects of the particle radius and particle coverage on the absorption spectra of AT-cut (r-face dihedral angle of about 3°) crystal plates supporting gold nanoparticles. The surface morphologies were monitored on silicon dioxide substrates using ultraviolet and visible (UV-vis) spectroscopy, and atomic force microscopy (AFM). The results showed that the gold particle coverage decreases with increasing pH value of the gold colloid solution. This phenomenon demonstrates thatmore » self-assembled gold surfaces were formed via the electrostatic adsorption of gold particles on the positively charged, ionized amino groups on the crystal plates in the acidic solution. The spectrum of gold nanoparticles with different coverage degree on the crystal plates showed that the LSPR properties are highly dependent on pH.« less

Atomically-thick two-dimensional crystals: electronic structure regulation and energy device construction.

PubMed

Sun, Yongfu; Gao, Shan; Xie, Yi

2014-01-21

Atomically-thick two-dimensional crystals can provide promising opportunities to satisfy people's requirement of next-generation flexible and transparent nanodevices. However, the characterization of these low-dimensional structures and the understanding of their clear structure-property relationship encounter many great difficulties, owing to the lack of long-range order in the third dimensionality. In this review, we survey the recent progress in fine structure characterization by X-ray absorption fine structure spectroscopy and also overview electronic structure modulation by density-functional calculations in the ultrathin two-dimensional crystals. In addition, we highlight their structure-property relationship, transparent and flexible device construction as well as wide applications in photoelectrochemical water splitting, photodetectors, thermoelectric conversion, touchless moisture sensing, supercapacitors and lithium ion batteries. Finally, we outline the major challenges and opportunities that face the atomically-thick two-dimensional crystals. It is anticipated that the present review will deepen people's understanding of this field and hence contribute to guide the future design of high-efficiency energy-related devices.

A unified picture of the crystal structures of metals

NASA Astrophysics Data System (ADS)

Söderlind, Per; Eriksson, Olle; Johansson, Börje; Wills, J. M.; Boring, A. M.

1995-04-01

THE crystal structures of the light actinides have intrigued physicists and chemists for several decades1. Simple metals and transition metals have close-packed, high-symmetry structures, such as body-centred cubic, face-centred cubic and hexagonal close packing. In contrast, the structures of the light actinides are very loosely packed and of low symmetry-tetragonal, orthorhombic and monoclinic. To understand these differences, we have performed total-energy calculations, as a function of volume, for both high-and low-symmetry structures of a simple metal (aluminium), a non-magnetic transition metal (niobium), a ferromagnetic transition metal (iron) and a light actinide (uranium). We find that the crystal structure of all of these metals is determined by the balance between electrostatic (Madelung) interactions, which favour high symmetry, and a Peierls distortion of the crystal lattice, which favours low symmetry. We show that simple metals and transition metals can adopt low-symmetry structures on expansion of the lattice; and we predict that, conversely, the light actinides will undergo transitions to structures of higher symmetry on compression.

Dynamic Properties of DNA-Programmable Nanoparticle Crystallization.

PubMed

Yu, Qiuyan; Zhang, Xuena; Hu, Yi; Zhang, Zhihao; Wang, Rong

2016-08-23

The dynamics of DNA hybridization is very important in DNA-programmable nanoparticle crystallization. Here, coarse-grained molecular dynamics is utilized to explore the structural and dynamic properties of DNA hybridizations for a self-complementary DNA-directed nanoparticle self-assembly system. The hexagonal close-packed (HCP) and close-packed face-centered cubic (FCC) ordered structures are identified for the systems of different grafted DNA chains per nanoparticle, which are in good agreement with the experimental results. Most importantly, the dynamic crystallization processes of DNA hybridizations are elucidated by virtue of the mean square displacement, the percentage of hybridizations, and the lifetime of DNA bonds. The lifetime can be modeled by the DNA dehybridization, which has an exponential form. The lifetime of DNA bonds closely depends on the temperature. A suitable temperature for the DNA-nanoparticle crystallization is obtained in the work. Moreover, a too large volume fraction hinders the self-assembly process due to steric effects. This work provides some essential information for future design of nanomaterials.

Reevaluation of the plant "gemstones": Calcium oxalate crystals sustain photosynthesis under drought conditions.

PubMed

Tooulakou, Georgia; Giannopoulos, Andreas; Nikolopoulos, Dimosthenis; Bresta, Panagiota; Dotsika, Elissavet; Orkoula, Malvina G; Kontoyannis, Christos G; Fasseas, Costas; Liakopoulos, Georgios; Klapa, Maria I; Karabourniotis, George

2016-09-01

Land plants face the perpetual dilemma of using atmospheric carbon dioxide for photosynthesis and losing water vapors, or saving water and reducing photosynthesis and thus growth. The reason behind this dilemma is that this simultaneous exchange of gases is accomplished through the same minute pores on leaf surfaces, called stomata. In a recent study we provided evidence that pigweed, an aggressive weed, attenuates this problem exploiting large crystals of calcium oxalate as dynamic carbon pools. This plant is able to photosynthesize even under drought conditions, when stomata are closed and water losses are limited, using carbon dioxide from crystal decomposition instead from the atmosphere. Abscisic acid, an alarm signal that causes stomatal closure seems to be implicated in this function and for this reason we named this path "alarm photosynthesis." The so-far "enigmatic," but highly conserved and widespread among plant species calcium oxalate crystals seem to play a crucial role in the survival of plants.

Reevaluation of the plant “gemstones”: Calcium oxalate crystals sustain photosynthesis under drought conditions

PubMed Central

Tooulakou, Georgia; Giannopoulos, Andreas; Nikolopoulos, Dimosthenis; Bresta, Panagiota; Dotsika, Elissavet; Orkoula, Malvina G.; Kontoyannis, Christos G.; Fasseas, Costas; Liakopoulos, Georgios; Klapa, Maria I.; Karabourniotis, George

2016-01-01

ABSTRACT Land plants face the perpetual dilemma of using atmospheric carbon dioxide for photosynthesis and losing water vapors, or saving water and reducing photosynthesis and thus growth. The reason behind this dilemma is that this simultaneous exchange of gases is accomplished through the same minute pores on leaf surfaces, called stomata. In a recent study we provided evidence that pigweed, an aggressive weed, attenuates this problem exploiting large crystals of calcium oxalate as dynamic carbon pools. This plant is able to photosynthesize even under drought conditions, when stomata are closed and water losses are limited, using carbon dioxide from crystal decomposition instead from the atmosphere. Abscisic acid, an alarm signal that causes stomatal closure seems to be implicated in this function and for this reason we named this path “alarm photosynthesis.” The so-far “enigmatic,” but highly conserved and widespread among plant species calcium oxalate crystals seem to play a crucial role in the survival of plants. PMID:27471886

Electron-irradiation-induced crystallization at metallic amorphous/silicon oxide interfaces caused by electronic excitation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nagase, Takeshi, E-mail: t-nagase@uhvem.osaka-u.ac.jp; Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University, 2-1, Yamada-Oka, Suita, Osaka 565-0871; Yamashita, Ryo

2016-04-28

Irradiation-induced crystallization of an amorphous phase was stimulated at a Pd-Si amorphous/silicon oxide (a(Pd-Si)/SiO{sub x}) interface at 298 K by electron irradiation at acceleration voltages ranging between 25 kV and 200 kV. Under irradiation, a Pd-Si amorphous phase was initially formed at the crystalline face-centered cubic palladium/silicon oxide (Pd/SiO{sub x}) interface, followed by the formation of a Pd{sub 2}Si intermetallic compound through irradiation-induced crystallization. The irradiation-induced crystallization can be considered to be stimulated not by defect introduction through the electron knock-on effects and electron-beam heating, but by the electronic excitation mechanism. The observed irradiation-induced structural change at the a(Pd-Si)/SiO{sub x} and Pd/SiO{sub x}more » interfaces indicates multiple structural modifications at the metal/silicon oxide interfaces through electronic excitation induced by the electron-beam processes.« less

De-vitrification of nanoscale phase-separated amorphous thin films in the immiscible copper-niobium system

NASA Astrophysics Data System (ADS)

Puthucode, A.; Devaraj, A.; Nag, S.; Bose, S.; Ayyub, P.; Kaufman, M. J.; Banerjee, R.

2014-05-01

Copper and niobium are mutually immiscible in the solid state and exhibit a large positive enthalpy of mixing in the liquid state. Using vapour quenching via magnetron co-sputter deposition, far-from equilibrium amorphous Cu-Nb films have been deposited which exhibit a nanoscale phase separation. Annealing these amorphous films at low temperatures (~200 °C) initiates crystallization via the nucleation and growth of primary nanocrystals of a face-centred cubic Cu-rich phase separated by the amorphous matrix. Interestingly, subsequent annealing at a higher temperature (>300 °C) leads to the polymorphic nucleation and growth of large spherulitic grains of a body-centred cubic Nb-rich phase within the retained amorphous matrix of the partially crystallized film. This sequential two-stage crystallization process has been investigated in detail by combining transmission electron microscopy [TEM] (including high-resolution TEM) and atom probe tomography studies. These results provide new insights into the crystallization behaviour of such unusual far-from equilibrium phase-separated metallic glasses in immiscible systems.

Crystallization, structure and dynamics of the proton-translocating P-type ATPase.

PubMed

Scarborough, G A

2000-01-01

Large single three-dimensional crystals of the dodecylmaltoside complex of the Neurospora crassa plasma membrane H(+)-ATPase (H(+) P-ATPase) can be grown in polyethylene-glycol-containing solutions optimized for moderate supersaturation of both the protein surfaces and detergent micellar region. Large two-dimensional H(+) P-ATPase crystals also grow on the surface of such mixtures and on carbon films located at such surfaces. Electron crystallographic analysis of the two-dimensional crystals grown on carbon films has recently elucidated the structure of the H(+) P-ATPase at a resolution of 0.8 nm in the membrane plane. The two-dimensional crystals comprise two offset layers of ring-shaped ATPase hexamers with their exocytoplasmic surfaces face to face. Side-to-side interactions between the cytoplasmic regions of the hexamers in each layer can be seen, and an interaction between identical exocytoplasmic loops in opposing hexamer layers holds the two layers together. Detergent rings around the membrane-embedded region of the hexamers are clearly visible, and detergent-detergent interactions between the rings are also apparent. The crystal packing forces thus comprise both protein-protein and detergent-detergent interactions, supporting the validity of the original crystallization strategy. Ten transmembrane helices in each ATPase monomer are well-defined in the structure map. They are all relatively straight, closely packed, moderately tilted at various angles with respect to a plane normal to the membrane surface and average approximately 3.5 nm in length. The transmembrane helix region is connected in at least three places to the larger cytoplasmic region, which comprises several discrete domains separated by relatively wide, deep clefts. Previous work has shown that the H(+) P-ATPase undergoes substantial conformational changes during its catalytic cycle that are not changes in secondary structure. Importantly, the results of hydrogen/deuterium exchange experiments indicate that these conformational changes are probably rigid-body interdomain movements that lead to cleft closure. When interpreted within the framework of established principles of enzyme catalysis, this information on the structure and dynamics of the H(+) P-ATPase molecule provides the basis of a rational model for the sequence of events that occurs as the ATPase proceeds through its transport cycle. The forces that drive the sequence can also be clearly stipulated. However, an understanding of the molecular mechanism of ion transport catalyzed by the H(+) P-ATPase awaits an atomic resolution structure.

Current-direction dependence of the transport properties in single-crystalline face-centered-cubic cobalt films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xiao, X.; Liang, J. H.; Chen, B. L.

2015-07-28

Face-centered-cubic cobalt films are epitaxially grown on insulating LaAlO{sub 3}(001) substrates by molecular beam epitaxy. Transport measurements are conducted in different current directions relative to the crystal axes. We find that the temperature dependent anisotropic magnetoresistance ratio strongly depends on the current direction. However, the anomalous Hall effect shows isotropic behavior independent of the current direction. Our results demonstrate the interplay between the current direction and the crystalline lattice in single-crystalline ferromagnetic films. A phenomenological analysis is presented to interpret the experimental data.

Highly Symmetric and Congruently Tiled Meshes for Shells and Domes

PubMed Central

Rasheed, Muhibur; Bajaj, Chandrajit

2016-01-01

We describe the generation of all possible shell and dome shapes that can be uniquely meshed (tiled) using a single type of mesh face (tile), and following a single meshing (tiling) rule that governs the mesh (tile) arrangement with maximal vertex, edge and face symmetries. Such tiling arrangements or congruently tiled meshed shapes, are frequently found in chemical forms (fullerenes or Bucky balls, crystals, quasi-crystals, virus nano shells or capsids), and synthetic shapes (cages, sports domes, modern architectural facades). Congruently tiled meshes are both aesthetic and complete, as they support maximal mesh symmetries with minimal complexity and possess simple generation rules. Here, we generate congruent tilings and meshed shape layouts that satisfy these optimality conditions. Further, the congruent meshes are uniquely mappable to an almost regular 3D polyhedron (or its dual polyhedron) and which exhibits face-transitive (and edge-transitive) congruency with at most two types of vertices (each type transitive to the other). The family of all such congruently meshed polyhedra create a new class of meshed shapes, beyond the well-studied regular, semi-regular and quasi-regular classes, and their duals (platonic, Catalan and Johnson). While our new mesh class is infinite, we prove that there exists a unique mesh parametrization, where each member of the class can be represented by two integer lattice variables, and moreover efficiently constructable. PMID:27563368

Ultrahigh strength single crystalline nanowhiskers grown by physical vapor deposition.

PubMed

Richter, Gunther; Hillerich, Karla; Gianola, Daniel S; Mönig, Reiner; Kraft, Oliver; Volkert, Cynthia A

2009-08-01

The strength of metal crystals is reduced below the theoretical value by the presence of dislocations or by flaws that allow easy nucleation of dislocations. A straightforward method to minimize the number of defects and flaws and to presumably increase its strength is to increase the crystal quality or to reduce the crystal size. Here, we describe the successful fabrication of high aspect ratio nanowhiskers from a variety of face-centered cubic metals using a high temperature molecular beam epitaxy method. The presence of atomically smooth, faceted surfaces and absence of dislocations is confirmed using transmission electron microscopy investigations. Tensile tests performed in situ in a focused-ion beam scanning electron microscope on Cu nanowhiskers reveal strengths close to the theoretical upper limit and confirm that the properties of nanomaterials can be engineered by controlling defect and flaw densities.

HAFNIAN ZIRCONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

von Knorring, O.; Hornung, G.

1961-06-17

Two hafnia zircons were examined in detail, one from Mtoko in Southern Rhodesia, containing 21% HfO/sub 2/, and the other from Karibib in South-West Africa, with 31% HfO/sub 2/. In both cases the zircons are associated with the later tantalum-rich phase of mineralization. The Mtoko zircon forms small, mauve- colored, independent crystals in the albitic zone of the pegmatite. The zircon from Karibib occurs in larger reddish-brown masses, partly intergrown with minute manganotantalite crystals and set in a matrix of lithium-bearing mica, albite, quartz and kaolinized feldspar. Some crystals show dominant pyramid faces, with a suppressed prism. Both zircons exhibitmore » an intense golden-yellow fluorescence in UV light. The zircon from Karibib was found to be only weakly radioactive. Data are given concerning various properties of the two zircons. (P.C.H.)« less

Formation of a Tropopause Cirrus Layer Observed over Florida during CRYSTAL-FACE

NASA Technical Reports Server (NTRS)

Jensen, Eric; Pfister, Leonhard; Bui, Thaopaul; Weinheimer, Andrew; Weinstock, Elliot; Smith, Jessica; Pittman, Jasna; Baumgardner, Darrel; Lawson, Paul; McGill, Matthew J.

2005-01-01

On July 13, 2002 a widespread, subvisible tropopause cirrus layer occurred over the Florida region. This cloud was observed in great detail with the NASA Cirrus Regional Study of Tropical Anvils and Cirrus Layers-Florida Area Cirrus Experiment (CRYSTAL-FACE) instrumentation, including in situ measurements with the WB-57 aircraft. In this paper, we use the 13 July cloud as a case study to evaluate the physical processes controlling the formation and evolution of tropopause cirrus layers. Microphysics measurements indicate that ice crystal diameters in the cloud layer ranged from about 7 to 50 microns, and the peak number mode was about 10-25 microns. In situ water vapor and temperature measurements in the cloud indicated supersaturation with respect to ice throughout, with ice saturation ratios as large as 1.8. Even when the ice surface area density was as high as about 500 sq microns/cu cm, ice supersaturations of 20-30% were observed. Trajectory analysis shows that the air sampled near the tropopause on this day generally came from the north and cooled considerably during the previous few days. Examination of infrared satellite imagery along air parcel back trajectories from the WB-57 flight track indicates that the tropopause cloud layer formation was, in general, not simply left over ice from recently generated anvil cirrus. Simulations of cloud formation using time-height curtains of temperature along the trajectory paths show that the cloud could have formed in situ near the tropopause as the air was advected into the south Florida region and cooled to unusually low temperatures. If we assume a high threshold for ice nucleation via homogeneous freezing of aqueous sulfate aerosols, the model reproduces the observed cloud structure, ice crystal size distributions, and ice supersaturation statistics. Inclusion of observed gravity wave temperature perturbations in the simulations is essential to reproduce the observed cloud properties. Without waves, crystal number densities are too low, crystal sizes are too large, and the crystals fall out too fast, leaving very little cloud persisting at the end of the simulations. In the cloud simulations, coincidence of high supersaturations and high surface areas can be produced by either recent nucleation or sedimentation of crystals into supersaturated layers. The agreement between model results and observed supersaturations is improved somewhat if we assume that the steady state relative humidity within cirrus at T<200 K is enhanced by about 30%. The WB-57 measurements and the model results suggest that the cloud layer irreversibly dehydrated air near the tropopause.

A Successful Synthesis of the CoCrFeNiAl0.3 Single-Crystal, High-Entropy Alloy by Bridgman Solidification

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ma, S. G.; Zhang, S. F.; Gao, M. C.

2013-08-22

For the first time, a face-centered-cubic, single-crystal CoCrFeNiAl{sub 0.3} (designated as Al0.3), high-entropy alloy (HEA) was successfully synthesized by the Bridgman solidification (BS) method, at an extremely low withdrawal velocity through a constant temperature gradient, for which it underwent two BS steps. Specially, at the first BS step, the alloy sample underwent several morphological transitions accompanying the crystal growth from the melt. This microstructure evolves from as-cast dendrites, to equiaxed grains, and then to columnar crystals, and last to the single crystal. In particular, at the equiaxed-grain region, some visible annealing twins were observed, which indicates a low stacking faultmore » energy of the Al0.3 alloy. Although a body-centered- cubic CoCrFeNiAl (Al1) HEA was also prepared under the same conditions, only a single columnar-crystal structure with instinctively preferential crystallographic orientations was obtained by the same procedure. A similar morphological transition from dendrites to equiaxed grains occurred at the equiaxed-grain region in Al1 alloy, but the annealing twins were not observed probably because a higher Al addition leads to a higher stacking fault energy for this alloy.« less

Basic ammonothermal GaN growth in molybdenum capsules

NASA Astrophysics Data System (ADS)

Pimputkar, S.; Speck, J. S.; Nakamura, S.

2016-12-01

Single crystal, bulk gallium nitride (GaN) crystals were grown using the basic ammonothermal method in a high purity growth environment created using a non-hermetically sealed molybdenum (Mo) capsule and compared to growths performed in a similarly designed silver (Ag) capsule and capsule-free René 41 autoclave. Secondary ion mass spectrometry (SIMS) analysis revealed transition metal free (<1×1017 cm-3) GaN crystals. Anomalously low oxygen concentrations ((2-6)×1018 cm-3) were measured in a {0001} seeded crystal boule grown using a Mo capsule, despite higher source material oxygen concentrations ((1-5)×1019 cm-3) suggesting that molybdenum (or molybdenum nitrides) may act to getter oxygen under certain conditions. Total system pressure profiles from growth runs in a Mo capsule system were comparable to those without a capsule, with pressures peaking within 2 days and slowly decaying due to hydrogen diffusional losses. Measured Mo capsule GaN growth rates were comparable to un-optimized growth rates in capsule-free systems and appreciably slower than in Ag-capsule systems. Crystal quality replicated that of the GaN seed crystals for all capsule conditions, with high quality growth occurring on the (0001) Ga-face. Optical absorption and impurity concentration characterization suggests reduced concentrations of hydrogenated gallium vacancies (VGa-Hx).

SIMULATION STUDIES OF THE WETTING OF CRYSTALLINE FACES OF COTTON CELLULOSE

USDA-ARS?s Scientific Manuscript database

Models of the surfaces of nano-sized cellulose crystals were constructed and a model droplet of water was placed on each. Then, the model atoms were given motion that corresponds to room temperature (a molecular dynamics simulation), and the spreading of the water over the surfaces was studied. Besi...

Texture evolution and mechanical behaviour of irradiated face-centred cubic metals

NASA Astrophysics Data System (ADS)

Chen, L. R.; Xiao, X. Z.; Yu, L.; Chu, H. J.; Duan, H. L.

2018-02-01

A physically based theoretical model is proposed to investigate the mechanical behaviour and crystallographic texture evolution of irradiated face-centred cubic metals. This model is capable of capturing the main features of irradiated polycrystalline materials including irradiation hardening, post-yield softening and plasticity localization. Numerical results show a good agreement with experimental data for both unirradiated and irradiated stress-strain relationships. The study of crystallographic texture reveals that the initial randomly distributed texture of unirradiated metals under tensile loading can evolve into a mixture of [111] and [100] textures. Regarding the irradiated case, crystallographic texture develops in a different way, and an extra part of [110] texture evolves into [100] and [111] textures. Thus, [100] and [111] textures become dominant more quickly compared with those of the unirradiated case for the reason that [100] and [111]-oriented crystals have higher strength, and their plastic deformation behaviours are more active than other oriented crystals. It can be concluded that irradiation-induced defects can affect both the mechanical behaviour and texture evolution of metals, both of which are closely related to irradiation hardening.

Extinction coefficients from lidar observations in ice clouds compared to in-situ measurements from the Cloud Integrating Nephelometer during CRYSTAL-FACE

NASA Technical Reports Server (NTRS)

Noel, Vincent; Winker, D. M.; Garrett, T. J.; McGill, M.

2005-01-01

This paper presents a comparison of volume extinction coefficients in tropical ice clouds retrieved from two instruments : the 532-nm Cloud Physics Lidar (CPL), and the in-situ probe Cloud Integrating Nephelometer (CIN). Both instruments were mounted on airborne platforms during the CRYSTAL-FACE campaign and took measurements in ice clouds up to 17km. Coincident observations from three cloud cases are compared : one synoptically-generated cirrus cloud of low optical depth, and two ice clouds located on top of convective systems. Emphasis is put on the vertical variability of the extinction coefficient. Results show small differences on small spatial scales (approx. 100m) in retrievals from both instruments. Lidar retrievals also show higher extinction coefficients in the synoptic cirrus case, while the opposite tendency is observed in convective cloud systems. These differences are generally variations around the average profile given by the CPL though, and general trends on larger spatial scales are usually well reproduced. A good agreement exists between the two instruments, with an average difference of less than 16% on optical depth retrievals.

Photorefractive waveguides in oxide crystals: fabrication, properties, and applications

NASA Astrophysics Data System (ADS)

Kip, D.

1998-08-01

In several oxide crystals the refractive index can be changed by inhomogeneous illumination, and these photorefractive properties have allowed for a wide variety of applications in optical data storage and dynamic holography. The high light intensities that are inherent in waveguide geometries make it relatively easy to observe photorefractive effects in waveguide structures, too. On the one hand, these effects are feared as optical damage, as they can degrade the performance of integrated optical devices. On the other hand, optical wave mixing in photorefractive waveguides is of considerable interest for the development of nonlinear optical components. A review of the results of recent research on the fabrication, investigation, and applications of photorefractive waveguides is given. The formation and photorefractive properties of LiNbO3, LiTaO3, BaTiO3, KNbO3, SrxBa1-xNb2O6 (0.25hxА.75, SBN), and Bi12(Si,Ti,Ge)O20 (BSO, BTO, BGO) waveguides are discussed. Furthermore, the suitability of photorefractive waveguides for nonlinear optical components is demonstrated in some examples.