Rapid and reversible photoinduced switching of a rotaxane crystal

NASA Astrophysics Data System (ADS)

Chen, Kai-Jen; Tsai, Ya-Ching; Suzaki, Yuji; Osakada, Kohtaro; Miura, Atsushi; Horie, Masaki

2016-11-01

Crystalline phase transitions caused by external stimuli have been used to detect physical changes in the solid-state properties. This study presents the mechanical switching of crystals of ferrocene-containing rotaxane controlled by focused laser light. The expansion and contraction of the crystals can be driven by turning on and off laser light at 445 nm. The irradiation-induced expansion of the crystal involves elongation along the a, b and c axes at 30 °C, whereas heating of the crystal at 105 °C causes the shortening of c axis. The expansions reversibly occur and have the advantage of a rapid relaxation (reverse) process. Single-crystal X-ray crystallography reveals the detailed structural changes of the molecules, corresponding to a change in the size of the crystals on laser irradiation. This molecular crystal behaviour induced by laser irradiation, is demonstrated for the remote control of objects, namely, microparticle transport and microswitching in an electric circuit.

Transition of vertically aligned liquid crystal driven by fan-shaped electric field

NASA Astrophysics Data System (ADS)

Tsung, J. W.; Ting, T. L.; Chen, C. Y.; Liang, W. L.; Lai, C. W.; Lin, T. H.; Hsu, W. H.

2017-09-01

Interdigital electrodes are implemented in many commercial and novel liquid crystal devices to align molecules. Although many empirical principles and patents apply to electrode design, only a few numerical simulations of alignment have been conducted. Why and how the molecules align in an ordered manner has never been adequately explained. Hence, this investigation addresses the Fréedericksz transition of vertically aligned liquid crystal that is driven by fishbone electrodes, and thereafter identifies the mechanism of liquid crystal alignment. Theoretical calculations suggest that the periodic deformation that is caused by the fan-shaped fringe field minimizes the free energy in the liquid crystal cell, and the optimal alignment can be obtained when the cell parameters satisfy the relation p /2 d =√{k11/k33 } , where p is the spatial period of the strips of the electrode; d denotes the cell gap; and k11 and k33 are the splay and bend elastic constants of the liquid crystal, respectively. Polymer-stabilized vertical alignment test cells with various p values and spacings between the electrodes were fabricated, and the process of liquid crystal alignment was observed under an optical microscope. The degree of alignment was evaluated by measuring the transmittance of the test cell. The experimental results were consistent with the theoretical predictions. The principle of design, p /2 d =√{k11/k33 } , greatly improves the uniformity and stability of the aligned liquid crystal. The methods that are presented here can be further applied to cholesteric liquid crystal and other self-assembled soft materials.

Thermally Driven Photonic Actuator Based on Silica Opal Photonic Crystal with Liquid Crystal Elastomer.

PubMed

Xing, Huihui; Li, Jun; Shi, Yang; Guo, Jinbao; Wei, Jie

2016-04-13

We have developed a novel thermoresponsive photonic actuator based on three-dimensional SiO2 opal photonic crystals (PCs) together with liquid crystal elastomers (LCEs). In the process of fabrication of such a photonic actuator, the LCE precursor is infiltrated into the SiO2 opal PC followed by UV light-induced photopolymerization, thereby forming the SiO2 opal PC/LCE composite film with a bilayer structure. We find that this bilayer composite film simultaneously exhibits actuation behavior as well as the photonic band gap (PBG) response to external temperature variation. When the SiO2 opal PC/LCE composite film is heated, it exhibits a considerable bending deformation, and its PBG shifts to a shorter wavelength at the same time. In addition, this actuation is quite fast, reversible, and highly repeatable. The thermoresponsive behavior of the SiO2 opal PC/LCE composite films mainly derives from the thermal-driven change of nematic order of the LCE layer which leads to the asymmetric shrinkage/expansion of the bilayer structure. These results will be of interest in designing optical actuator systems for environment-temperature detection.

Solubility- and temperature-driven thin film structures of polymeric thiophene derivatives for high performance OFET applications

NASA Astrophysics Data System (ADS)

LeFevre, Scott W.; Bao, Zhenan; Ryu, Chang Y.; Siegel, Richard W.; Yang, Hoichang

2007-09-01

It has been shown that high charge mobility in solution-processible organic semiconductor-based field effect transistors is due in part to a highly parallel π-π stacking plane orientation of the semiconductors with respect to gate-dielectric. Fast solvent evaporation methods, generally, exacerbate kinetically random crystal orientations in the films deposited, specifically, from good solvents. We have investigated solubility-driven thin film structures of thiophene derivative polymers via spin- and drop-casting with volatile solvents of a low boiling point. Among volatile solvents examined, marginal solvents, which have temperature-dependent solubility for the semiconductors (e.g. methylene chloride for regioregular poly(3-alkylthiophene)s), can be used to direct the favorable crystal orientation regardless of solvent drying time, when the temperature of gate-dielectrics is held to relatively cooler than the warm solution. Grazing-incidence X-ray diffraction and atomic force microscopy strongly support that significant control of crystal orientation and mesoscale morphology using a "cold" substrate holds true for both drop and spin casting. The effects of physiochemical post-modificaiton on film crystal structures and morphologies of poly(9,9-dioctylfluorene-co-bithiophene) have also been investigated.

Design of Ceramic Springs for Use in Semiconductor Crystal Growth in Microgravity

NASA Technical Reports Server (NTRS)

Kaforey, M. F.; Deeb, C. W.; Matthiesen, D. H.

1999-01-01

Segregation studies can be done in microgravity to reduce buoyancy driven convection and investigate diffusion-controlled growth during the growth of semiconductor crystals. During these experiments, it is necessary to prevent free surface formation in order to avoid surface tension driven convection (Marangoni convection). Semiconductor materials such as gallium arsenide and germanium shrink upon melting, so a spring is necessary to reduce the volume of the growth chamber and prevent the formation of a free surface when the sample melts. A spring used in this application must be able to withstand both the high temperature and the processing atmosphere. During the growth of gallium arsenide crystals during the GTE Labs/USAF/NASA GaAs GAS Program and during the CWRU GaAs programs aboard the First and Second United States microgravity Laboratories, springs made of pyrolytic boron nitride (PBN) leaves were used. The mechanical properties of these PBN springs have been investigated and springs having spring constants ranging from 0.25 N/mm to 25 N/mm were measured. With this improved understanding comes the ability to design springs for more general applications, and guidelines are given for optimizing the design of PBN springs for crystal growth applications.

Vapor Growth of Binary and Ternary Chalcogenides in Preparation for Microgravity Experiments

NASA Technical Reports Server (NTRS)

Su, C.; Whitaker, Ann F. (Technical Monitor)

2001-01-01

In the bulk crystal growth of some technologically important semiconducting chalcopyrites, such as ZnTe, CdS, ZnSe and ZnS, vapor growth techniques have significant advantages over melt growth techniques due to the high melting points of these materials. The realization of routine production of high-quality single crystals of these semiconductors requires a fundamental, systematic and in-depth study on the PVT growth process and crystal growth by vapor transport in low gravity offers a set of unique conditions for this study. Previously, two reasons have been put forward to account for this. The first is weight-related reductions in crystal strain and defects. These are thought to be caused by the weight of the crystals during processing at elevated temperatures and retained on cooling, particularly for materials with a low yield strength. The second, and more general, reason is related to the reduction in density-gradient driven convection. The PVT crystal growth process consists of essentially three processes: sublimation of the source material, transport of the vapor species and condensation of the vapor species to form the crystal. The latter two processes can be affected by the convection caused by gravitational accelerations on Earth. Reductions in such convection in low gravity is expected to yield a nearly diffusion-limited growth condition which results in more uniform growth rates (on the microscopic scale) and hence greater crystalline perfection and compositional homogeneity. The reduction of convective contamination by performing flight experiments in a reduced gravity environment will help to understand the relation between fluid phase processes (growth parameters) and defect and impurity incorporation in grown crystals.

Entropy-driven crystal formation on highly strained substrates

PubMed Central

Savage, John R.; Hopp, Stefan F.; Ganapathy, Rajesh; Gerbode, Sharon J.; Heuer, Andreas; Cohen, Itai

2013-01-01

In heteroepitaxy, lattice mismatch between the deposited material and the underlying surface strongly affects nucleation and growth processes. The effect of mismatch is well studied in atoms with growth kinetics typically dominated by bond formation with interaction lengths on the order of one lattice spacing. In contrast, less is understood about how mismatch affects crystallization of larger particles, such as globular proteins and nanoparticles, where interparticle interaction energies are often comparable to thermal fluctuations and are short ranged, extending only a fraction of the particle size. Here, using colloidal experiments and simulations, we find particles with short-range attractive interactions form crystals on isotropically strained lattices with spacings significantly larger than the interaction length scale. By measuring the free-energy cost of dimer formation on monolayers of increasing uniaxial strain, we show the underlying mismatched substrate mediates an entropy-driven attractive interaction extending well beyond the interaction length scale. Remarkably, because this interaction arises from thermal fluctuations, lowering temperature causes such substrate-mediated attractive crystals to dissolve. Such counterintuitive results underscore the crucial role of entropy in heteroepitaxy in this technologically important regime. Ultimately, this entropic component of lattice mismatched crystal growth could be used to develop unique methods for heterogeneous nucleation and growth of single crystals for applications ranging from protein crystallization to controlling the assembly of nanoparticles into ordered, functional superstructures. In particular, the construction of substrates with spatially modulated strain profiles would exploit this effect to direct self-assembly, whereby nucleation sites and resulting crystal morphology can be controlled directly through modifications of the substrate. PMID:23690613

Photonic Crystal Enhanced Fluorescence for Early Breast Cancer Biomarker Detection

PubMed Central

Cunningham, Brian T.; Zangar, Richard C.

2013-01-01

Photonic crystal surfaces offer a compelling platform for improving the sensitivity of surface-based fluorescent assays used in disease diagnostics. Through the complementary processes of photonic crystal enhanced excitation and enhanced extraction, a periodic dielectric-based nanostructured surface can simultaneously increase the electric field intensity experienced by surface-bound fluorophores and increase the collection efficiency of emitted fluorescent photons. Through the ability to inexpensively fabricate photonic crystal surfaces over substantial surface areas, they are amenable to single-use applications in biological sensing, such as disease biomarker detection in serum. In this review, we will describe the motivation for implementing high-sensitivity, multiplexed biomarker detection in the context of breast cancer diagnosis. We will summarize recent efforts to improve the detection limits of such assays though the use of photonic crystal surfaces. Reduction of detection limits is driven by low autofluorescent substrates for photonic crystal fabrication, and detection instruments that take advantage of their unique features. PMID:22736539

Comparative study of blue laser diode driven cerium-doped single crystal phosphors in application of high-power lighting and display technologies

NASA Astrophysics Data System (ADS)

Balci, Mustafa H.; Chen, Fan; Cunbul, A. Burak; Svensen, Øyvind; Akram, M. Nadeem; Chen, Xuyuan

2018-02-01

Cerium-doped single crystals (Ce:LuAG, Ce:YAG, Ce:GAGG, Ce:GdYAG) have been investigated as stationary phosphor candidates for blue laser driven solid-state lighting without heat sink. The luminous properties of the single crystals are superior compared to the commercial ceramic powder phosphor wheels (Ce3+: Y3Al5O12). The high-power blue laser diode driven temperature increase of the crystals versus quantum efficiency is experimentally measured and discussed. We have carried out realistic measurements at high excitation power levels and at high temperatures. Limitation of phosphors as stationary sources is determined for commercial usage. The measurements were done without any heat sink to see the relative comparison of SCPs in the worst-case scenarios. The results indicate that Gd and Ga addition decreases the luminescence quenching temperature. Based on their superior properties, these single crystals can serve as potential phosphor candidates for high-power blue diode laser driven picture projectors for the green and red channels.

Melt segregation from silicic crystal mushes: a critical appraisal of possible mechanisms and their microstructural record

NASA Astrophysics Data System (ADS)

Holness, Marian B.

2018-06-01

One of the outstanding problems in understanding the behavior of intermediate-to-silicic magmatic systems is the mechanism(s) by which large volumes of crystal-poor rhyolite can be extracted from crystal-rich mushy storage zones in the mid-deep crust. The mechanisms commonly invoked are hindered settling, micro-settling, and compaction. The concept of micro-settling involves extraction of grains from a crystal framework during Ostwald ripening and has been shown to be non-viable in the metallic systems for which it was originally proposed. Micro-settling is also likely to be insignificant in silicic mushes, because ripening rates are slow for quartz and plagioclase, contact areas between grains in a crystal mush are likely to be large, and abundant low-angle grain boundaries promote grain coalescence rather than ripening. Published calculations of melt segregation rates by hindered settling (Stokes settling in a crystal-rich system) neglect all but fluid dynamical interactions between particles. Because tabular silicate minerals are likely to form open, mechanically coherent, frameworks at porosities as high as 75%, settling of single crystals is only likely in very melt-rich systems. Gravitationally-driven viscous compaction requires deformation of crystals by either dissolution-reprecipitation or dislocation creep. There is, as yet, no reported microstructural evidence of extensive, syn-magmatic, internally-generated, viscous deformation in fully solidified silicic plutonic rocks. If subsequent directed searches do not reveal clear evidence for internally-generated buoyancy-driven melt segregation processes, it is likely that other factors, such as rejuvenation by magma replenishment, gas filter-pressing, or externally-imposed stress during regional deformation, are required to segregate large volumes of crystal-poor rhyolitic liquids from crustal mushy zones.

Investigation of KDP crystal surface based on an improved bidimensional empirical mode decomposition method

NASA Astrophysics Data System (ADS)

Lu, Lei; Yan, Jihong; Chen, Wanqun; An, Shi

2018-03-01

This paper proposed a novel spatial frequency analysis method for the investigation of potassium dihydrogen phosphate (KDP) crystal surface based on an improved bidimensional empirical mode decomposition (BEMD) method. Aiming to eliminate end effects of the BEMD method and improve the intrinsic mode functions (IMFs) for the efficient identification of texture features, a denoising process was embedded in the sifting iteration of BEMD method. With removing redundant information in decomposed sub-components of KDP crystal surface, middle spatial frequencies of the cutting and feeding processes were identified. Comparative study with the power spectral density method, two-dimensional wavelet transform (2D-WT), as well as the traditional BEMD method, demonstrated that the method developed in this paper can efficiently extract texture features and reveal gradient development of KDP crystal surface. Furthermore, the proposed method was a self-adaptive data driven technique without prior knowledge, which overcame shortcomings of the 2D-WT model such as the parameters selection. Additionally, the proposed method was a promising tool for the application of online monitoring and optimal control of precision machining process.

Effects of buoyancy-driven convection on nucleation and growth of protein crystals.

PubMed

Nanev, Christo N; Penkova, Anita; Chayen, Naomi

2004-11-01

Protein crystallization has been studied in presence or absence of buoyancy-driven convection. Gravity-driven flow was created, or suppressed, in protein solutions by means of vertically directed density gradients that were caused by generating suitable temperature gradients. The presence of enhanced mixing was demonstrated directly by experiments with crustacyanin, a blue-colored protein, and other materials. Combined with the vertical tube position the enhanced convection has two main effects. First, it reduces the number of nucleated hen-egg-white lysozyme (HEWL) crystals, as compared with those in a horizontal capillary. By enabling better nutrition from the protein in the solution, convection results in growth of fewer larger HEWL crystals. Second, we observe that due to convection, trypsin crystals grow faster. Suppression of convection, achieved by decreasing solution density upward in the capillary, can to some extent mimic conditions of growth in microgravity. Thus, impurity supply, which may have a detrimental effect on crystal quality, was avoided.

A perspective on the structural studies of inner membrane electrochemical potential-driven transporters.

PubMed

Lemieux, M Joanne

2008-09-01

Electrochemical potential-driven transporters represent a vast array of proteins with varied substrate specificities. While diverse in size and substrate specificity, they are all driven by electrochemical potentials. Over the past five years there have been increasing numbers of X-ray structures reported for this family of transporters. Structural information is available for five subfamilies of electrochemical potential-driven transporters. No structural information exists for the remaining 91 subfamilies. In this review, the various subfamilies of electrochemical potential-driven transporters are discussed. The seven reported structures for the electrochemical potential-driven transporters and the methods for their crystallization are also presented. With a few exceptions, overall crystallization trends have been very similar for the transporters despite their differences in substrate specificity and topology. Also discussed is why the structural studies on these transporters were successful while others are not as fruitful. With the plethora of transporters with unknown structures, this review provides incentive for crystallization of transporters in the remaining subfamilies for which no structural information exists.

Ultrafast shock-induced orientation of polycrystalline films: Applications to high explosives

NASA Astrophysics Data System (ADS)

Franken, Jens; Hambir, Selezion A.; Dlott, Dana D.

1999-02-01

Tiny laser-driven shock waves of ˜5 GPa pressure (nanoshocks) are used to study fast mechanical processes occurring in a thin layer of polycrystalline insensitive energetic material, (3-nitro-1,2,4-triazol-5-one) (NTO). Ultrafast coherent Raman spectroscopy of shocked NTO shows the existence of three distinct mechanical processes. Very fast (˜600 ps) changes in intensity and the appearance of new transitions are associated with the uniaxial nature of compression by the shock front. Frequency shifting and broadening processes which track the ˜2 ns duration nanoshock are associated with transient changes in density and temperature. A novel slower process (5-10 ns) starts as the shock begins to unload, and continues for several nanoseconds after the shock is over, resulting in changes of widths and intensities of several vibrational transitions. By comparing ultrafast spectra to static Raman spectra of single NTO crystals in various orientations, it is concluded that this process involves shock-induced partial orientation of the crystals in the NTO layer. The NTO crystals are oriented faster than the time scale for initiating chemical reactions. The sensitivity of explosive crystals to shock initiation may depend dramatically on the orientation of the crystal relative to the direction of shock propagation, so the implications of fast shock-induced orientation for energetic materials initiation are discussed briefly.

Effect of Shock Waves on Dielectric Properties of KDP Crystal

NASA Astrophysics Data System (ADS)

Sivakumar, A.; Suresh, S.; Pradeep, J. Anto; Balachandar, S.; Martin Britto Dhas, S. A.

2018-05-01

An alternative non-destructive approach is proposed and demonstrated for modifying electrical properties of crystal using shock-waves. The method alters dielectric properties of a potassium dihydrogen phosphate (KDP) crystal by loading shock-waves generated by a table-top shock tube. The experiment involves launching the shock-waves perpendicular to the (100) plane of the crystal using a pressure driven table-top shock tube with Mach number 1.9. Electrical properties of dielectric constant, dielectric loss, permittivity, impedance, AC conductivity, DC conductivity and capacitance as a function of spectrum of frequency from 1 Hz to 1 MHz are reported for both pre- and post-shock wave loaded conditions of the KDP crystal. The experimental results reveal that dielectric constant of KDP crystal is sensitive to the shock waves such that the value decreases for the shock-loaded KDP sample from 158 to 147. The advantage of the proposed approach is that it is an alternative to the conventional doping process for tailoring dielectric properties of this type of crystal.

Rheological Properties of Quasi-2D Fluids in Microgravity

NASA Technical Reports Server (NTRS)

Trittel, Torsten; Stannarius, Ralf; Eremin, Alexey; Harth, Kirsten; Clark, Noel A.; Maclennan, Joseph; Glaser, Matthew; Park, Cheol; Hall, Nancy; Tin, Padetha

2016-01-01

Freely suspended smectic films of sub-micrometer thickness and lateral extensions of several millimeters are used to study thermally driven convection and diffusion in the film plane. The experiments were performed during a six minute microgravity phase of a TEXUS suborbital rocket flight (Texus 52, launched April 27, 2015). The project served as a preliminary test for a planned ISS Experiment with liquid crystal films (OASIS), and in addition it provided new experimental data on smectic films exposed to in-plane thermal gradients.We find an attraction of the smectic material towards the cold edge of the film in a temperature gradient, similar to a Soret effect. This process is reversed when this edge is heated up again. Thermal convection driven by two thermocontacts in the film is practically absent, even at temperature gradients up to 10 Kmm, thermally driven convection sets in when the hot post reaches the transition temperature to the nematic phase.An additional experiment was performed under microgravity conditions to test the stability of liquid crystal bridges in different smectic phases.

Shaping Crystal-Crystal Phase Transitions

NASA Astrophysics Data System (ADS)

Du, Xiyu; van Anders, Greg; Dshemuchadse, Julia; Glotzer, Sharon

Previous computational and experimental studies have shown self-assembled structure depends strongly on building block shape. New synthesis techniques have led to building blocks with reconfigurable shape and it has been demonstrated that building block reconfiguration can induce bulk structural reconfiguration. However, we do not understand systematically how this transition happens as a function of building block shape. Using a recently developed ``digital alchemy'' framework, we study the thermodynamics of shape-driven crystal-crystal transitions. We find examples of shape-driven bulk reconfiguration that are accompanied by first-order phase transitions, and bulk reconfiguration that occurs without any thermodynamic phase transition. Our results suggest that for well-chosen shapes and structures, there exist facile means of bulk reconfiguration, and that shape-driven bulk reconfiguration provides a viable mechanism for developing functional materials.

History and utility of zeolite framework-type discovery from a data-science perspective

DOE PAGES

Zimmermann, Nils E. R.; Haranczyk, Maciej

2016-05-02

Mature applications such as fluid catalytic cracking and hydrocracking rely critically on early zeolite structures. With a data-driven approach, we find that the discovery of exceptional zeolite framework types around the new millennium was spurred by exciting new utilization routes. The promising processes have yet not been successfully implemented (“valley of death” effect), mainly because of the lack of thermal stability of the crystals. As a result, this foreshadows limited deployability of recent zeolite discoveries that were achieved by novel crystal synthesis routes.

An Alternative Hypothesis for How Microgravity Improves Macromolecular Crystal Quality

NASA Technical Reports Server (NTRS)

Pusey, Marc

2003-01-01

There is a substantial body of experimental evidence, from this and other laboratories, that strongly suggests that for many proteins crystal nucleation and growth is by addition of associated species that are preformed by reversible concentration-driven self association processes in the bulk solution. We have developed a self-association model for the crystal nucleation and growth of the protein chicken egg lysozyme. The model accounts for the obtained crystal symmetry, explains the observed surface structures, and shows the importance of the symmetry obtained by self-association in solution to the process as a whole. This model also offers a possible mechanism for fluid flow effects on the growth process and how microgravity may affect it. While a single lysozyme molecule is relatively small an octamer in the 43 helix configuration (the proposed average sized growth unit) would have a M.W. approx. 115,000 and dimensions of 5.6 x 5.6 x 7.6 nm. Direct AFM measurements of growth unit incorporation indicate that units as wide as 11.2 nm and as long as 11.4 nm (a 24-mer) commonly attach to the crystal. AFM results from Weichmann et al. (Ultramicroscopy 86, 159-166, 2001) suggest that associated species of up to 40-mers in size add to the (101) faces. These measurements reflect the sizes of units that both added and desorbed from the crystal surface. The larger and less isotropic the associated species the more likely that it will be oriented to some degree in a flowing boundary layer, even at the low flow velocities measured about macromolecule crystals. On Earth, concentration gradient driven flow will maintain a high interfacial concentration, i.e., a high level (essentially that of the bulk solution) of solute association at the interface and higher growth rate. Higher growth rates mean an increased probability that misaligned growth units are trapped by subsequent growth layers before they can be desorbed and try again, or that the desorbing species is more likely to be smaller than the adsorbing species. In microgravity the extended diffusive boundary layer will lower the interfacial concentration. This results in a net dissociation of aggregated species that diffuse in from the bulk solution, i.e., smaller associated species, which are more likely able to make multiple attempts to correctly bind, yielding higher quality crystals.

Growth morphologies of wax in the presence of kinetic inhibitors

NASA Astrophysics Data System (ADS)

Tetervak, Alexander A.

Driven by the need to prevent crystallization of normal alkanes from diesel fuels in cold climates, the petroleum industry has developed additives to slow the growth of these crystals and alter their morphologies. Although the utility of these kinetic inhibitors has been well demonstrated in the field, few studies have directly monitored their effect at microscopic morphology, and the mechanisms by which they act remain poorly understood. Here we present a study of the effects of such additives on the crystallization of long-chain n-alkanes from solution. The additives change the growth morphology from plate-like crystals to a microcrystalline mesh. When we impose a front velocity by moving the sample through a temperature gradient, the mesh growth may form a macroscopic banded pattern and also exhibit a burst-crystallization behavior. In this study, we characterize these crystallization phenomena and also two growth models: a continuum model that demonstrates the essential behavior of the banded crystallization, and a simple qualitative cellular automata model that captures basics of the burst-crystallization process. Keywords: solidification; mesh crystallization; kinetic inhibitor; burst growth.

Resonance fluorescence spectrum in a two-band photonic bandgap crystal

NASA Astrophysics Data System (ADS)

Lee, Ray-Kuang; Lai, Yinchieh

2003-05-01

Steady state resonance fluorescence spectra from a two-level atom embedded in a photonic bandgap crystal and resonantly driven by a classical pump light are calculated. The photonic crystal is considered to be with a small bandgap which is in the order of magnitude of the Rabi frequency and is modeled by the anisotropic two-band dispersion relation. Non-Markovian noises caused by the non-uniform distribution of photon density states near the photonic bandgap are taken into account by a new approach which linearizes the optical Bloch equations by using the Liouville operator expansion. Fluorescence spectra that only exhibit sidebands of the Mollow triplet are found, indicating that there is no coherent Rayleigh scattering process.

The "Sticky Patch" Model of Crystallization and Modification of Proteins for Enhanced Crystallizability.

PubMed

Derewenda, Zygmunt S; Godzik, Adam

2017-01-01

Crystallization of macromolecules has long been perceived as a stochastic process, which cannot be predicted or controlled. This is consistent with another popular notion that the interactions of molecules within the crystal, i.e., crystal contacts, are essentially random and devoid of specific physicochemical features. In contrast, functionally relevant surfaces, such as oligomerization interfaces and specific protein-protein interaction sites, are under evolutionary pressures so their amino acid composition, structure, and topology are distinct. However, current theoretical and experimental studies are significantly changing our understanding of the nature of crystallization. The increasingly popular "sticky patch" model, derived from soft matter physics, describes crystallization as a process driven by interactions between select, specific surface patches, with properties thermodynamically favorable for cohesive interactions. Independent support for this model comes from various sources including structural studies and bioinformatics. Proteins that are recalcitrant to crystallization can be modified for enhanced crystallizability through chemical or mutational modification of their surface to effectively engineer "sticky patches" which would drive crystallization. Here, we discuss the current state of knowledge of the relationship between the microscopic properties of the target macromolecule and its crystallizability, focusing on the "sticky patch" model. We discuss state-of-the-art in silico methods that evaluate the propensity of a given target protein to form crystals based on these relationships, with the objective to design variants with modified molecular surface properties and enhanced crystallization propensity. We illustrate this discussion with specific cases where these approaches allowed to generate crystals suitable for structural analysis.

Analytics of crystal growth in space

NASA Technical Reports Server (NTRS)

Chang, C. E.; Lefever, R. A.; Wilcox, W. R.

1975-01-01

The variation of radial impurity distribution induced by surface tension driven flow increases as the zone length decreases in silicon crystals grown by floating zone melting. In combined buoyancy driven and surface tension driven convection at the gravity of earth, the buoyancy contribution becomes relatively smaller as the zone diameter decreases and eventually convection is dominated by the surface tension driven flow (in the case of silicon, for zones of less than about 0.8 cm in diameter). Preliminary calculations for sapphire suggest the presence of an oscillatory surface tension driven convection as a result of an unstable melt surface temperature that results when the zone is heated by a radiation heater.

Direct in situ observation of the electron-driven synthesis of Ag filaments on α-Ag2WO4 crystals

PubMed Central

Longo, E.; Cavalcante, L. S.; Volanti, D. P.; Gouveia, A. F.; Longo, V. M.; Varela, J. A.; Orlandi, M. O.; Andrés, J.

2013-01-01

In this letter, we report, for the first time, the real-time in situ nucleation and growth of Ag filaments on α-Ag2WO4 crystals driven by an accelerated electron beam from an electronic microscope under high vacuum. We employed several techniques to characterise the material in depth. By using these techniques combined with first-principles modelling based on density functional theory, a mechanism for the Ag filament formation followed by a subsequent growth process from the nano- to micro-scale was proposed. In general, we have shown that an accelerated electron beam from an electronic microscope under high vacuum enables in situ visualisation of Ag filaments with subnanometer resolution and offers great potential for addressing many fundamental issues in materials science, chemistry, physics and other fields of science. PMID:23591807

Interactions between solidification and compositional convection in mushy layers

NASA Technical Reports Server (NTRS)

Worster, M. Grae

1994-01-01

Mushy layers are ubiquitous during the solidification of alloys. They are regions of mixed phase wherein solid crystals are bathed in the melt from which they grew. The matrix of crystals forms a porous medium through which the melt can flow, driven either by external forces or by its own buoyancy in a gravitational field. Buoyancy-driven convection of the melt depends both on temperature gradients, which are necessary for solidification, and on compositional gradients, which are generated as certain components of the alloy are preferentially incorporated in the solid phase and the remaining components are expelled into the melt. In fully liquid regions, the combined action of temperature and concentration on the density of the liquid can cause various forms of double-diffusive convection. However, in the interior of mushy regions the temperature and concentration are thermodynamically coupled so only single-diffusive convection can occur. Typically, the effect of composition on the buoyancy of the melt is much greater than the effect of temperature, and thus convection in mushy layers in driven primarily by the computational gradients within them. The rising interstitial liquid is relatively dilute, having come from colder regions of the mushy layer, where the liquidus concentration is lower, and can dissolve the crystal matrix through which it flows. This is the fundamental process by which chimneys are formed. It is a nonlinear process that requires the convective velocities to be sufficiently large, so fully fledged chimneys (narrow channels) might be avoided by means that weaken the flow. Better still would be to prevent convection altogether, since even weak convection will cause lateral, compositional inhomogeneities in castings. This report outlines three studies that examine the onset of convection within mushy layers.

Numerical Study of Hydrothermal Wave Suppression in Thermocapillary Flow Using a Predictive Control Method

NASA Astrophysics Data System (ADS)

Muldoon, F. H.

2018-04-01

Hydrothermal waves in flows driven by thermocapillary and buoyancy effects are suppressed by applying a predictive control method. Hydrothermal waves arise in the manufacturing of crystals, including the "open boat" crystal growth process, and lead to undesirable impurities in crystals. The open boat process is modeled using the two-dimensional unsteady incompressible Navier-Stokes equations under the Boussinesq approximation and the linear approximation of the surface thermocapillary force. The flow is controlled by a spatially and temporally varying heat flux density through the free surface. The heat flux density is determined by a conjugate gradient optimization algorithm. The gradient of the objective function with respect to the heat flux density is found by solving adjoint equations derived from the Navier-Stokes ones in the Boussinesq approximation. Special attention is given to heat flux density distributions over small free-surface areas and to the maximum admissible heat flux density.

Electrically driven cation exchange for in situ fabrication of individual nanostructures

DOE PAGES

Zhang, Qiubo; Yin, Kuibo; Dong, Hui; ...

2017-04-12

Cation exchange (CE) has been recognized as a particularly powerful tool for the synthesis of heterogeneous nanocrystals. Presently, CE can be divided into two categories, namely ion solvation-driven CE reaction and thermally activated CE reaction. Here we report an electrically driven CE reaction to prepare individual nanostructures inside a transmission electron microscope. During the process, Cd is eliminated due to Ohmic heating, whereas Cu + migrates into the crystal driven by the electrical field force. Contrast experiments reveal that the feasibility of electrically driven CE is determined by the structural similarity of the sulfur sublattices between the initial and finalmore » phases, and the standard electrode potentials of the active electrodes. These experimental results demonstrate a strategy for the selective growth of individual nanocrystals and provide crucial insights into understanding of the microscopic pathways leading to the formation of heterogeneous structures.« less

A thickness-mode piezoelectric micromachined ultrasound transducer annular array using a PMN–PZT single crystal

NASA Astrophysics Data System (ADS)

Kang, Woojin; Jung, Joontaek; Lee, Wonjun; Ryu, Jungho; Choi, Hongsoo

2018-07-01

Micro-electromechanical system (MEMS) technologies were used to develop a thickness-mode piezoelectric micromachined ultrasonic transducer (Tm-pMUT) annular array utilizing a lead magnesium niobate–lead zirconate titanate (PMN–PZT) single crystal prepared by the solid-state single-crystal-growth method. Dicing is a conventional processing method for PMN–PZT single crystals, but MEMS technology can be adopted for the development of Tm-pMUT annular arrays and has various advantages, including fabrication reliability, repeatability, and a curved element shape. An inductively coupled plasma–reactive ion etching process was used to etch a brittle PMN–PZT single crystal selectively. Using this process, eight ring-shaped elements were realized in an area of 1  ×  1 cm2. The resonance frequency and effective electromechanical coupling coefficient of the Tm-pMUT annular array were 2.66 (±0.04) MHz, 3.18 (±0.03) MHz, and 30.05%, respectively, in the air. The maximum positive acoustic pressure in water, measured at a distance of 7.27 mm, was 40 kPa from the Tm-pMUT annular array driven by a 10 Vpp sine wave at 2.66 MHz without beamforming. The proposed Tm-pMUT annular array using a PMN–PZT single crystal has the potential for various applications, such as a fingerprint sensor, and for ultrasonic cell stimulation and low-intensity tissue stimulation.

Vapor crystal growth technology development: Application to cadmium telluride

NASA Technical Reports Server (NTRS)

Rosenberger, Franz; Banish, Michael; Duval, Walter M. B.

1991-01-01

Growth of bulk crystals by physical vapor transport was developed and applied to cadmium telluride. The technology makes use of effusive ampoules, in which part of the vapor contents escapes to a vacuum shroud through defined leaks during the growth process. This approach has the advantage over traditional sealed ampoule techniques that impurity vapors and excess vapor constituents are continuously removed from the vicinity of the growing crystal. Thus, growth rates are obtained routinely at magnitudes that are rather difficult to achieve in closed ampoules. Other advantages of this effusive ampoule physical vapor transport (EAPVT) technique include the predetermination of transport rates based on simple fluid dynamics and engineering considerations, and the growth of the crystal from close to congruent vapors, which largely alleviates the compositional nonuniformities resulting from buoyancy driven convective transport. After concisely reviewing earlier work on improving transport rates, nucleation control, and minimization of crystal wall interactions in vapor crystal growth, a detail account is given of the largely computer controlled EAPVT experimentation.

Wide-view transflective liquid crystal display for mobile applications

NASA Astrophysics Data System (ADS)

Kim, Hyang Yul; Ge, Zhibing; Wu, Shin-Tson; Lee, Seung Hee

2007-12-01

A high optical efficiency and wide-view transflective liquid crystal display based on fringe-field switching structure is proposed. The transmissive part has a homogenous liquid crystal (LC) alignment and is driven by a fringe electric field, which exhibits excellent electro-optic characteristics. The reflective part has a hybrid LC alignment with quarter-wave phase retardation and is also driven by a fringe electric field. Consequently, the transmissive and reflective parts have similar gamma curves.

Dual-layer electrode-driven liquid crystal lens with electrically tunable focal length and focal plane

NASA Astrophysics Data System (ADS)

Zhang, Y. A.; Lin, C. F.; Lin, J. P.; Zeng, X. Y.; Yan, Q.; Zhou, X. T.; Guo, T. L.

2018-04-01

Electric-field-driven liquid crystal (ELC) lens with tunable focal length and their depth of field has been extensively applied in 3D display and imaging systems. In this work, a dual-layer electrode-driven liquid crystal (DELC) lens with electrically tunable focal length and controllable focal plane is demonstrated. ITO-SiO2-AZO electrodes with the dual-layer staggered structure on the top substrate are used as driven electrodes within a LC cell, which permits the establishment of an alternative controllability. The focal length of the DELC lens can be adjusted from 1.41 cm to 0.29 cm when the operating voltage changes from 15 V to 40 V. Furthermore, the focal plane of the DELC lens can selectively move by changing the driving method of the applied voltage to the next driven electrodes. This work demonstrates that the DELC lens has potential applications in imaging systems because of electrically tunable focal length and controllable focal plane.

Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Brebrick, R. F.; Burger, A.; Dudley, M.; Ramachandran, N.

2003-01-01

The objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the crystals grown by vapor transport as results of buoyance-driven convection and growth interface fluctuations caused by irregular fluid-flows. ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, were grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals were characterized extensively to correlate the grown crystal properties with the growth conditions.

Laser-driven plasma photonic crystals for high-power lasers

NASA Astrophysics Data System (ADS)

Lehmann, G.; Spatschek, K. H.

2017-05-01

Laser-driven plasma density gratings in underdense plasma are shown to act as photonic crystals for high power lasers. The gratings are created by counterpropagating laser beams that trap electrons, followed by ballistic ion motion. This leads to strong periodic plasma density modulations with a lifetime on the order of picoseconds. The grating structure is interpreted as a plasma photonic crystal time-dependent property, e.g., the photonic band gap width. In Maxwell-Vlasov and particle-in-cell simulations it is demonstrated that the photonic crystals may act as a frequency filter and mirror for ultra-short high-power laser pulses.

Protein crystal growth

NASA Technical Reports Server (NTRS)

Bugg, Charles E.

1993-01-01

Proteins account for 50% or more of the dry weight of most living systems and play a crucial role in virtually all biological processes. Since the specific functions of essentially all biological molecules are determined by their three-dimensional structures, it is obvious that a detailed understanding of the structural makeup of a protein is essential to any systematic research pertaining to it. At the present time, protein crystallography has no substitute, it is the only technique available for elucidating the atomic arrangements within complicated biological molecules. Most macromolecules are extremely difficult to crystallize, and many otherwise exciting and promising projects have terminated at the crystal growth stage. There is a pressing need to better understand protein crystal growth, and to develop new techniques that can be used to enhance the size and quality of protein crystals. There are several aspects of microgravity that might be exploited to enhance protein crystal growth. The major factor that might be expected to alter crystal growth processes in space is the elimination of density-driven convective flow. Another factor that can be readily controlled in the absence of gravity is the sedimentation of growing crystal in a gravitational field. Another potential advantage of microgravity for protein crystal growth is the option of doing containerless crystal growth. One can readily understand why the microgravity environment established by Earth-orbiting vehicles is perceived to offer unique opportunities for the protein crystallographer. The near term objectives of the Protein Crystal Growth in a Microgravity Environment (PCG/ME) project is to continue to improve the techniques, procedures, and hardware systems used to grow protein crystals in Earth orbit.

On the Coupling Mechanism of Equiaxed Crystal Generation with the Liquid Flow Driven by Natural Convection During Solidification

NASA Astrophysics Data System (ADS)

Stefan-Kharicha, Mihaela; Kharicha, Abdellah; Wu, Menghuai; Ludwig, Andreas

2018-02-01

The influence of the melt flow on the solidification structure is bilateral. The flow plays an important role in the solidification pattern, via the heat transfer, grain distribution, and segregations. On the other hand, the crystal structure, columnar or equiaxed, impacts the flow, via the thermosolutal convection, the drag force applied by the crystals on the melt flow, etc. As the aim of this research was to further explore the solidification-flow interaction, experiments were conducted in a cast cell (95 * 95 * 30 mm3), in which an ammonium chloride-water solution (between 27 and 31 wt pct NH4Cl) was observed as it solidified. The kinetic energy (KE) of the flow and the average flow velocity were calculated throughout the process. Measurements of the volume extension of the mush in the cell and the velocity of the solid front were also taken during the solidification experiment. During the mainly columnar experiments (8 cm liquid height) the flow KE continuously decreased over time. However, during the later series of experiments at higher liquid height (9.5 cm), the flow KE evolution presented a strong peak shortly after the start of solidification. This increase in the total flow KE correlated with the presence of falling equiaxed crystals. Generally, a clear correlation between the strength of the flow and the occurrence of equiaxed crystals was evident. The analysis of the results strongly suggests a fragmentation origin of equiaxed crystals appearing in the melt. The transition from purely columnar growth to a strongly equiaxed rain (CET) was found to be triggered by (a) the magnitude of the coupling between the flow intensity driven by the equiaxed crystals, and (b) the release and transport of the fragments by the same flow recirculating within the mushy zone.

Primary and secondary fragmentation of crystal-bearing intermediate magma

NASA Astrophysics Data System (ADS)

Jones, Thomas J.; McNamara, Keri; Eychenne, Julia; Rust, Alison C.; Cashman, Katharine V.; Scheu, Bettina; Edwards, Robyn

2016-11-01

Crystal-rich intermediate magmas are subjected to both primary and secondary fragmentation processes, each of which may produce texturally distinct tephra. Of particular interest for volcanic hazards is the extent to which each process contributes ash to volcanic plumes. One way to address this question is by fragmenting pyroclasts under controlled conditions. We fragmented pumice samples from Soufriere Hills Volcano (SHV), Montserrat, by three methods: rapid decompression in a shock tube-like apparatus, impact by a falling piston, and milling in a ball mill. Grain size distributions of the products reveal that all three mechanisms produce fractal breakage patterns, and that the fractal dimension increases from a minimum of 2.1 for decompression fragmentation (primary fragmentation) to a maximum of 2.7 by repeated impact (secondary fragmentation). To assess the details of the fragmentation process, we quantified the shape, texture and components of constituent ash particles. Ash shape analysis shows that the axial ratio increases during milling and that particle convexity increases with repeated impacts. We also quantify the extent to which the matrix is separated from the crystals, which shows that secondary processes efficiently remove adhering matrix from crystals, particularly during milling (abrasion). Furthermore, measurements of crystal size distributions before (using x-ray computed tomography) and after (by componentry of individual grain size classes) decompression-driven fragmentation show not only that crystals influence particular size fractions across the total grain size distribution, but also that free crystals are smaller in the fragmented material than in the original pumice clast. Taken together, our results confirm previous work showing both the control of initial texture on the primary fragmentation process and the contributions of secondary processes to ash formation. Critically, however, our extension of previous analyses to characterisation of shape, texture and componentry provides new analytical tools that can be used to assess contributions of secondary processes to ash deposits of uncertain or mixed origin. We illustrate this application with examples from SHV deposits.

The ‘Sticky Patch’ Model of Crystallization and Modification of Proteins for Enhanced Crystallizability

PubMed Central

Derewenda, Zygmunt S.; Godzik, Adam

2017-01-01

Crystallization of macromolecules has long been perceived as a stochastic process, which cannot be predicted or controlled. This is consistent with another popular notion that the interactions of molecules within the crystal, i.e. crystal contacts, are essentially random and devoid of specific physicochemical features. In contrast, functionally relevant surfaces, such as oligomerization interfaces and specific protein-protein interaction sites, are under evolutionary pressures so their amino acid composition, structure and topology are distinct. However, current theoretical and experimental studies are significantly changing our understanding of the nature of crystallization. The increasingly popular ‘sticky patch’ model, derived from soft matter physics, describes crystallization as a process driven by interactions between select, specific surface patches, with properties thermodynamically favorable for cohesive interactions. Independent support for this model comes from various sources including structural studies and bioinformatics. Proteins that are recalcitrant to crystallization can be modified for enhanced crystallizability through chemical or mutational modification of their surface to effectively engineer ‘sticky patches’ which would drive crystallization. Here, we discuss the current state of knowledge of the relationship between the microscopic properties of the target macromolecule and its crystallizability, focusing on the ‘sticky patch’ model. We discuss state-of-art in silico methods that evaluate the propensity of a given target protein to form crystals based on these relationships, with the objective to design of variants with modified molecular surface properties and enhanced crystallization propensity. We illustrate this discussion with specific cases where these approaches allowed to generate crystals suitable for structural analysis. PMID:28573570

Visible-light-driven photocatalytic activation of peroxymonosulfate by Cu2(OH)PO4 for effective decontamination.

PubMed

Liu, Guoshuai; Zhou, Yanan; Teng, Jie; Zhang, Jinna; You, Shijie

2018-06-01

The advanced oxidation process (AOP) based on SO 4 - radicals draws an increasing interest in water and wastewater treatment. Producing SO 4 - radicals from the activation of peroxymonosulfate (PMS) by transition metal ions or oxides may be problematic due to high operational cost and potential secondary pollution caused by metal leaching. To address this challenge, the present study reports the efficient production of SO 4 - radicals through visible-light-driven photocatalytic activation (VL-PCA) of PMS by using Cu 2 (OH)PO 4 single crystal for enhanced degradation of a typical recalcitrant organic pollutant, i.e., 2,4-dichlorophenol (2,4-DCP). It took only 7 min to achieve almost 100% removal of 2,4-DCP in the Cu 2 (OH)PO 4 /PMS system under visible-light irradiation and pH-neutral condition. The 2,4-DCP degradation was positively correlated to the amount of Cu 2 (OH)PO 4 and PMS. Both OH and SO 4 - radicals were responsible for enhanced degradation performance, indicated by radical scavenger experiments and electron spin resonance (ESR) measurements. The Cu 2 (OH)PO 4 single crystal exhibited good cyclic stability and negligible metal leaching. According to density functional theory (DFT) calculations, the visible-light-driven transformation of two copper states between trigonal bipyramidal sites and octahedral sites in the crystal structure of Cu 2 (OH)PO 4 facilitates the generation of OH and SO 4 - radicals from the activation of PMS and cleavage of O-O bonds. This study provides the proof-in-concept demonstration of activation of PMS driven by visible light, making the SO 4 - radicals-based AOPs much easier, more economical and more sustainable in engineering applications for water and wastewater treatment. Copyright © 2018 Elsevier Ltd. All rights reserved.

Formation of porous crystals via viscoelastic phase separation

NASA Astrophysics Data System (ADS)

Tsurusawa, Hideyo; Russo, John; Leocmach, Mathieu; Tanaka, Hajime

2017-10-01

Viscoelastic phase separation of colloidal suspensions can be interrupted to form gels either by glass transition or by crystallization. With a new confocal microscopy protocol, we follow the entire kinetics of phase separation, from homogeneous phase to different arrested states. For the first time in experiments, our results unveil a novel crystallization pathway to sponge-like porous crystal structures. In the early stages, we show that nucleation requires a structural reorganization of the liquid phase, called stress-driven ageing. Once nucleation starts, we observe that crystallization follows three different routes: direct crystallization of the liquid phase, the Bergeron process, and Ostwald ripening. Nucleation starts inside the reorganized network, but crystals grow past it by direct condensation of the gas phase on their surface, driving liquid evaporation, and producing a network structure different from the original phase separation pattern. We argue that similar crystal-gel states can be formed in monatomic and molecular systems if the liquid phase is slow enough to induce viscoelastic phase separation, but fast enough to prevent immediate vitrification. This provides a novel pathway to form nanoporous crystals of metals and semiconductors without dealloying, which may be important for catalytic, optical, sensing, and filtration applications.

Quantitative determination of zero-gravity effects on electronic materials processing germanium crystal growth with simultaneous interface demarcation. Experiment MA-060

NASA Technical Reports Server (NTRS)

Gatos, H. C.; Witt, A. F.

1977-01-01

Experiment MA-060 was designed to establish the crystal growth and segregation characteristics of a melt in a directional solidification configuration under near zero-g conditions. The interface demarcation technique was incorporated into the experiment since it constitutes a unique tool for recording the morphology of the growth rate throughout solidification, and for establishing an absolute time reference framework for all stages of the solidification process. An extensive study was performed of the germanium crystals grown during the Apollo-Soyuz Test Project mission. It was found that single crystal growth was achieved and that the interface demarcation functioned successfully. There was no indication that convection driven by thermal or surface tension gradients was present in the melt. The gallium segregation, in the absence of gravity, was found to be fundamentally different in its initial and its subsequent stages from that of the ground-based tests. None of the existing theoretical models for growth and segregation can account for the observed segregation behavior in the absence of gravity.

Blocking fatty acid-fueled mROS production within macrophages alleviates acute gouty inflammation.

PubMed

Hall, Christopher J; Sanderson, Leslie E; Lawrence, Lisa M; Pool, Bregina; van der Kroef, Maarten; Ashimbayeva, Elina; Britto, Denver; Harper, Jacquie L; Lieschke, Graham J; Astin, Jonathan W; Crosier, Kathryn E; Dalbeth, Nicola; Crosier, Philip S

2018-05-01

Gout is the most common inflammatory arthritis affecting men. Acute gouty inflammation is triggered by monosodium urate (MSU) crystal deposition in and around joints that activates macrophages into a proinflammatory state, resulting in neutrophil recruitment. A complete understanding of how MSU crystals activate macrophages in vivo has been difficult because of limitations of live imaging this process in traditional animal models. By live imaging the macrophage and neutrophil response to MSU crystals within an intact host (larval zebrafish), we reveal that macrophage activation requires mitochondrial ROS (mROS) generated through fatty acid oxidation. This mitochondrial source of ROS contributes to NF-κB-driven production of IL-1β and TNF-α, which promote neutrophil recruitment. We demonstrate the therapeutic utility of this discovery by showing that this mechanism is conserved in human macrophages and, via pharmacologic blockade, that it contributes to neutrophil recruitment in a mouse model of acute gouty inflammation. To our knowledge, this study is the first to uncover an immunometabolic mechanism of macrophage activation that operates during acute gouty inflammation. Targeting this pathway holds promise in the management of gout and, potentially, other macrophage-driven diseases.

Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport

NASA Technical Reports Server (NTRS)

2003-01-01

The objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the crystals grown by vapor transport as results of buoyancy-driven convection and growth interface fluctuations caused by irregular fluid-flows. ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, were grown by vapor transport technique with real time in situ non-invasive monitoring techniques. The grown crystals were characterized extensively to correlate the grown crystal properties with the growth conditions. Significant effects of gravity vector orientation on the growth crystal morphology and point defect distribution were observed.

Crystal nucleation of colloidal hard dumbbells

NASA Astrophysics Data System (ADS)

Ni, Ran; Dijkstra, Marjolein

2011-01-01

Using computer simulations, we investigate the homogeneous crystal nucleation in suspensions of colloidal hard dumbbells. The free energy barriers are determined by Monte Carlo simulations using the umbrella sampling technique. We calculate the nucleation rates for the plastic crystal and the aperiodic crystal phase using the kinetic prefactor as determined from event driven molecular dynamics simulations. We find good agreement with the nucleation rates determined from spontaneous nucleation events observed in event driven molecular dynamics simulations within error bars of one order of magnitude. We study the effect of aspect ratio of the dumbbells on the nucleation of plastic and aperiodic crystal phases, and we also determine the structure of the critical nuclei. Moreover, we find that the nucleation of the aligned close-packed crystal structure is strongly suppressed by a high free energy barrier at low supersaturations and slow dynamics at high supersaturations.

Does Warming a Lysozyme Solution Cook Ones Data?

NASA Technical Reports Server (NTRS)

Pusey, Marc; Burke, Michael; Judge, Russell

2000-01-01

Chicken egg white lysozyme has a well characterized thermally driven phase transition. Between pH 4.0 and 5.2, the transition temperature, as defined by the point where the tetragonal and orthorhombic solubility are equal, is a function of the pH, salt (precipitant) type and concentration, and most likely of the buffer concentration as well. This phase transition can be carried out with protein solution alone, prior to the initiation of the crystallization process. We have now measured the kinetics of this process and investigated its reversibility. An aliquot of a stock protein solution is held at a given temperature, and at periodic intervals used to set up batch crystallization experiments. The batch solutions were incubated at 20 C until macroscopic crystals were obtained, at which point the number of crystals in each well were counted. The transition effects increased with temperature, slowly falling off at 30 C with a half time (time to approx. 1/2 the t = 0 number of crystals) of approx. 5 hours, and an estimated half time of approx. 0.5 hours at 43 C. Further, the process was not reversible by simple cooling. After holding a lysozyme solution at 37 C (prior to addition of precipitant) for 16 hours, then cooling and holding it at 4 C, no return to the pre-warmed nucleation kinetics are observed after at least 4 weeks. Thus every thermal excursion above the phase transition point results in a further decrease in the nucleation rate of that solution, the extent being a function of the time and temperature. Orthorhombic lysozyme crystals apparently do not undergo the flow-induced growth cessation of tetragonal lysozyme crystals. We have previously shown that putting the protein in the orthorhombic form does not affect the averaged face growth kinetics, only nucleation, for tetragonal crystals. We may be able to use this differential behavior to elucidate how flow affects tile lysozyme crystal growth process.

Study of Polymer Crystallization by Physical Vapor Deposition

NASA Astrophysics Data System (ADS)

Jeong, Hyuncheol

When a polymer is confined under the submicron length scale, confinement size and interfaces can significantly impact the crystallization kinetics and resulting morphology. The ability to tune the morphology of confined polymer systems is of critical importance for the development of high-performance polymer microelectronics. The wisdom from the research on confined crystallization suggests that it would be beneficial to have a processing route in which the crystallization of polymers is driven by interface and temperature effects at a nanometer-scale confinement. In practice, for atomic and small-molecular systems, physical vapor deposition (PVD) has been recognized as the most successful processing route for the precise control of the film structure at surface utilizing confinement effects. While standard PVD technologies are not generally applicable to the deposition of the chemically fragile macromolecules, the development of matrix-assisted pulsed laser evaporation (MAPLE) now enables the non-destructive PVD of high-molecular weight polymers. In this thesis work, we investigated the use of MAPLE for the precise control of the crystallization of polymer films at a molecular level. We also sought to decipher the rules governing the crystallization of confined polymers, by using MAPLE as a tool to form confined polymer systems onto substrates with a controlled temperature. We first explored the early stages of film growth and crystallization of poly(ethylene oxide) (PEO) at the substrate surface formed by MAPLE. The unique mechanism of film formation in MAPLE, the deposition of submicron-sized polymer droplets, allowed for the manifestation of confinement and substrate effects in the crystallization of MAPLE-deposited PEO. Furthermore, we also focused on the property of the amorphous PEO film formed by MAPLE, showing the dependence of polymer crystallization kinetics on the thermal history of the amorphous phase. Lastly, we probed how MAPLE processing affected the semi-crystalline structure in MAPLE-deposited polyethylene (PE) films. Depositing PE at various temperatures remarkably allowed for the tunability of the melting temperature and crystallinity of the PE films, thus manipulating the semi-crystalline structure. By comparing the structure of PE formed by different processing routes, i.e., MAPLE and melt-crystallization, we discussed how processing routes affect the development of semi-crystalline phase in polymer films.

Mapping crystal defects with a digital scanning ultramicroscope

NASA Astrophysics Data System (ADS)

Springer, John M., Jr.; Silberman, Enrique; Kroes, Roger L.; Reiss, Don

1991-12-01

A computer controlled scanning ultramicroscope has been built to assist in the characterization of transparent crystals. The device measures the scattering of a focused He-Ne laser beam by crystalline defects. As an XYZ translation table moves the crystal under the ultramicroscope, the scattered light is measured by a photodetector whose output is digitized and recorded. From this data, contour maps or 3-D perspective plots of the scattering regions of the crystal can be generated to assist in finding patterns of defects which might be correlated with perturbations in the growth process. The verified resolution of the present instrument is about 1 micrometers , which is limited by the minimum step of the stepper-motor driven translation stages, optical diffraction effects, and the sensitivity of the detector at the laser light frequency. The instrument was used to build a database of defects patterns in commercial laboratory grown triglycine sulphate (TGS) crystals, and to map defects in a TGS crystal grown from aqueous solution during the flight of Spacelab 3. This crystal shows indications of a reduction both in the generation of defects at the seed-new growth interface and in their propagation into the new crystal.

Mapping crystal defects with a digital scanning ultramicroscope

NASA Astrophysics Data System (ADS)

Springer, J. M.; Silberman, E.; Kroes, Roger; Reiss, D.

A computer controlled scanning ultramicroscope has been built to assist in the characterization of transparent crystals. The device measures the scattering of a focused He-Ne laser beam by crystalline defects. As an XYZ translation table moves the crystal under the ultramicroscope, the scattered light is measured by a photodetector whose output is digitized and recorded. From this data, contour maps or three dimensional perspective plots of the scattering regions of the crystal can be generated to assist in finding patterns of defects which might be correlated with perturbations in the growth process. The verified resolution of the present instrument is about 1 micrometer, which is limited by the minimum step of the stepper-motor driven translation stages, optical diffraction effects and the sensitivity of the detector at the laser light frequency. The instrument was used to build a database of defects patterns in commercial laboratory grown triglycine sulphate (TGS) crystals, and to map defects in a TGS crystal grown from aqueous solution during the flight of Spacelab 3. This crystal shows indications of a reduction both in the generation of defects at the seed-new growth interface and in their propagation into the new crystal.

Mapping crystal defects with a digital scanning ultramicroscope

NASA Technical Reports Server (NTRS)

Springer, J. M.; Silberman, E.; Kroes, Roger; Reiss, D.

1991-01-01

A computer controlled scanning ultramicroscope has been built to assist in the characterization of transparent crystals. The device measures the scattering of a focused He-Ne laser beam by crystalline defects. As an XYZ translation table moves the crystal under the ultramicroscope, the scattered light is measured by a photodetector whose output is digitized and recorded. From this data, contour maps or three dimensional perspective plots of the scattering regions of the crystal can be generated to assist in finding patterns of defects which might be correlated with perturbations in the growth process. The verified resolution of the present instrument is about 1 micrometer, which is limited by the minimum step of the stepper-motor driven translation stages, optical diffraction effects and the sensitivity of the detector at the laser light frequency. The instrument was used to build a database of defects patterns in commercial laboratory grown triglycine sulphate (TGS) crystals, and to map defects in a TGS crystal grown from aqueous solution during the flight of Spacelab 3. This crystal shows indications of a reduction both in the generation of defects at the seed-new growth interface and in their propagation into the new crystal.

Gravity driven and in situ fractional crystallization processes in the Centre Hill complex, Abitibi Subprovince, Canada: Evidence from bilaterally-paired cyclic units

NASA Astrophysics Data System (ADS)

Thériault, R. D.; Fowler, A. D.

1996-12-01

The formation of layers in mafic intrusions has been explained by various processes, making it the subject of much controversy. The concept that layering originates from gravitational settling of crystals has been superseded in recent years by models involving in situ fractional crystallization. Here we present evidence from the Centre Hill complex that both processes may be operative simultaneously within the same intrusion. The Centre Hill complex is part of the Munro Lake sill, an Archean layered mafic intrusion emplaced in volcanic rocks of the Abitibi Subprovince. The Centre Hill complex comprises the following lithostratigraphic units: six lower cyclic units of peridotite and clinopyroxenite; a middle unit of leucogabbro; six upper cyclic units of branching-textured gabbro (BTG) and clotted-textured gabbro (CTG), the uppermost of these units being overlain by a marginal zone of fine-grained gabbro. The cyclic units of peridotite/clinopyroxenite and BTG/CTG are interpreted to have formed concurrently through fractional crystallization, associated with periodic replenishment of magma to the chamber. The units of peridotite and clinopyroxenite formed by gravitational accumulation of crystals that grew under the roof. The cyclic units of BTG and CTG formed along the upper margin of the sill by two different mechanisms: (1) layers of BTG crystallized in situ along an inward-growing roof and (2) layers of CTG formed by accumulation of buoyant plagioclase crystals. The layers of BTG are characterized by branching pseudomorphs after fayalite up to 50 cm in length that extend away from the upper margin. The original branching crystals are interpreted to have grown from stagnant intercumulus melt in a high thermal gradient resulting from the injection of new magma to the chamber.

Mechanisms of differentiation in the Skaergaard magma chamber

NASA Astrophysics Data System (ADS)

Tegner, C.; Lesher, C. E.; Holness, M. B.; Jakobsen, J. K.; Salmonsen, L. P.; Humphreys, M. C. S.; Thy, P.

2012-04-01

The Skaergaard intrusion is a superb natural laboratory for studying mechanisms of magma chamber differentiation. The magnificent exposures and new systematic sample sets of rocks that solidified inwards from the roof, walls and floor of the chamber provide means to test the relative roles of crystal settling, diffusion, convection, liquid immiscibility and compaction in different regions of the chamber and in opposite positions relative to gravity. Examination of the melt inclusions and interstitial pockets has demonstrated that a large portion of intrusion crystallized from an emulsified magma chamber composed of immiscible silica- and iron-rich melts. The similarity of ratios of elements with opposite partitioning between the immiscible melts (e.g. P and Rb) in wall, floor and roof rocks, however, indicate that large-scale separation did not occur. Yet, on a smaller scale of metres to hundred of metres and close to the interface between the roof and floor rocks (the Sandwich Horizon), irregular layers and pods of granophyre hosted by extremely iron-rich cumulates point to some separation of the two liquid phases. Similar proportions of the primocryst (cumulus) minerals in roof, wall and floor rocks indicate that crystal settling was not an important mechanism. Likewise, the lack of fractionation of elements with different behavior indicate that diffusion and fluid-driven metasomatism played relatively minor roles. Compositional convection and/or compaction within the solidifying crystal mush boundary layer are likely the most important mechanisms. A correlation of low trapped liquid fractions (calculated from strongly incompatible elements) in floor rocks with high fractionation density (the density difference between the crystal framework and the liquid) indicate that compaction is the dominating process in expelling evolved liquid from the crystal mush layer. This is supported by high and variable trapped liquid contents in the roof rocks, where gravity-driven compaction will not work.

In situ observation of shear-driven amorphization in silicon crystals.

PubMed

He, Yang; Zhong, Li; Fan, Feifei; Wang, Chongmin; Zhu, Ting; Mao, Scott X

2016-10-01

Amorphous materials are used for both structural and functional applications. An amorphous solid usually forms under driven conditions such as melt quenching, irradiation, shock loading or severe mechanical deformation. Such extreme conditions impose significant challenges on the direct observation of the amorphization process. Various experimental techniques have been used to detect how the amorphous phases form, including synchrotron X-ray diffraction, transmission electron microscopy (TEM) and Raman spectroscopy, but a dynamic, atomistic characterization has remained elusive. Here, by using in situ high-resolution TEM (HRTEM), we show the dynamic amorphization process in silicon nanocrystals during mechanical straining on the atomic scale. We find that shear-driven amorphization occurs in a dominant shear band starting with the diamond-cubic (dc) to diamond-hexagonal (dh) phase transition and then proceeds by dislocation nucleation and accumulation in the newly formed dh-Si phase. This process leads to the formation of an amorphous Si (a-Si) band, embedded with dh-Si nanodomains. The amorphization of dc-Si via an intermediate dh-Si phase is a previously unknown pathway of solid-state amorphization.

Improving Self-Assembly by Varying the Temperature Periodically with Time

NASA Astrophysics Data System (ADS)

Raz, Oren; Jarzynski, Christopher

Self-assembly (SA) is the process by which basic components organize into a larger structure without external guidance. These processes are common in Nature, and also have technological applications, e.g. growing a crystal with a specific structure. So far, artificial SA processes have been designed mostly using diffusive building blocks with high specificity and directionality. The formation of the self-assembled structures is then driven by free-energy minimization into a thermodynamically stable state. In an alternative approach to SA, macroscopic parameters such as temperature, pressure, pH, magnetic field etc., are varied periodically with time. In this case, the SA structures are the stable periodic states of the driven system. Currently there are no design principles for periodically driven SA, other than in the limits of fast or weak driving. We present guiding ideas for self-assembly under periodic driving. As an example, we show a particular case in which self-assembly errors can be dramatically reduced by varying a system's temperature periodically with time. James S. McDonnell Foundation, and the US National Science Foundation: DMR-1506969.

MEA/A-1 experiment 81F01 conducted on STS-7 flight, June 1983. Containerless processing of glass forming melts

NASA Technical Reports Server (NTRS)

Day, D. E.; Ray, C. S.

1983-01-01

The space processing of containerless, glassforming melts on board the space shuttle flight STS-7 is investigated. Objectives include; (1) obtain quantitative evidence for the supression of heterogeneous nucleation/crystallization, (2) study melt homogenization without gravity driven convection, (3) procedural development for bubble free, high purity homogeneous melts inmicro-g, (4) comparative analysis of melts on Earth and in micro g, and (5) assess the apparatus for processing multicomponent, glass forming melts in a low gravity environment.

From Recombinant Expression to Crystals: A Step-by-Step Guide to GPCR Crystallography.

PubMed

Shukla, Arun K; Kumari, Punita; Ghosh, Eshan; Nidhi, Kumari

2015-01-01

G protein-coupled receptors (GPCRs) are the primary targets of drugs prescribed for many human pathophysiological conditions such as hypertension, allergies, schizophrenia, asthma, and various types of cancer. High-resolution structure determination of GPCRs has been a key focus area in GPCR biology to understand the basic mechanism of their activation and signaling and to materialize the long-standing dream of structure-based drug design on these versatile receptors. There has been tremendous effort at this front in the past two decades and it has culminated into crystal structures of 27 different receptors so far. The recent progress in crystallization and structure determination of GPCRs has been driven by innovation and cutting-edge developments at every step involved in the process of crystallization. Here, we present a step-by-step description of various steps involved in GPCR crystallization starting from recombinant expression to obtaining diffracting crystals. We also discuss the next frontiers in GPCR biology that are likely to be a primary focus for crystallography efforts in the next decade or so. © 2015 Elsevier Inc. All rights reserved.

Crystal Growth and Other Materials Physical Researches in Space Environment

NASA Astrophysics Data System (ADS)

Pan, Mingxiang

Material science researches in space environment are based on reducing the effects of buoyancy driven transport, the effects of atomic oxygen, radiation, extremes of heat and cold and the ultrahigh vacuum, so as to unveil the underlying fundamental phenomena, lead maybe to new potential materials or new industrial processes and develop space techniques. Currently, research program on materials sciences in Chinese Manned Space Engineering (CMSE) is going on. More than ten projects related to crystal growth and materials processes are selected as candidates to be executed in Shenzhou spacecraft, Tiangong Space Laboratory and Chinese Space Station. In this talk, we will present some examples of the projects, which are being prepared and executed in the near future flight tasks. They are both basic and applied research, from discovery to technology.

From globules to crystals: a spectral study of poly(2-isopropyl-2-oxazoline) crystallization in hot water.

PubMed

Sun, Shengtong; Wu, Peiyi

2015-12-28

One easy strategy to comprehend the complex folding/crystallization behaviors of proteins is to study the self-assembly process of their synthetic polymeric analogues with similar properties owing to their simple structures and easy access to molecular design. Poly(2-isopropyl-2-oxazoline) (PIPOZ) is often regarded as an ideal pseudopeptide with similar two-step crystallization behavior to proteins, whose aqueous solution experiences successive lower critical solution temperature (LCST)-type liquid-liquid phase separation upon heating and irreversible crystallization when annealed above LCST for several hours. In this paper, by microscopic observations, IR and Raman spectroscopy in combination with 2D correlation analysis, we show that the second step of PIPOZ crystallization in hot water can be further divided into two apparent stages, i.e., nucleation and crystal growth, and perfect crystalline PIPOZ chains are found to only develop in the second stage. While all the groups exhibit changes in initial nucleation, only methylene groups on the backbone participate in the crystal growth stage. During nucleation, a group motion transfer is found from the side chain to the backbone, and nucleation is assumed to be mainly driven by the cleavage of bridging C=O···D-O-D···O=C hydrogen bonds followed by chain arrangement due to amide dipolar orientation. Nevertheless, during crystal growth, a further chain ordering process occurs resulting in the final formation of crystalline PIPOZ chains with partial trans conformation of backbones and alternative side chains on the two sides. The underlying crystallization mechanism of PIPOZ in hot water we present here may provide very useful information for understanding the crystallization of biomacromolecules in biological systems.

Long-range Prethermal Time Crystals

NASA Astrophysics Data System (ADS)

Machado, Francisco; Meyer, Gregory D.; Else, Dominic; Olund, Christopher; Nayak, Chetan; Yao, Norman Y.

2017-04-01

Driven quantum systems have recently enabled the realization of a discrete time crystal - an intrinsically out-of-equilibrium phase of matter. One strategy to prevent the drive-induced, runaway heating of the time crystal is the presence of strong disorder leading to many-body localization (MBL). A more elegant, disorder-less approach is simply to work in the prethermal regime where time crystalline order can persist to exponentially long times. One key difference between prethermal and MBL time crystals is that the former is prohibited from existing in one dimensional systems with short-range interactions. In this work, we demonstrate that long-range interactions can stabilize a one dimensional prethermal time crystal. By numerically studying the pre-thermal regime, we find evidence for a phase transition out of the time crystal as a function of increasing energy density. Finally, generalizations of previous analytical bounds for the heating time-scale of driven quantum systems to long-range interactions will also be discussed.

Ambipolar light-emitting organic single-crystal transistors with a grating resonator

PubMed Central

Maruyama, Kenichi; Sawabe, Kosuke; Sakanoue, Tomo; Li, Jinpeng; Takahashi, Wataru; Hotta, Shu; Iwasa, Yoshihiro; Takenobu, Taishi

2015-01-01

Electrically driven organic lasers are among the best lasing devices due to their rich variety of emission colors as well as other advantages, including printability, flexibility, and stretchability. However, electrically driven lasing in organic materials has not yet been demonstrated because of serious luminescent efficiency roll-off under high current density. Recently, we found that the organic ambipolar single-crystal transistor is an excellent candidate for lasing devices because it exhibits less efficient roll-off, high current density, and high luminescent efficiency. Although a single-mode resonator combined with light-emitting transistors (LETs) is necessary for electrically driven lasing devices, the fragility of organic crystals has strictly limited the fabrication of resonators, and LETs with optical cavities have never been fabricated until now. To achieve this goal, we improved the soft ultraviolet-nanoimprint lithography method and demonstrated electroluminescence from a single-crystal LET with a grating resonator, which is a crucial milestone for future organic lasers. PMID:25959455

Polyvinylpyrrolidone-induced anisotropic growth of gold nanoprisms in plasmon-driven synthesis

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

Zhai, Yueming; DuChene, Joseph S.; Wang, Yi-Chung

After more than a decade, it is still unknown whether the plasmon-mediated growth of silver nanostructures can be extended to the synthesis of other noble metals, as the molecular mechanisms governing the growth process remain elusive. Herein, we demonstrate the plasmon-driven synthesis of gold nanoprisms and elucidate the details of the photochemical growth mechanism at the single-nanoparticle level. Our investigation reveals that the surfactant polyvinylpyrrolidone preferentially adsorbs along the nanoprism perimeter and serves as a photochemical relay to direct the anisotropic growth of gold nanoprisms. This discovery confers a unique function to polyvinylpyrrolidone that is fundamentally diferent from its widelymore » accepted role as a crystal-face-blocking ligand. Additionally, we find that nanocrystal twinning exerts a profound influence on the kinetics of this photochemical process by controlling the transport of plasmon-generated hot electrons to polyvinylpyrrolidone. These insights establish a molecular-level description of the underlying mechanisms regulating the plasmon-driven synthesis of gold nanoprisms.« less

Polyvinylpyrrolidone-induced anisotropic growth of gold nanoprisms in plasmon-driven synthesis

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

Zhai, Yueming; DuChene, Joseph S.; Wang, Yi-Chung

After more than a decade, it is still unknown whether the plasmon-mediated growth of silver nanostructures can be extended to the synthesis of other noble metals, as the molecular mechanisms governing the growth process remain elusive. In this paper, we demonstrate the plasmon-driven synthesis of gold nanoprisms and elucidate the details of the photochemical growth mechanism at the single-nanoparticle level. Our investigation reveals that the surfactant polyvinylpyrrolidone preferentially adsorbs along the nanoprism perimeter and serves as a photochemical relay to direct the anisotropic growth of gold nanoprisms. This discovery confers a unique function to polyvinylpyrrolidone that is fundamentally different frommore » its widely accepted role as a crystal-face-blocking ligand. Additionally, we find that nanocrystal twinning exerts a profound influence on the kinetics of this photochemical process by controlling the transport of plasmon-generated hot electrons to polyvinylpyrrolidone. Finally, these insights establish a molecular-level description of the underlying mechanisms regulating the plasmon-driven synthesis of gold nanoprisms.« less

Polyvinylpyrrolidone-induced anisotropic growth of gold nanoprisms in plasmon-driven synthesis

DOE PAGES

Zhai, Yueming; DuChene, Joseph S.; Wang, Yi-Chung; ...

2016-07-04

After more than a decade, it is still unknown whether the plasmon-mediated growth of silver nanostructures can be extended to the synthesis of other noble metals, as the molecular mechanisms governing the growth process remain elusive. In this paper, we demonstrate the plasmon-driven synthesis of gold nanoprisms and elucidate the details of the photochemical growth mechanism at the single-nanoparticle level. Our investigation reveals that the surfactant polyvinylpyrrolidone preferentially adsorbs along the nanoprism perimeter and serves as a photochemical relay to direct the anisotropic growth of gold nanoprisms. This discovery confers a unique function to polyvinylpyrrolidone that is fundamentally different frommore » its widely accepted role as a crystal-face-blocking ligand. Additionally, we find that nanocrystal twinning exerts a profound influence on the kinetics of this photochemical process by controlling the transport of plasmon-generated hot electrons to polyvinylpyrrolidone. Finally, these insights establish a molecular-level description of the underlying mechanisms regulating the plasmon-driven synthesis of gold nanoprisms.« less

In Vitro Characterization of the Two-Stage Non-Classical Reassembly Pathway of S-Layers

PubMed Central

Breitwieser, Andreas; Iturri, Jagoba; Toca-Herrera, Jose-Luis; Sleytr, Uwe B.; Pum, Dietmar

2017-01-01

The recombinant bacterial surface layer (S-layer) protein rSbpA of Lysinibacillus sphaericus CCM 2177 is an ideal model system to study non-classical nucleation and growth of protein crystals at surfaces since the recrystallization process may be separated into two distinct steps: (i) adsorption of S-layer protein monomers on silicon surfaces is completed within 5 min and the amount of bound S-layer protein sufficient for the subsequent formation of a closed crystalline monolayer; (ii) the recrystallization process is triggered—after washing away the unbound S-layer protein—by the addition of a CaCl2 containing buffer solution, and completed after approximately 2 h. The entire self-assembly process including the formation of amorphous clusters, the subsequent transformation into crystalline monomolecular arrays, and finally crystal growth into extended lattices was investigated by quartz crystal microbalance with dissipation (QCM-D) and atomic force microscopy (AFM). Moreover, contact angle measurements showed that the surface properties of S-layers change from hydrophilic to hydrophobic as the crystallization proceeds. This two-step approach is new in basic and application driven S-layer research and, most likely, will have advantages for functionalizing surfaces (e.g., by spray-coating) with tailor-made biological sensing layers. PMID:28216572

Observation of Discrete-Time-Crystal Signatures in an Ordered Dipolar Many-Body System

NASA Astrophysics Data System (ADS)

Rovny, Jared; Blum, Robert L.; Barrett, Sean E.

2018-05-01

A discrete time crystal (DTC) is a robust phase of driven systems that breaks the discrete time translation symmetry of the driving Hamiltonian. Recent experiments have observed DTC signatures in two distinct systems. Here we show nuclear magnetic resonance observations of DTC signatures in a third, strikingly different system: an ordered spatial crystal. We use a novel DTC echo experiment to probe the coherence of the driven system. Finally, we show that interactions during the pulse of the DTC sequence contribute to the decay of the signal, complicating attempts to measure the intrinsic lifetime of the DTC.

Observation of Discrete-Time-Crystal Signatures in an Ordered Dipolar Many-Body System.

PubMed

Rovny, Jared; Blum, Robert L; Barrett, Sean E

2018-05-04

A discrete time crystal (DTC) is a robust phase of driven systems that breaks the discrete time translation symmetry of the driving Hamiltonian. Recent experiments have observed DTC signatures in two distinct systems. Here we show nuclear magnetic resonance observations of DTC signatures in a third, strikingly different system: an ordered spatial crystal. We use a novel DTC echo experiment to probe the coherence of the driven system. Finally, we show that interactions during the pulse of the DTC sequence contribute to the decay of the signal, complicating attempts to measure the intrinsic lifetime of the DTC.

Tunable ring laser with internal injection seeding and an optically-driven photonic crystal reflector.

PubMed

Zheng, Jie; Ge, Chun; Wagner, Clark J; Lu, Meng; Cunningham, Brian T; Hewitt, J Darby; Eden, J Gary

2012-06-18

Continuous tuning over a 1.6 THz region in the near-infrared (842.5-848.6 nm) has been achieved with a hybrid ring/external cavity laser having a single, optically-driven grating reflector and gain provided by an injection-seeded semiconductor amplifier. Driven at 532 nm and incorporating a photonic crystal with an azobenzene overlayer, the reflector has a peak reflectivity of ~80% and tunes at the rate of 0.024 nm per mW of incident green power. In a departure from conventional ring or external cavity lasers, the frequency selectivity for this system is provided by the passband of the tunable photonic crystal reflector and line narrowing in a high gain amplifier. Sub - 0.1 nm linewidths and amplifier extraction efficiencies above 97% are observed with the reflector tuned to 842.5 nm.

Kinetics of Nucleation and Crystal Growth in Glass Forming Melts in Microgravity

NASA Technical Reports Server (NTRS)

Day, Delbert E.; Ray, Chandra S.

2003-01-01

This flight definition project has the specific objective of investigating the kinetics of nucleation and crystal growth in high temperature inorganic oxide, glass forming melts in microgravity. It is related to one1 of our previous NASA projects that was concerned with glass formation for high temperature containerless melts in microgravity. The previous work culminated in two experiments which were conducted aboard the space shuttle in 1983 and 1985 and which consisted of melting (at 1500 C) and cooling levitated 6 to 8 mm diameter spherical samples in a Single Axis Acoustic Levitator (SAAL) furnace. Compared to other types of materials, there have been relatively few experiments, 6 to 8, conducted on inorganic glasses in space. These experiments have been concerned with mass transport (alkali diffusion), containerless melting, critical cooling rate for glass formation, chemical homogeneity, fiber pulling, and crystallization of glass forming melts. One of the most important and consistent findings in all of these experiments has been that the glasses prepared in microgravity are more resistant to crystallization (better glass former) and more chemically homogeneous than equivalent glasses made on earth (1g). The chemical composition of the melt appears relatively unimportant since the same general results have been reported for oxide, fluoride and chalcogenide melts. These results for space-processed glasses have important implications, since glasses with a higher resistance to crystallization or higher chemical homogeneity than those attainable on earth can significantly advance applications in areas such as fiber optics communications, high power laser glasses, and other photonic devices where glasses are the key functional materials. The classical theories for nucleation and crystal growth for a glass or melt do not contain any parameter that is directly dependent upon the g-value, so it is not readily apparent why glasses prepared in microgravity should be more resistant to crystallization than equivalent glasses prepared on earth. Similarly, the gravity-driven convection in a fluid melt is believed to be the primary force field that is responsible for melt homogenization on earth. Thus, it is not obvious why a glass prepared in space, where gravity-driven convection is ideally absent, would be more chemically homogeneous than a glass identically prepared on earth. The primary objective of the present research is to obtain experimental data for the nucleation rate and crystal growth rate for a well characterized silicate melt (lithium disilicate) processed entirely in space (low gravity) and compare these rates with the nucleation and crystal growth rates for a similar glass prepared identically on earth (1g).

Diffusion-driven magnesium and iron isotope fractionation in Hawaiian olivine

USGS Publications Warehouse

Teng, F.-Z.; Dauphas, N.; Helz, R.T.; Gao, S.; Huang, S.

2011-01-01

Diffusion plays an important role in Earth sciences to estimate the timescales of geological processes such as erosion, sediment burial, and magma cooling. In igneous systems, these diffusive processes are recorded in the form of crystal zoning. However, meaningful interpretation of these signatures is often hampered by the fact that they cannot be unambiguously ascribed to a single process (e.g., magmatic fractionation, diffusion limited transport in the crystal or in the liquid). Here we show that Mg and Fe isotope fractionations in olivine crystals can be used to trace diffusive processes in magmatic systems. Over sixty olivine fragments from Hawaiian basalts show isotopically fractionated Mg and Fe relative to basalts worldwide, with up to 0.4??? variation in 26Mg/24Mg ratios and 1.6??? variation in 56Fe/54Fe ratios. The linearly and negatively correlated Mg and Fe isotopic compositions [i.e., ??56Fe=(??3.3??0.3)????26Mg], co-variations of Mg and Fe isotopic compositions with Fe/Mg ratios of olivine fragments, and modeling results based on Mg and Fe elemental profiles demonstrate the coupled Mg and Fe isotope fractionation to be a manifestation of Mg-Fe inter-diffusion in zoned olivines during magmatic differentiation. This characteristic can be used to constrain the nature of mineral zoning in igneous and metamorphic rocks, and hence determine the residence times of crystals in magmas, the composition of primary melts, and the duration of metamorphic events. With improvements in methodology, in situ isotope mapping will become an essential tool of petrology to identify diffusion in crystals. ?? 2011 Elsevier B.V.

Ring-shaped stain patterns driven by solute reactive mesogens in liquid crystal solution

NASA Astrophysics Data System (ADS)

Cha, Tae Woon; Bulliard, Xavier; Choi, Sang Gun; Lee, Hyoung Sub; Kong, Hyang-Shik; Han, Sang Youn

2014-07-01

We report on the formation of ring-shaped stain patterns in a polymer-stabilized patterned vertical alignment mode liquid crystal display (LCD) during the cell filling process. Through the interpretation of the formation mechanism, an effective way to control its development is provided. Systematic trace of the reactive mesogens reveals that the formation of patterns is strongly related to the segregation of solute mesogens in the stain area. These undesirable patterns can be avoided or controlled by reducing the drop volume at each droplet using an inkjet printing technique, meaning that the printing technique could be a useful solution in display technology. For the formation of ring-shaped patterns, the dragging of reactive mesogens during the spreading of the liquid crystal solution plays a key role in the closed LCD cell.

Space- and Ground-Based Crystal Growth Using a Baffle (CGB)

NASA Technical Reports Server (NTRS)

Ostrogorsky, A. G.; Marin, C.; Peignier, T.; Duffar, T.; Volz, M.; Jeter, L.; Luz, P.

2001-01-01

The composition of semiconductor crystals produced in space by conventional melt-growth processes (directional solidification and zone melting) is affected by minute levels of residual micro-acceleration, which causes natural convection. The residual acceleration has random magnitude, direction and frequency. Therefore, the velocity field in the melt is apriori unpredictable. As a result, the composition of the crystals grown in space can not be predicted and reproduced. The method for directional solidification with a submerged heater or a baffle was developed under NASA sponsorship. The disk-shaped baffle acts as a partition, creating a small melt zone at the solid-liquid interface. As a result, in ground based experiment the level of buoyancy-driven convection at the interface is significantly reduced. In several experiments with Te-doped GaSb, nearly diffusion controlled segregation was achieved.

The 2DX robot: a membrane protein 2D crystallization Swiss Army knife.

PubMed

Iacovache, Ioan; Biasini, Marco; Kowal, Julia; Kukulski, Wanda; Chami, Mohamed; van der Goot, F Gisou; Engel, Andreas; Rémigy, Hervé-W

2010-03-01

Among the state-of-the-art techniques that provide experimental information at atomic scale for membrane proteins, electron crystallography, atomic force microscopy and solid state NMR make use of two-dimensional crystals. We present a cyclodextrin-driven method for detergent removal implemented in a fully automated robot. The kinetics of the reconstitution processes is precisely controlled, because the detergent complexation by cyclodextrin is of stoichiometric nature. The method requires smaller volumes and lower protein concentrations than established 2D crystallization methods, making it possible to explore more conditions with the same amount of protein. The method yielded highly ordered 2D crystals diffracting to high resolution from the pore-forming toxin Aeromonas hydrophila aerolysin (2.9A), the plant aquaporin SoPIP2;1 (3.1A) and the human aquaporin-8 (hAQP8; 3.3A). This new method outperforms traditional 2D crystallization approaches in terms of accuracy, flexibility, throughput, and allows the usage of detergents having low critical micelle concentration (CMC), which stabilize the structure of membrane proteins in solution. (c) 2009 Elsevier Inc. All rights reserved.

Theory and simulation of buoyancy-driven convection around growing protein crystals in microgravity.

PubMed

Carotenuto, L; Cartwright, J H E; Castagnolo, D; Garcia Ruiz, J M; Otalora, F

2002-01-01

We present an order-of-magnitude analysis of the Navier-Stokes equations in a time-dependent, incompressible and Boussinesq formulation. The hypothesis employed of two different length scales allows one to determine the different flow regimes on the basis of the geometrical and thermodynamical parameters alone, without solving the Navier-Stokes equations. The order-of-magnitude analysis is then applied to the field of protein crystallization, and to the flow field around a crystal, where the driving forces are solutal buoyancy-driven convection, from density dependence on species concentration, and sedimentation caused by the different densities of the crystal and the protein solution. The main result of this paper is to provide predictions of the conditions in which a crystal is growing in a convective regime, rather than in the ideal diffusive state, even under the typical microgravity conditions of space platforms.

Quantitative determination of zero-gravity effects on electronic materials processing germanium crystal growth with simultaneous interface demarcation experiment MA-060, section 5

NASA Technical Reports Server (NTRS)

Gatos, H. C.; Witt, A. F.; Lichtensteiger, M.; Herman, C. J.

1982-01-01

The crystal growth and segregation characteristics of a melt in a directional solidification configuration under near zero g conditions were investigated. The germanium (doped with gallium) system was selected because it was extensively studied on Earth and because it lends itself to a very detailed macroscopic and microscopic characterization. An extensive study was performed of the germanium crystals grown during the Apollo-Soyuz Test Project mission. It was found that single crystal growth was achieved and that the interface demarcation functioned successfully. On the basis of the results obtained to date, there is no indication that convection driven by thermal or surface tension gradients was present in the melt. The gallium segregation, in the absence of gravity, was found to be fundamentally different in its initial and its subsequent stages from that of the ground based tests. None of the existing theoretical models for growth and segregation can account for the observed segregation behavior in the absence of gravity.

Biomimetic and Aggregation-Driven Crystallization Route for Room-Temperature Material Synthesis: Growth of β-Ga2O3 Nanoparticles Using Peptide Assemblies as Nanoreactors

PubMed Central

Lee, Sang-Yup; Gao, Xueyun; Matsui, Hiroshi

2008-01-01

The room temperature synthesis of β-Ga2O3 nanocrystal was examined by coupling two biomimetic crystallization techniques, the enzymatic peptide nano-assembly templating and the aggregation-driven crystallization. The catalytic template of peptide assembly nucleated and mineralized primary β-Ga2O3 crystals, and then fused them to grow single-crystalline and monodisperse nanoparticles in the cavity of the peptide assembly at room temperature. In this work, the peptide assembly was exploited as a nano-reactor with an enzymatic functionality catalyzing the hydrolysis of gallium precursors. In addition, the characteristic ring-structure of peptide assembly is expected to provide an efficient dehydration pathway and the crystallization control over the surface tension, which are advantageous for the β-Ga2O3 crystal growth. This multifunctional peptide assembly could be applied for syntheses of a variety of nanomaterials that are kinetically difficult to grow at room temperature. PMID:17302413

Electrically Driven Photonic Crystal Nanocavity Devices

DTIC Science & Technology

2012-01-01

material, here gallium arsenide and indium arsenide self- assembled quantum dots (QDs). QDs are preferred for the gain medium because they can have...blue points ) and 150 K (green points ). The black lines are linear fits to the above threshold output power of the lasers, which are used to find the...SHAMBAT et al.: ELECTRICALLY DRIVEN PHOTONIC CRYSTAL NANOCAVITY DEVICES 1707 Fig. 13. (a) Tilted SEM picture of a fabricated triple cavity device. The in

Dynamical quantum phase transitions in discrete time crystals

NASA Astrophysics Data System (ADS)

Kosior, Arkadiusz; Sacha, Krzysztof

2018-05-01

Discrete time crystals are related to nonequilibrium dynamics of periodically driven quantum many-body systems where the discrete time-translation symmetry of the Hamiltonian is spontaneously broken into another discrete symmetry. Recently, the concept of phase transitions has been extended to nonequilibrium dynamics of time-independent systems induced by a quantum quench, i.e., a sudden change of some parameter of the Hamiltonian. There, the return probability of a system to the ground state reveals singularities in time which are dubbed dynamical quantum phase transitions. We show that the quantum quench in a discrete time crystal leads to dynamical quantum phase transitions where the return probability of a periodically driven system to a Floquet eigenstate before the quench reveals singularities in time. It indicates that dynamical quantum phase transitions are not restricted to time-independent systems and can be also observed in systems that are periodically driven. We discuss how the phenomenon can be observed in ultracold atomic gases.

Numerical modeling of heat transfer in molten silicon during directional solidification process

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

Srinivasan, M.; Ramasamy, P., E-mail: ramasamyp@ssn.edu.in

2015-06-24

Numerical investigation is performed for some of the thermal and fluid flow properties of silicon melt during directional solidification by numerical modeling. Dimensionless numbers are extremely useful to understand the heat and mass transfer of fluid flow on Si melt and control the flow patterns during crystal growth processes. The average grain size of whole crystal would increase when the melt flow is laminar. In the silicon growth process, the melt flow is mainly driven by the buoyancy force resulting from the horizontal temperature gradient. The thermal and flow pattern influences the quality of the crystal through the convective heatmore » and mass transport. The computations are carried out in a 2D axisymmetric model using the finite-element technique. The buoyancy effect is observed in the melt domain for a constant Rayleigh number and for different Prandtl numbers. The convective heat flux and Reynolds numbers are studied in the five parallel horizontal cross section of melt silicon region. And also, velocity field is simulated for whole melt domain with limited thermal boundaries. The results indicate that buoyancy forces have a dramatic effect on the most of melt region except central part.« less

Quantum Hooke's Law to Classify Pulse Laser Induced Ultrafast Melting

NASA Astrophysics Data System (ADS)

Hu, Hao; Ding, Hepeng; Liu, Feng

2014-03-01

We investigate the ultrafast crystal-to-amorphous phase transition induced by femtosecond pulse laser excitation by exploiting the property of quantum electronic stress (QES) induced by the electron-hole plasma, which follows quantum Hooke's law. We demonstrates that two types of crystal-to-amorphous transitions occur in two distinct material classes: the faster nonthermal process, having a time scale shorter than one picosecond (ps), must occur in materials like ice having an anomalous phase diagram characterized with dTm/dP <0, where Tm is the melting temperature and P is pressure; while the slower thermal process, having a time scale of several ps, occurs preferably in other materials. The nonthermal process is driven by the QES acting like a negative internal pressure, which is generated predominantly by the holes in the electron-hole plasma that increases linearly with hole density. These findings significantly advance our fundamental understanding of physics underlying the ultrafast crystal-to-amorphous phase transitions, enabling quantitative a priori prediction. The work was supported by DOE-BES (Grant # DE-FG02-04ER46148), NSF MRSEC (Grant No. DMR-1121252) and DOE EFRC (Grant Number DE-SC0001061).

Nonlinear unitary transformations of space-variant polarized light fields from self-induced geometric-phase optical elements

NASA Astrophysics Data System (ADS)

Kravets, Nina; Brasselet, Etienne

2018-01-01

We propose to couple the optical orientational nonlinearities of liquid crystals with their ability to self-organize to tailor them to control space-variant-polarized optical fields in a nonlinear manner. Experimental demonstration is made using a liquid crystal light valve that behaves like a light-driven geometric phase optical element. We also unveil two original nonlinear optical processes, namely self-induced separability and nonseparability. These results contribute to the advancement of nonlinear singular optics that is still in its infancy despite 25 years of effort, which may foster the development of nonlinear protocols to manipulate high-dimensional optical information both in the classical and quantum regimes.

A comparative study of the influence of buoyancy driven fluid flow on GaAs crystal growth

NASA Technical Reports Server (NTRS)

Kafalas, J. A.; Bellows, A. H.

1988-01-01

A systematic investigation of the effect of gravity driven fluid flow on GaAs crystal growth was performed. It includes GaAs crystal growth in the microgravity environment aboard the Space Shuttle. The program involves a controlled comparative study of crystal growth under a variety of earth based conditions with variable orientation and applied magnetic field in addition to the microgravity growth. Earth based growth will be performed under stabilizing as well as destabilizing temperature gradients. The boules grown in space and on earth will be fully characterized to correlate the degree of convection with the distribution of impurities. Both macro- and micro-segregation will be determined. The space growth experiment will be flown in a self-contained payload container through NASA's Get Away Special program.

Performance of direct-driven flapping-wing actuator with piezoelectric single-crystal PIN-PMN-PT

NASA Astrophysics Data System (ADS)

Ozaki, Takashi; Hamaguchi, Kanae

2018-02-01

We present a prototype flapping-wing actuator with a direct-driven mechanism to generate lift in micro- and nano-aerial vehicles. This mechanism has an advantage of simplicity because it has no transmission system between the actuator and wing. We fabricated the piezoelectric unimorph actuator from single-crystal PIN-PMN-PT, which achieved a lift force up to 1.45 mN, a value about 1.9 times larger than the mass of the actuator itself. This is the first reported demonstration of an insect-scale actuator with a direct-driven mechanism that can generate a lift force greater than its own weight.

Investigating Morphological Stability of Faceted Interfaces with Axial Heat Processing (AHP) Technique

NASA Technical Reports Server (NTRS)

Abbaschian, Reza; Balikci, Ercan; Deal, Andrew; Gonik, Michael; Golyshev, Viladimir D.; Leonardi, Eddie; deVahlDavis, G.; Chen, P. Y. P.; Timchenko, V.

2003-01-01

Successful processing of homogeneous semiconductor single crystals from their melts depends strongly on precise control of thermal and fluid flow conditions near the solid/liquid interface. In this project, we utilize a novel crystal growth technique called Axial Heat Processing (AHP) that uses a baffle, positioned inside the melt near the interface, to supply and/or conduct heat axially to the interface. The baffle, which may or may not have a heater encased in it, can promote more stable and planar growth as well as reduce buoyancy driven convection. The latter is because the baffle reduces the aspect ratio of the melt as it separates the melt into three sections, above the baffle, in the feed gap between the baffle and the crucible wall, and below the baffle between the baffle base and the interface. AHP also enables a close monitoring and/or control of thermal boundaries near the solid/liquid interface during crystal growth by means of thermocouples placed in the baffle. The interface is kept planar when a heating element in the baffle is used. However, a proper choice of melt height is necessary to keep the interface planar when using the baffle without a heater. This study addresses the influence of melt height and growth velocity on the segregation profile of AHP-grown Sb doped Ge single crystals.

Nonequilibrium Interlayer Transport in Pulsed Laser Deposition

NASA Astrophysics Data System (ADS)

Tischler, J. Z.; Eres, Gyula; Larson, B. C.; Rouleau, Christopher M.; Zschack, P.; Lowndes, Douglas H.

2006-06-01

We use time-resolved surface x-ray diffraction measurements with microsecond range resolution to study the growth kinetics of pulsed laser deposited SrTiO3. Time-dependent surface coverages corresponding to single laser shots were determined directly from crystal truncation rod intensity transients. Analysis of surface coverage evolution shows that extremely fast nonequilibrium interlayer transport, which occurs concurrently with the arrival of the laser plume, dominates the deposition process. A much smaller fraction of material, which is governed by the dwell time between successive laser shots, is transferred by slow, thermally driven interlayer transport processes.

Crystalline nucleation in undercooled liquids: a Bayesian data-analysis approach for a nonhomogeneous Poisson process.

PubMed

Filipponi, A; Di Cicco, A; Principi, E

2012-12-01

A Bayesian data-analysis approach to data sets of maximum undercooling temperatures recorded in repeated melting-cooling cycles of high-purity samples is proposed. The crystallization phenomenon is described in terms of a nonhomogeneous Poisson process driven by a temperature-dependent sample nucleation rate J(T). The method was extensively tested by computer simulations and applied to real data for undercooled liquid Ge. It proved to be particularly useful in the case of scarce data sets where the usage of binned data would degrade the available experimental information.

The Effects of Thermal History on Nucleation of Tetragonal Lysozyme Crystals, or Hot Protein and Cold Nucleation

NASA Technical Reports Server (NTRS)

Burke, Michael; Judge, Russell; Pusey, Marc

2000-01-01

Chicken egg white lysozyme has a well characterized thermally driven phase transition. Between pH 4.2 and 5.2, the transition temperature, as defined by the point where the tetragonal and orthorhombic solubilities are equal, is a function of the pH, salt (precipitant) type and concentration, and most likely of the buffer concentration as well. This phase transition can be carried out with protein solution alone, prior to addition of precipitant solution. Warming a lysozyme solution above the phase transition point, then cooling it back below this point, has been shown to affect the subsequent nucleation rate, as determined by the numbers and size of crystals formed, but not the growth rate for the tetragonal crystal form . We have now measured the kinetics of this process and investigated its reversibility. The transition effects are progressive with temperature, having a half time of about 1 hour at 37C at pH 4.8. After holding a lysozyme solution at 37C (prior to addition of precipitant) for 16 hours, then cooling it back to 4C no return to the pre-warmed nucleation kinetics are observed after at least 4 weeks. Orthorhombic lysozyme crystals apparently do not undergo the flow-induced growth cessation of tetragonal lysozyme crystals. Putting the protein in the orthorhombic form does not affect the averaged face growth kinetics, only nucleation, for tetragonal crystals. This differential behaviour may be exploited to elucidate how and where flow affects the lysozyme crystal growth process. The presentation will focus on the results of these and ongoing studies in this area.

Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams

PubMed Central

Coquelle, Nicolas; Brewster, Aaron S.; Kapp, Ulrike; Shilova, Anastasya; Weinhausen, Britta; Burghammer, Manfred; Colletier, Jacques-Philippe

2015-01-01

High-resolution structural information was obtained from lysozyme microcrystals (20 µm in the largest dimension) using raster-scanning serial protein crystallography on micro- and nano-focused beamlines at the ESRF. Data were collected at room temperature (RT) from crystals sandwiched between two silicon nitride wafers, thereby preventing their drying, while limiting background scattering and sample consumption. In order to identify crystal hits, new multi-processing and GUI-driven Python-based pre-analysis software was developed, named NanoPeakCell, that was able to read data from a variety of crystallographic image formats. Further data processing was carried out using CrystFEL, and the resultant structures were refined to 1.7 Å resolution. The data demonstrate the feasibility of RT raster-scanning serial micro- and nano-protein crystallography at synchrotrons and validate it as an alternative approach for the collection of high-resolution structural data from micro-sized crystals. Advantages of the proposed approach are its thriftiness, its handling-free nature, the reduced amount of sample required, the adjustable hit rate, the high indexing rate and the minimization of background scattering. PMID:25945583

Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams

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

Coquelle, Nicolas; Brewster, Aaron S.; Kapp, Ulrike

High-resolution structural information was obtained from lysozyme microcrystals (20 µm in the largest dimension) using raster-scanning serial protein crystallography on micro- and nano-focused beamlines at the ESRF. Data were collected at room temperature (RT) from crystals sandwiched between two silicon nitride wafers, thereby preventing their drying, while limiting background scattering and sample consumption. In order to identify crystal hits, new multi-processing and GUI-driven Python-based pre-analysis software was developed, named NanoPeakCell, that was able to read data from a variety of crystallographic image formats. Further data processing was carried out using CrystFEL, and the resultant structures were refined to 1.7 Åmore » resolution. The data demonstrate the feasibility of RT raster-scanning serial micro- and nano-protein crystallography at synchrotrons and validate it as an alternative approach for the collection of high-resolution structural data from micro-sized crystals. Advantages of the proposed approach are its thriftiness, its handling-free nature, the reduced amount of sample required, the adjustable hit rate, the high indexing rate and the minimization of background scattering.« less

Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams.

PubMed

Coquelle, Nicolas; Brewster, Aaron S; Kapp, Ulrike; Shilova, Anastasya; Weinhausen, Britta; Burghammer, Manfred; Colletier, Jacques Philippe

2015-05-01

High-resolution structural information was obtained from lysozyme microcrystals (20 µm in the largest dimension) using raster-scanning serial protein crystallography on micro- and nano-focused beamlines at the ESRF. Data were collected at room temperature (RT) from crystals sandwiched between two silicon nitride wafers, thereby preventing their drying, while limiting background scattering and sample consumption. In order to identify crystal hits, new multi-processing and GUI-driven Python-based pre-analysis software was developed, named NanoPeakCell, that was able to read data from a variety of crystallographic image formats. Further data processing was carried out using CrystFEL, and the resultant structures were refined to 1.7 Å resolution. The data demonstrate the feasibility of RT raster-scanning serial micro- and nano-protein crystallography at synchrotrons and validate it as an alternative approach for the collection of high-resolution structural data from micro-sized crystals. Advantages of the proposed approach are its thriftiness, its handling-free nature, the reduced amount of sample required, the adjustable hit rate, the high indexing rate and the minimization of background scattering.

Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams

DOE PAGES

Coquelle, Nicolas; Brewster, Aaron S.; Kapp, Ulrike; ...

2015-04-25

High-resolution structural information was obtained from lysozyme microcrystals (20 µm in the largest dimension) using raster-scanning serial protein crystallography on micro- and nano-focused beamlines at the ESRF. Data were collected at room temperature (RT) from crystals sandwiched between two silicon nitride wafers, thereby preventing their drying, while limiting background scattering and sample consumption. In order to identify crystal hits, new multi-processing and GUI-driven Python-based pre-analysis software was developed, named NanoPeakCell, that was able to read data from a variety of crystallographic image formats. Further data processing was carried out using CrystFEL, and the resultant structures were refined to 1.7 Åmore » resolution. The data demonstrate the feasibility of RT raster-scanning serial micro- and nano-protein crystallography at synchrotrons and validate it as an alternative approach for the collection of high-resolution structural data from micro-sized crystals. Advantages of the proposed approach are its thriftiness, its handling-free nature, the reduced amount of sample required, the adjustable hit rate, the high indexing rate and the minimization of background scattering.« less

Flow-Directed Crystallization for Printed Electronics.

PubMed

Qu, Ge; Kwok, Justin J; Diao, Ying

2016-12-20

The solution printability of organic semiconductors (OSCs) represents a distinct advantage for materials processing, enabling low-cost, high-throughput, and energy-efficient manufacturing with new form factors that are flexible, stretchable, and transparent. While the electronic performance of OSCs is not comparable to that of crystalline silicon, the solution processability of OSCs allows them to complement silicon by tackling challenging aspects for conventional photolithography, such as large-area electronics manufacturing. Despite this, controlling the highly nonequilibrium morphology evolution during OSC printing remains a challenge, hindering the achievement of high electronic device performance and the elucidation of structure-property relationships. Many elegant morphological control methodologies have been developed in recent years including molecular design and novel processing approaches, but few have utilized fluid flow to control morphology in OSC thin films. In this Account, we discuss flow-directed crystallization as an effective strategy for controlling the crystallization kinetics during printing of small molecule and polymer semiconductors. Introducing the concept of flow-directed crystallization to the field of printed electronics is inspired by recent advances in pharmaceutical manufacturing and flow processing of flexible-chain polymers. Although flow-induced crystallization is well studied in these areas, previous findings may not apply directly to the field of printed electronics where the molecular structures (i.e., rigid π-conjugated backbone decorated with flexible side chains) and the intermolecular interactions (i.e., π-π interactions, quadrupole interactions) of OSCs differ substantially from those of pharmaceuticals or flexible-chain polymers. Another critical difference is the important role of solvent evaporation in open systems, which defines the flow characteristics and determines the crystallization kinetics and pathways. In other words, flow-induced crystallization is intimately coupled with the mass transport processes driven by solvent evaporation during printing. In this Account, we will highlight these distinctions of flow-directed crystallization for printed electronics. In the context of solution printing of OSCs, the key issue that flow-directed crystallization addresses is the kinetics mismatch between crystallization and various transport processes during printing. We show that engineering fluid flows can tune the kinetics of OSC crystallization by expediting the nucleation and crystal growth processes, significantly enhancing thin film morphology and device performance. For small molecule semiconductors, nucleation can be enhanced and patterned by directing the evaporative flux via contact line engineering, and defective crystal growth can be alleviated by enhancing mass transport to yield significantly improved coherence length and reduced grain boundaries. For conjugated polymers, extensional and shear flow can expedite nucleation through flow-induced conformation change, facilitating the control of microphase separation, degree of crystallinity, domain alignment, and percolation. Although the nascent concept of flow-directed solution printing has not yet been widely adopted in the field of printed electronics, we anticipate that it can serve as a platform technology in the near future for improving device performance and for systematically tuning thin film morphology to construct structure-property relationships. From a fundamental perspective, it is imperative to develop a better understanding of the effects of fluid flow and mass transport on OSC crystallization as these processes are ubiquitous across all solution processing techniques and can critically impact charge transport properties.

Entropically Driven Self-Assembly of Colloidal Crystals on Templates in Space

NASA Technical Reports Server (NTRS)

Yodh, Arjun G.; Zimmerli, Gregory A.

2002-01-01

These experiments aim to create new colloidal crystalline materials, to study the assembly and thermodynamics of these materials, to measure the optical properties of these materials. and to fix the resulting structures so that they can be brought back and studied on earth. In microgravity, the elimination of particle sedimentation effects creates a purely "thermodynamic" environment for colloidal suspensions wherein particle size, volume fraction, and interparticle interactions are the primary determinants of the assembled structures. We will control the colloidal assembly process using attractive, entropic particle interactions brought about by the depletion effect. By using attractive interactions for colloidal assembly we create conditions for growth that resemble those associated with "conventional" microscopic systems such as atoms and molecules. This approach differs qualitatively from the more common "space-filling" mode of colloidal crystal growth that is driven purely by packing constraints. It is anticipated that at least some of the solidified structures will survive reentry to earth's gravitational field, and that their optical, magnetic, and electrical properties can then be studied in detail upon return.

Electrically-pumped, broad-area, single-mode photonic crystal lasers.

PubMed

Zhu, Lin; Chak, Philip; Poon, Joyce K S; DeRose, Guy A; Yariv, Amnon; Scherer, Axel

2007-05-14

Planar broad-area single-mode lasers, with modal widths of the order of tens of microns, are technologically important for high-power applications and improved coupling efficiency into optical fibers. They may also find new areas of applications in on-chip integration with devices that are of similar size scales, such as for spectroscopy in microfluidic chambers or optical signal processing with micro-electromechanical systems. An outstanding challenge is that broad-area lasers often require external means of control, such as injection-locking or a frequency/spatial filter to obtain single-mode operation. In this paper, we propose and demonstrate effective index-guided, large-area, edge-emitting photonic crystal lasers driven by pulsed electrical current injection at the optical telecommunication wavelength of 1550 nm. By suitable design of the photonic crystal lattice, our lasers operate in a single mode with a 1/e(2) modal width of 25 microm and a length of 600 microm.

Sidewall crystallization and saturation front formation in silicic magma chambers

NASA Astrophysics Data System (ADS)

Lake, E. T.

2012-12-01

The cooling and crystallization style of silicic magma bodies in the upper crust falls on a continuum between whole-chamber processes of convection, crystal settling, and cumulate formation and interface driven processes of conduction and crystallization front migration. In the former case, volatile saturation occurs uniformly chamber wide, in the latter volatile saturation occurs along an inward propagating front. Ambient thermal gradient primarily controls the propagation rate; warm (> 30 °C / km) geothermal gradients promote 1000m+ thick crystal mush zones but slow crystallization front propagation. Cold geothermal gradients support the opposite. Magma chamber geometry plays a second order role in controlling propagation rates; bodies with high surface to magma ratio and large Earth's surface parallel faces exhibit more rapid propagation and smaller mush zones. Crystallization front propagation occurs at speeds of up to 6 cm/year (rhyolitic magma, thin sill geometry, 10 °C / km geotherm), far faster than diffusion of volatiles in magma and faster than bubbles can nucleate and ascend under certain conditions. Saturation front propagation is fixed by pressure and magma crystal content; above certain modest initial water contents (4.4 wt% in a dacite) mobile magma above 10 km depth always contains a saturation front. Saturation fronts propagate down from the magma chamber roof at lower water contents (3.3 wt% in a dacite at 5 km depth), creating an upper saturated interface for most common (4 - 6 wt%) magma water contents. This upper interface promotes the production of a fluid pocket underneath the apex of the magma chamber. Magma de-densification by bubble nucleation promotes convection and homogenization in dacitic systems. If the fluid pocket grew rapidly without draining, hydro-fracturing and eruption would result. The combination of fluid escape pathways and metal scavenging would generate economic vein or porphyry deposits.

Photonic crystal nanocavity assisted rejection ratio tunable notch microwave photonic filter

PubMed Central

Long, Yun; Xia, Jinsong; Zhang, Yong; Dong, Jianji; Wang, Jian

2017-01-01

Driven by the increasing demand on handing microwave signals with compact device, low power consumption, high efficiency and high reliability, it is highly desired to generate, distribute, and process microwave signals using photonic integrated circuits. Silicon photonics offers a promising platform facilitating ultracompact microwave photonic signal processing assisted by silicon nanophotonic devices. In this paper, we propose, theoretically analyze and experimentally demonstrate a simple scheme to realize ultracompact rejection ratio tunable notch microwave photonic filter (MPF) based on a silicon photonic crystal (PhC) nanocavity with fixed extinction ratio. Using a conventional modulation scheme with only a single phase modulator (PM), the rejection ratio of the presented MPF can be tuned from about 10 dB to beyond 60 dB. Moreover, the central frequency tunable operation in the high rejection ratio region is also demonstrated in the experiment. PMID:28067332

Photonic crystal nanocavity assisted rejection ratio tunable notch microwave photonic filter

NASA Astrophysics Data System (ADS)

Long, Yun; Xia, Jinsong; Zhang, Yong; Dong, Jianji; Wang, Jian

2017-01-01

Driven by the increasing demand on handing microwave signals with compact device, low power consumption, high efficiency and high reliability, it is highly desired to generate, distribute, and process microwave signals using photonic integrated circuits. Silicon photonics offers a promising platform facilitating ultracompact microwave photonic signal processing assisted by silicon nanophotonic devices. In this paper, we propose, theoretically analyze and experimentally demonstrate a simple scheme to realize ultracompact rejection ratio tunable notch microwave photonic filter (MPF) based on a silicon photonic crystal (PhC) nanocavity with fixed extinction ratio. Using a conventional modulation scheme with only a single phase modulator (PM), the rejection ratio of the presented MPF can be tuned from about 10 dB to beyond 60 dB. Moreover, the central frequency tunable operation in the high rejection ratio region is also demonstrated in the experiment.

Photonic crystal nanocavity assisted rejection ratio tunable notch microwave photonic filter.

PubMed

Long, Yun; Xia, Jinsong; Zhang, Yong; Dong, Jianji; Wang, Jian

2017-01-09

Driven by the increasing demand on handing microwave signals with compact device, low power consumption, high efficiency and high reliability, it is highly desired to generate, distribute, and process microwave signals using photonic integrated circuits. Silicon photonics offers a promising platform facilitating ultracompact microwave photonic signal processing assisted by silicon nanophotonic devices. In this paper, we propose, theoretically analyze and experimentally demonstrate a simple scheme to realize ultracompact rejection ratio tunable notch microwave photonic filter (MPF) based on a silicon photonic crystal (PhC) nanocavity with fixed extinction ratio. Using a conventional modulation scheme with only a single phase modulator (PM), the rejection ratio of the presented MPF can be tuned from about 10 dB to beyond 60 dB. Moreover, the central frequency tunable operation in the high rejection ratio region is also demonstrated in the experiment.

Control of spontaneous emission from a microwave-field-driven four-level atom in an anisotropic photonic crystal

NASA Astrophysics Data System (ADS)

Zhang, Duo; Li, Jiahua; Ding, Chunling; Yang, Xiaoxue

2012-05-01

The spontaneous emission properties of a microwave-field-driven four-level atom embedded in anisotropic double-band photonic crystals (PCs) are investigated. We discuss the influences of the band-edge positions, Rabi frequency and detuning of the microwave field on the emission spectrum. It is found that several interesting features such as spectral-line enhancement, spectral-line suppression, spectral-line overlap, and multi-peak structures can be observed in the spectra. The proposed scheme can be achieved by use of a microwave-coupled field into hyperfine levels in rubidium atom confined in a photonic crystal. These theoretical investigations may provide more degrees of freedom to manipulate the atomic spontaneous emission.

Crystal-field-driven redox reactions: How common minerals split H2O and CO2 into reduced H2 and C plus oxygen

NASA Technical Reports Server (NTRS)

Freund, F.; Batllo, F.; Leroy, R. C.; Lersky, S.; Masuda, M. M.; Chang, S.

1991-01-01

It is difficult to prove the presence of molecular H2 and reduced C in minerals containing dissolved H2 and CO2. A technique was developed which unambiguously shows that minerals grown in viciously reducing environments contain peroxy in their crystal structures. The peroxy represent interstitial oxygen atoms left behind when the solute H2O and/or CO2 split off H2 and C as a result of internal redox reactions, driven by the crystal field. The observation of peroxy affirms the presence of H2 and reduced C. It shows that the solid state is indeed an unusual reaction medium.

Liquid Crystal Mediated Nano-assembled Gold Micro-shells

NASA Astrophysics Data System (ADS)

Quint, Makiko; Sarang, Som; Quint, David; Huang, Kerwyn; Gopinathan, Ajay; Hirst, Linda; Ghosh, Sayantani

We have created 3D nano-assenbled micro-shell by using thermotropic liquid crystal (LC), 4-Cyano-4'-pentylbiphenyl (5CB), doped with mesogen-functionalized gold nanoparticles (AuNPs). The assembly process is driven by the isotropic-nematic phase transition dynamics. We uniformly disperse the functionalized AuNPs into isotropic liquid crystal matrix and the mixture is cooled from the isotropic to the nematic phase. During the phase transition, the separation of LC-AuNP rich isotropic and ordered 5CB rich domains cause the functionalized AuNPs to move into the shrinking isotropic regions. The mesogenic ligands are locally crystalized during this process, which leads to the formation of a spherical shell with a densely packed wall of AuNPs. These micro-shells are capable of encapsulating fluorescence dye without visible leakages for several months. Additionally, they demonstrate strong localized surface plasmon resonance, which leads to localized heating on optical excitation. This photothermal effect disrupts the structure, releasing contents within seconds. Our results exhibiting the capture and optically regulated release of encapsulated substances is a novel platform that combines drug-delivery and photothermal therapy in one versatile and multifunctional unit. This work is supported by the NSF Grants No. DMR-1056860, ECC-1227034, and a University of California Merced Faculty Mentor Fellowship.

Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams

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

Coquelle, Nicolas; CNRS, IBS, 38044 Grenoble; CEA, IBS, 38044 Grenoble

A raster scanning serial protein crystallography approach is presented, that consumes as low ∼200–700 nl of sedimented crystals. New serial data pre-analysis software, NanoPeakCell, is introduced. High-resolution structural information was obtained from lysozyme microcrystals (20 µm in the largest dimension) using raster-scanning serial protein crystallography on micro- and nano-focused beamlines at the ESRF. Data were collected at room temperature (RT) from crystals sandwiched between two silicon nitride wafers, thereby preventing their drying, while limiting background scattering and sample consumption. In order to identify crystal hits, new multi-processing and GUI-driven Python-based pre-analysis software was developed, named NanoPeakCell, that was able tomore » read data from a variety of crystallographic image formats. Further data processing was carried out using CrystFEL, and the resultant structures were refined to 1.7 Å resolution. The data demonstrate the feasibility of RT raster-scanning serial micro- and nano-protein crystallography at synchrotrons and validate it as an alternative approach for the collection of high-resolution structural data from micro-sized crystals. Advantages of the proposed approach are its thriftiness, its handling-free nature, the reduced amount of sample required, the adjustable hit rate, the high indexing rate and the minimization of background scattering.« less

Fluorescence kinetics of PSII crystals containing Ca(2+) or Sr(2+) in the oxygen evolving complex.

PubMed

van Oort, Bart; Kargul, Joanna; Maghlaoui, Karim; Barber, James; van Amerongen, Herbert

2014-02-01

Photosystem II (PSII) is the pigment-protein complex which converts sunlight energy into chemical energy by catalysing the process of light-driven oxidation of water into reducing equivalents in the form of protons and electrons. Three-dimensional structures from x-ray crystallography have been used extensively to model these processes. However, the crystal structures are not necessarily identical to those of the solubilised complexes. Here we compared picosecond fluorescence of solubilised and crystallised PSII core particles isolated from the thermophilic cyanobacterium Thermosynechococcus elongatus. The fluorescence of the crystals is sensitive to the presence of artificial electron acceptors (K3Fe(CN)3) and electron transport inhibitors (DCMU). In PSII with reaction centres in the open state, the picosecond fluorescence of PSII crystals and solubilised PSII is indistinguishable. Additionally we compared picosecond fluorescence of native PSII with PSII in which Ca(2) in the oxygen evolving complex (OEC) is biosynthetically replaced by Sr(2+). With the Sr(2+) replaced OEC the average fluorescence decay slows down slightly (81ps to 85ps), and reaction centres are less readily closed, indicating that both energy transfer/trapping and electron transfer are affected by the replacement. Copyright © 2013. Published by Elsevier B.V.

Role of tool marks inside spherical mitigation pit fabricated by micro-milling on repairing quality of damaged KH2PO4 crystal

PubMed Central

Chen, Ming-Jun; Cheng, Jian; Yuan, Xiao-Dong; Liao, Wei; Wang, Hai-Jun; Wang, Jing-He; Xiao, Yong; Li, Ming-Quan

2015-01-01

Repairing initial slight damage site into stable structures by engineering techniques is the leading strategy to mitigate the damage growth on large-size components used in laser-driven fusion facilities. For KH2PO4 crystals, serving as frequency converter and optoelectronic switch-Pockels cell, micro-milling has been proven the most promising method to fabricate these stable structures. However, tool marks inside repairing pit would be unavoidably introduced due to the wearing of milling cutter in actual repairing process. Here we quantitatively investigate the effect of tool marks on repairing quality of damaged crystal components by simulating its induced light intensification and testing the laser-induced damage threshold. We found that due to the formation of focusing hot spots and interference ripples, the light intensity is strongly enhanced with the presence of tool marks, especially for those on rear surfaces. Besides, the negative effect of tool marks is mark density dependent and multiple tool marks would aggravate the light intensification. Laser damage tests verified the role of tool marks as weak points, reducing the repairing quality. This work offers new criterion to comprehensively evaluate the quality of repaired optical surfaces to alleviate the bottleneck issue of low laser damage threshold for optical components in laser-driven fusion facilities. PMID:26399624

Influence of precipitating agents on thermodynamic parameters of protein crystallization solutions.

PubMed

Stavros, Philemon; Saridakis, Emmanuel; Nounesis, George

2016-09-01

X-ray crystallography is the most powerful method for determining three-dimensional structures of proteins to (near-)atomic resolution, but protein crystallization is a poorly explained and often intractable phenomenon. Differential Scanning Calorimetry was used to measure the thermodynamic parameters (ΔG, ΔH, ΔS) of temperature-driven unfolding of two globular proteins, lysozyme, and ribonuclease A, in various salt solutions. The mixtures were categorized into those that were conducive to crystallization of the protein and those that were not. It was found that even fairly low salt concentrations had very large effects on thermodynamic parameters. High concentrations of salts conducive to crystallization stabilized the native folded forms of proteins, whereas high concentrations of salts that did not crystallize them tended to destabilize them. Considering the ΔH and TΔS contributions to the ΔG of unfolding separately, high concentrations of crystallizing salts were found to enthalpically stabilize and entropically destabilize the protein, and vice-versa for the noncrystallizing salts. These observations suggest an explanation, in terms of protein stability and entropy of hydration, of why some salts are good crystallization agents for a given protein and others are not. This in turn provides theoretical insight into the process of protein crystallization, suggesting ways of predicting and controlling it. © 2016 Wiley Periodicals, Inc. Biopolymers 105: 642-652, 2016. © 2016 Wiley Periodicals, Inc.

Colloidal crystal growth monitored by Bragg diffraction interference fringes.

PubMed

Bohn, Justin J; Tikhonov, Alexander; Asher, Sanford A

2010-10-15

We monitored the crystal growth kinetics of crystallization of a shear melted crystalline colloidal array (CCA). The fcc CCA heterogeneously nucleates at the flow cell wall surface. We examined the evolution of the (1 1 1) Bragg diffraction peak, and, for the first time, quantitatively monitored growth by measuring the temporal evolution of the Bragg diffraction interference fringes. Modeling of the evolution of the fringe patterns exposes the time dependence of the increasing crystal thickness. The initial diffusion-driven linear growth is followed by ripening-driven growth. Between 80 and 90 microM NaCl concentrations the fcc crystals first linearly grow at rates between 1.9 and 4.2 microm/s until they contact homogeneously nucleated crystals in the bulk. At lower salt concentrations interference fringes are not visible because the strong electrostatic interactions between particles result in high activation barriers, preventing defect annealing and leading to a lower crystal quality. The fcc crystals melt to a liquid phase at >90 microM NaCl concentrations. Increasing NaCl concentrations slow the fcc CCA growth rate consistent with the expectation of the classical Wilson-Frenkel growth theory. The final thickness of wall-nucleated CCA, that is determined by the competition between growth of heterogeneously and homogenously nucleated CCA, increases with higher NaCl concentrations. Copyright 2010 Elsevier Inc. All rights reserved.

The role of crystallization-driven exsolution on the sulfur mass balance in volcanic arc magmas

USGS Publications Warehouse

Su, Yanqing; Huber, Christian; Bachmann, Olivier; Zajacz, Zoltán; Wright, Heather M.; Vazquez, Jorge A.

2016-01-01

The release of large amounts of sulfur to the stratosphere during explosive eruptions affects the radiative balance in the atmosphere and consequentially impacts climate for up to several years after the event. Quantitative estimations of the processes that control the mass balance of sulfur between melt, crystals, and vapor bubbles is needed to better understand the potential sulfur yield of individual eruption events and the conditions that favor large sulfur outputs to the atmosphere. The processes that control sulfur partitioning in magmas are (1) exsolution of volatiles (dominantly H2O) during decompression (first boiling) and during isobaric crystallization (second boiling), (2) the crystallization and breakdown of sulfide or sulfate phases in the magma, and (3) the transport of sulfur-rich vapor (gas influx) from deeper unerupted regions of the magma reservoir. Vapor exsolution and the formation/breakdown of sulfur-rich phases can all be considered as closed-system processes where mass balance arguments are generally easier to constrain, whereas the contribution of sulfur by vapor transport (open system process) is more difficult to quantify. The ubiquitous “excess sulfur” problem, which refers to the much higher sulfur mass released during eruptions than what can be accounted for by amount of sulfur originally dissolved in erupted melt, as estimated from melt inclusion sulfur concentrations (the “petrologic estimate”), reflects the challenges in closing the sulfur mass balance between crystals, melt, and vapor before and during a volcanic eruption. In this work, we try to quantify the relative importance of closed- and open-system processes for silicic arc volcanoes using kinetic models of sulfur partitioning during exsolution. Our calculations show that crystallization-induced exsolution (second boiling) can generate a significant fraction of the excess sulfur observed in crystal-rich arc magmas. This result does not negate the important role of vapor migration in sulfur mass balance but rather points out that second boiling (in situ exsolution) can provide the necessary yield to drive the excess sulfur to the levels observed for crystal-rich systems. In contrast, in crystal-poor systems, magma recharge that releases sulfur-rich bubbles is necessary and most likely the primary contributor to sulfur mass balance. Finally, we apply our model to account for the effect of sulfur partitioning during second boiling and its impact on sulfur released during the Cerro Galan supereruption in Argentina (2.08 Ma) and show the potential importance of second boiling in releasing a large amount of sulfur to the atmosphere during the eruption of large crystal-rich ignimbrites.

Orbicules and Comb Layers: Igneous Layering in Shallow Plutons as a Result of Mineral Growth in Subvolcanic Conduits

NASA Astrophysics Data System (ADS)

McCarthy, A. J.; Müntener, O.

2017-12-01

Different processes have been proposed to explain the variety of igneous layering in plutonic rocks. Vertical layering in particular has been described as resulting from various processes such as Ostwald ripening, oscillatory crystallization or reactive mush infiltration in cooling plutons. Comb layers and orbicules are formed by the growth of elongated, feather-like minerals growing ±perpendicular to the layering and nucleating either on dyke walls (comb layers) or on xenoliths (orbicules) at the contact between homogenous plutons. Through a detailed study of the mineralogy, bulk chemistry and the size-frequency distribution of representative comb layers and orbicules of the 110Ma Fisher Lake Pluton (Sierra Nevada, USA), we show that comb layers and orbicules show no evidence of forming through a self-organizing, oscillatory crystallization process, but represent crystallization fronts resulting from in-situ crystallization and extraction of evolved melt fractions during decompression-driven crystallization of superheated melts in subvolcanic conduits. The microstructures are dominated by the formation of a plagioclase-dominated cres-cumulate at the mm- to m-scale. We propose that the crystal content of the melt and the dynamics of the magmatic system control the mechanisms responsible for vertical igneous layering in shallow reservoirs. Moreover, the mineralogical and compositional variation of orbicules rims and comb layers can be ascribed to variations in pressure, temperature and cooling rates within the subvolcanic conduit, with estimated growth timescales of mm- to m-thick orbicules and comb layers ranging from weeks to years. Moreover, though plagioclase-glomerocrysts found in erupted volcanic products are generally interpreted as remobilized crystal-mush, we propose that some glomerocrysts might represent "failed" orbicules forming within vertical conduits upon eruption. Such glomerocrysts, as well as orbicules found in erupted volcanic products, might allow for unique insights into the dynamics, timescales and P-T conditions within volcanic conduits upon eruption.

Microgravity

NASA Image and Video Library

2001-06-06

Gravity or density-driven convection occurs as protein molecules incorporate into a crystal lattice from the surrounding solution. The layer bordering the crystal (the depletion zone) then contains a less-dense protein concentration, causing the layer to rise. The remaining, denser solution sinks because of gravity, creating eddies that make it difficult for more protein molecules to attach to the crystal in an ordered way.

Electrohydrodynamic Flows in Electrochemical Systems

NASA Technical Reports Server (NTRS)

Saville, D. A.

2005-01-01

Recent studies have established a new class of assembly processes with colloidal suspensions. Particles are driven together to form large crystalline structures in both dc and ac fields. The current work centers on this new class of flows in ac fields. In the research carried out under the current award, it was established that: (i) Small colloidal particles crystallize near an electrode due to electrohydrodynamic flows induced by an sinusoidally varying applied potential. (ii) These flows originate due to disturbances in the electrode polarization layer arising from the presence of the particles. Inasmuch as the charge and the field strength both scale on the applied field, the flows are proportional to the square of the applied voltage. (iii) Suspensions of two different sorts of particles can be crystallized and will form well-ordered binary crystals. (iv) At high frequencies the EHD flows die out. Thus, with a homogeneous system the particles become widely spaced due to dipolar repulsion. With a binary suspension, however, the particles may become attractive due to dipolar attraction arising from differences in electrokinetic dipoles. Consequently binary crystals form at both high and low frequencies.

31P NMR study of discrete time-crystalline signatures in an ordered crystal of ammonium dihydrogen phosphate

NASA Astrophysics Data System (ADS)

Rovny, Jared; Blum, Robert L.; Barrett, Sean E.

2018-05-01

The rich dynamics and phase structure of driven systems include the recently described phenomenon of the "discrete time crystal" (DTC), a robust phase which spontaneously breaks the discrete time translation symmetry of its driving Hamiltonian. Experiments in trapped ions and diamond nitrogen vacancy centers have recently shown evidence for this DTC order. Here, we show nuclear magnetic resonance (NMR) data of DTC behavior in a third, strikingly different, system: a highly ordered spatial crystal in three dimensions. We devise a DTC echo experiment to probe the coherence of the driven system. We examine potential decay mechanisms for the DTC oscillations, and demonstrate the important effect of the internal Hamiltonian during nonzero duration pulses.

Magnetic Control of Solutal Buoyancy Driven Convection

NASA Technical Reports Server (NTRS)

Ramachandran, N.; Leslie, F. W.

2003-01-01

Volumetric forces resulting from local density variations and gravitational acceleration cause buoyancy induced convective motion in melts and solutions. Solutal buoyancy is a result of concentration differences in an otherwise isothermal fluid. If the fluid also exhibits variations in magnetic susceptibility with concentration then convection control by external magnetic fields can be hypothesized. Magnetic control of thermal buoyancy induced convection in ferrofluids (dispersions of ferromagnetic particles in a carrier fluid) and paramagnetic fluids have been demonstrated. Here we show the nature of magnetic control of solutal buoyancy driven convection of a paramagnetic fluid, an aqueous solution of Manganese Chloride hydrate. We predict the critical magnetic field required for balancing gravitational solutal buoyancy driven convection and validate it through a simple experiment. We demonstrate that gravity driven flow can be completely reversed by a magnetic field but the exact cancellation of the flow is not possible. This is because the phenomenon is unstable. The technique can be applied to crystal growth processes in order to reduce convection and to heat exchanger devices for enhancing convection. The method can also be applied to impose a desired g-level in reduced gravity applications.

Effects of vibration (G-jitters) on convection in micro-gravity

NASA Technical Reports Server (NTRS)

Wang, Francis C.

1994-01-01

To obtain high quality crystals, it is desirable to maintain a diffusion-limited transport process in a planar solidification surface between the solid and the melt during the crystal growth process. Due to the presence of buoyancy-driven convection, however, this situation is difficult to maintain on Earth. The microgravity environment of an orbiting space laboratory presents an alternative worth pursuing. With reduced gravity, convections very much suppressed in a space laboratory, making the environment more conducive for growing crystals with better quality. However, a space laboratory is not immune from any undesirable disturbances. Nonuniform and transient accelerations such as vibrations, g-jitters, and impulsive accelerations exist as a result of crew activities, space maneuvering, and the operations of on-board equipment. Measurements conducted on-board a U.S. Spacelab mission showed the existence of vibrations in the frequency range of 1 to 100 Hz. It was reported that a dominant mode of 17 Hz and harmonics of 54 Hz were observed and these were attributed to antenna operations. The vibration is not limited to any single plane but exists in all directions. Some data from the Russian MIR space station indicates the existence of vibration also at this frequency range.

Orientation dependence of temporal and spectral properties of high-order harmonics in solids [Orientation dependence of high-harmonic temporal and spectral properties in solids

DOE PAGES

Wu, Mengxi; You, Yongsing; Ghimire, Shambhu; ...

2017-12-18

We investigate the connection between crystal symmetry and temporal and spectral properties of high-order harmonics in solids. We calculate the orientation-dependent harmonic spectrum driven by an intense, linearly polarized infrared laser field, using a momentum-space description of the generation process in terms of strong-field-driven electron dynamics on the band structure. We show that the orientation dependence of both the spectral yield and the subcycle time profile of the harmonic radiation can be understood in terms of the coupling strengths and relative curvatures of the valence band and the low-lying conduction bands. In particular, we show that in some systems thismore » gives rise to a rapid shift of a quarter optical cycle in the timing of harmonics in the secondary plateau as the crystal is rotated relative to the laser polarization. Here, we address recent experimental results in MgO and show that the observed change in orientation dependence for the highest harmonics can be interpreted in the momentum space picture in terms of the contributions of several different conduction bands.« less

Orientation dependence of temporal and spectral properties of high-order harmonics in solids [Orientation dependence of high-harmonic temporal and spectral properties in solids

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

Wu, Mengxi; You, Yongsing; Ghimire, Shambhu

We investigate the connection between crystal symmetry and temporal and spectral properties of high-order harmonics in solids. We calculate the orientation-dependent harmonic spectrum driven by an intense, linearly polarized infrared laser field, using a momentum-space description of the generation process in terms of strong-field-driven electron dynamics on the band structure. We show that the orientation dependence of both the spectral yield and the subcycle time profile of the harmonic radiation can be understood in terms of the coupling strengths and relative curvatures of the valence band and the low-lying conduction bands. In particular, we show that in some systems thismore » gives rise to a rapid shift of a quarter optical cycle in the timing of harmonics in the secondary plateau as the crystal is rotated relative to the laser polarization. Here, we address recent experimental results in MgO and show that the observed change in orientation dependence for the highest harmonics can be interpreted in the momentum space picture in terms of the contributions of several different conduction bands.« less

Orientation dependence of temporal and spectral properties of high-order harmonics in solids

NASA Astrophysics Data System (ADS)

Wu, Mengxi; You, Yongsing; Ghimire, Shambhu; Reis, David A.; Browne, Dana A.; Schafer, Kenneth J.; Gaarde, Mette B.

2017-12-01

We investigate the connection between crystal symmetry and temporal and spectral properties of high-order harmonics in solids. We calculate the orientation-dependent harmonic spectrum driven by an intense, linearly polarized infrared laser field, using a momentum-space description of the generation process in terms of strong-field-driven electron dynamics on the band structure. We show that the orientation dependence of both the spectral yield and the subcycle time profile of the harmonic radiation can be understood in terms of the coupling strengths and relative curvatures of the valence band and the low-lying conduction bands. In particular, we show that in some systems this gives rise to a rapid shift of a quarter optical cycle in the timing of harmonics in the secondary plateau as the crystal is rotated relative to the laser polarization. We address recent experimental results in MgO [Y. S. You et al., Nat. Phys. 13, 345 (2017)., 10.1038/nphys3955] and show that the observed change in orientation dependence for the highest harmonics can be interpreted in the momentum space picture in terms of the contributions of several different conduction bands.

Field theory and diffusion creep predictions in polycrystalline aggregates

NASA Astrophysics Data System (ADS)

Villani, A.; Busso, E. P.; Forest, S.

2015-07-01

In polycrystals, stress-driven vacancy diffusion at high homologous temperatures leads to inelastic deformation. In this work, a novel continuum mechanics framework is proposed to describe the strain fields resulting from such a diffusion-driven process in a polycrystalline aggregate where grains and grain boundaries are explicitly considered. The choice of an anisotropic eigenstrain in the grain boundary region provides the driving force for the diffusive creep processes. The corresponding inelastic strain rate is shown to be related to the gradient of the vacancy flux. Dislocation driven deformation is then introduced as an additional mechanism, through standard crystal plasticity constitutive equations. The fully coupled diffusion-mechanical model is implemented into the finite element method and then used to describe the biaxial creep behaviour of FCC polycrystalline aggregates. The corresponding results revealed for the first time that such a coupled diffusion-stress approach, involving the gradient of the vacancy flux, can accurately predict the well-known macroscopic strain rate dependency on stress and grain size in the diffusion creep regime. They also predict strongly heterogeneous viscoplastic strain fields, especially close to grain boundaries triple junctions. Finally, a smooth transition from Herring and Coble to dislocation creep behaviour is predicted and compared to experimental results for copper.

Preliminary investigations of protein crystal growth using the Space Shuttle

NASA Technical Reports Server (NTRS)

Delucas, L. J.; Suddath, F. L.; Snyder, R.; Naumann, R.; Broom, M. B.; Pusey, M.; Yost, V.; Herren, B .; Carter, D.

1986-01-01

Four preliminary Shuttle experiments are described which have been used to develop prototype hardware for a more advanced system that will evaluate effects of gravity on protein crystal growth. The first phase of these experiments has centered on the development of micromethods for protein crystal growth by vapor-diffusion techniques (using a space version of the hanging-drop method) and on dialysis using microdialysis cells. Results suggest that the elimination of density-driven sedimentation can effect crystal morphology. In the dialysis experiment, space-grown crystals of concanavalin B were three times longer and 1/3 the thickness of earth-grown crystals.

Microgravity

NASA Image and Video Library

1997-11-01

The purpose of the experiments for the Advanced Automated Directional Solidification Furnace (AADSF) is to determine how gravity-driven convection affects the composition and properties of alloys (mixtures of two or more materials, usually metal). During the USMP-4 mission, the AADSF will solidify crystals of lead tin telluride and mercury cadmium telluride, alloys of compound semiconductor materials used to make infrared detectors and lasers, as experiment samples. Although these materials are used for the same type application their properties and compositional uniformity are affected differently during the solidification process.

Light driven mesoscale assembly of a coordination polymeric gelator into flowers and stars with distinct properties.

PubMed

Mukhopadhyay, Rahul Dev; Praveen, Vakayil K; Hazra, Arpan; Maji, Tapas Kumar; Ajayaghosh, Ayyappanpillai

2015-11-13

Control over the self-assembly process of porous organic-inorganic hybrids often leads to unprecedented polymorphism and properties. Herein we demonstrate how light can be a powerful tool to intervene in the kinetically controlled mesoscale self-assembly of a coordination polymeric gelator. Ultraviolet light induced coordination modulation via photoisomerisation of an azobenzene based dicarboxylate linker followed by aggregation mediated crystal growth resulted in two distinct morphological forms (flowers and stars), which show subtle differences in their physical properties.

Reversible shear-induced crystallization above equilibrium freezing temperature in a lyotropic surfactant system

PubMed Central

Rathee, Vikram; Krishnaswamy, Rema; Pal, Antara; Raghunathan, V. A.; Impéror-Clerc, Marianne; Pansu, Brigitte; Sood, A. K.

2013-01-01

We demonstrate a unique shear-induced crystallization phenomenon above the equilibrium freezing temperature in weakly swollen isotropic and lamellar mesophases with bilayers formed in a cationic-anionic mixed surfactant system. Synchrotron rheological X-ray diffraction study reveals the crystallization transition to be reversible under shear (i.e., on stopping the shear, the nonequilibrium crystalline phase melts back to the equilibrium mesophase). This is different from the shear-driven crystallization below , which is irreversible. Rheological optical observations show that the growth of the crystalline phase occurs through a preordering of the phase to an phase induced by shear flow, before the nucleation of the phase. Shear diagram of the phase constructed in the parameter space of shear rate vs. temperature exhibits and transitions above the equilibrium crystallization temperature , in addition to the irreversible shear-driven nucleation of in the phase below . In addition to revealing a unique class of nonequilibrium phase transition, the present study urges a unique approach toward understanding shear-induced phenomena in concentrated mesophases of mixed amphiphilic systems. PMID:23986497

The modeling, simulation, and control of transport phenomena in a thermally destabilizing Bridgman crystal growth system

NASA Astrophysics Data System (ADS)

Sonda, Paul Julio

This thesis presents a comprehensive examination of the modeling, simulation, and control of axisymmetric flows occurring in a vertical Bridgman crystal growth system with the melt underlying the crystal. The significant complexity and duration of the manufacturing process make experimental optimization a prohibitive task. Numerical simulation has emerged as a powerful tool in understanding the processing issues still prevalent in industry. A first-principles model is developed to better understand the transport phenomena within a representative vertical Bridgman system. The set of conservation equations for momentum, energy, and species concentration are discretized using the Galerkin finite element method and simulated using accurate time-marching schemes. Simulation results detail the occurrence of fascinating nonlinear dynamics, in the form of stable, time-varying behavior for sufficiently large melt regimes and multiple steady flow states. This discovery of time-periodic flows for high intensity flows is qualitatively consistent with experimental observations. Transient simulations demonstrate that process operating conditions have a marked effect on the hydrodynamic behavior within the melt, which consequently affects the dopant concentration profile within the crystal. The existence of nonlinear dynamical behavior within this system motivates the need for feedback control algorithms which can provide superior crystal quality. This work studies the feasibility of using crucible rotation to control flows in the vertical Bridgman system. Simulations show that crucible rotation acts to suppress the axisymmetric flows. However, for the case when the melt lies below the crystal, crucible rotation also acts to accelerate the onset of time-periodic behavior. This result is attributed to coupling between the centrifugal force and the intense, buoyancy-driven flows. Proportional, proportional-integral, and input-output linearizing controllers are applied to vertical Bridgman systems in stabilizing (crystal below the melt) and destabilizing (melt below the crystal) configurations. The spatially-averaged, axisymmetric kinetic energy is the controlled output. The flows are controlled via rotation of the crucible containing the molten material. Simulation results show that feedback controllers using crucible rotation effectively attenuate flow oscillations in a stabilizing configuration with time-varying disturbance. Crucible rotation is not an optimal choice for suppressing inherent flow oscillations in the destabilizing configuration.

Authigenic Carbonate Fans from Lower Jurassic Marine Shales (Alberta, Canada)

NASA Astrophysics Data System (ADS)

Martindale, R. C.; Them, T. R., II; Gill, B. C.; Knoll, A. H.

2016-12-01

Authigenic aragonite seafloor fans are a common occurrence in Archean and Paleoproterozoic carbonates, as well as Neoproterozoic cap carbonates. Similar carbonate fans are rare in Phanerozoic strata, with the exception of two mass extinction events; during the Permo-Triassic and Triassic-Jurassic boundaries, carbonate fans formed at the sediment-water interface and within the sediment, respectively. These crystal fans have been linked to carbon cycle perturbations at the end of the Permian and Triassic periods driven by rapid flood volcanism. The Early Jurassic Toarcian Ocean Anoxic Event (T-OAE) is also correlated with the emplacement of a large igneous province, but biological consequences were more modest. We have identified broadly comparable fibrous calcite layers (2-10 cm thick) in Pliensbachian-Toarcian cores from Alberta, Canada. This work focuses on the geochemical and petrographic description of these fans and surrounding sediment in the context of the T-OAE. At the macroscale, carbonates exhibit a fan-like (occasionally cone-in-cone) structure and displace the sediment around them as they grew. At the microscale, the carbonate crystals (pseudomorphs of aragonite) often initiate on condensed horizons or shells. Although they grow in multiple directions (growth within the sediment), the predominant crystal growth direction is towards the sediment-water interface. Resedimentation of broken fans is evidence that crystal growth was penecontemporaneous with sedimentation. The carbon isotope composition of the fans (transects up bladed crystals) and elemental abundances within the layers support shallow subsurface, microbially mediated growth. The resemblance of these Early Jurassic fibrous calcite layers to those found at the end-Triassic and their paucity in the Phanerozoic record suggest that analogous processes occurred at both events. Nevertheless, the Pliensbachian-Toarcian carbonate fans occur at multiple horizons and while some are within the T-OAE, others are significantly above and below the event. The formation of these authigenic layers cannot be driven exclusively by the geochemical and paleoenvironmental changes during the T-OAE. Therefore, a new model of formation for the Early Jurassic carbonate fans is required.

Onset of a Propagating Self-Sustained Spin Reversal Front in a Magnetic System

NASA Astrophysics Data System (ADS)

Kent, Andrew D.

2014-03-01

The energy released in a magnetic material by reversing spins as they relax toward equilibrium can lead to a dynamical magnetic instability in which all the spins in a sample rapidly reverse in a run-away process known as magnetic deflagration. A well-defined front separating reversed and un-reversed spins develops that propagates at a constant speed. This process is akin to a chemical reaction in which a flammable substance ignites and the resulting exothermic reaction leads via thermal conduction to increases in the temperature of an adjacent unburned substance that ignites it. In a magnetic system the reaction is the reversal of spins that releases Zeeman energy and the magnetic anisotropy barrier is the reaction's activation energy. An interesting aspect of magnetic systems is that these key energies-the activation energy and the energy released-can be independently controlled by applied magnetic fields enabling systematic studies of these magnetic instabilities. We have studied the instability that leads to the ignition of magnetic deflagration in a thermally driven Mn12-Ac molecular magnet single crystal. Each Mn12-ac molecule is a uniaxial nanomagnet with spin 10 and energy barrier of 60 K. We use a longitudinal field (a field parallel to the easy axis) to set the energy released and a transverse field to control the activation energy. A heat pulse is applied to one end of the crystal to initiate the process. We study the crossover between slow magnetic relaxation and rapid, self-sustained magnetic deflagration as a function of these fields at low temperature (0.5 K). An array of Hall sensors adjacent to a single crystal is used to detect and measure the speed of the spin-reversal front. I will describe a simple model we developed based on a reaction-diffusion process that describes our experimental findings. I will also discuss prospects for observing spin-fronts driven by magnetic dipole interactions between molecules that can be sonic, i.e. travel near the speed of sound (~ 1000 m/s). In collaboration with P. Subedi, S. Velez, F. Macià, S. Li, M. P. Sarachik, J. Tejada, S. Mukherjee and G. Christou. Supported by NSF-DMR-1006575.

A swing driven by liquid crystals

NASA Astrophysics Data System (ADS)

Cheng, Cheng

Angular momentum in liquid crystals exists as flow, director reorientation, etc. However, it is hard to observe and measure angular momentum in liquid crystals by a direct mechanical approach. Torsion pendulum is a general tool to measure angular momentum by torque balance. Our torsion pendulum can harvest the angular momentum in liquid crystals to make it observable. The oscillation of the pendulum keeps increasing by constructively adding a small angular momentum of liquid crystals each period at the resonant frequency of the pendulum. Its similar to a swing driven by a force at its resonant frequency. For the torsion pendulum, a cage made of two aluminum discs, in which a liquid crystal cell is placed, is suspended between two thin tungsten wires. A gold mirror, which is a part of the optical lever system, is attached on one tungsten wire. As first demonstration, we fabricate a circular hybrid liquid crystal cell, which can induce concentric backflows to generate angular momentum. The alignment on the planar substrate is concentric and tangential. Due to the coupling between director rotation and flow, the induced backflow goes around the cell when we add electrical pulses between top and bottom substrates. The oscillation is observed by a position sensitive detector and analyzed on the basis of Eriksen-Leslie theory. With vacuum condition and synchronous driving system, the oscillation signal is improved. We demonstrate that this torsion pendulum can sensitively detect the angular momentum in liquid crystals.

Plans and Preliminary Results of Fundamental Studies of Ice Crystal Icing Physics in the NASA Propulsion Systems Laboratory

NASA Technical Reports Server (NTRS)

Struk, Peter; Tsao, Jen-Ching; Bartkus, Tadas

2017-01-01

This paper describes plans and preliminary results for using the NASA Propulsion Systems Lab (PSL) to experimentally study the fundamental physics of ice-crystal ice accretion. NASA is evaluating whether this facility, in addition to full-engine and motor-driven-rig tests, can be used for more fundamental ice-accretion studies that simulate the different mixed-phase icing conditions along the core flow passage of a turbo-fan engine compressor. The data from such fundamental accretion tests will be used to help develop and validate models of the accretion process. This paper presents data from some preliminary testing performed in May 2015 which examined how a mixed-phase cloud could be generated at PSL using evaporative cooling in a warmer-than-freezing environment.

Plans and Preliminary Results of Fundamental Studies of Ice Crystal Icing Physics in the NASA Propulsion Systems Laboratory

NASA Technical Reports Server (NTRS)

Struk, Peter; Tsao, Jen-Ching; Bartkus, Tadas

2016-01-01

This presentation accompanies the paper titled Plans and Preliminary Results of Fundamental Studies of Ice Crystal Icing Physics in the NASA Propulsion Systems Laboratory. NASA is evaluating whether PSL, in addition to full-engine and motor-driven-rig tests, can be used for more fundamental ice-accretion studies that simulate the different mixed-phase icing conditions along the core flow passage of a turbo-fan engine compressor. The data from such fundamental accretion tests will be used to help develop and validate models of the accretion process. This presentation (and accompanying paper) presents data from some preliminary testing performed in May 2015 which examined how a mixed-phase cloud could be generated at PSL using evaporative cooling in a warmer-than-freezing environment.

Monitoring of Batch Industrial Crystallization with Growth, Nucleation, and Agglomeration. Part 2: Structure Design for State Estimation with Secondary Measurements

PubMed Central

2017-01-01

This work investigates the design of alternative monitoring tools based on state estimators for industrial crystallization systems with nucleation, growth, and agglomeration kinetics. The estimation problem is regarded as a structure design problem where the estimation model and the set of innovated states have to be chosen; the estimator is driven by the available measurements of secondary variables. On the basis of Robust Exponential estimability arguments, it is found that the concentration is distinguishable with temperature and solid fraction measurements while the crystal size distribution (CSD) is not. Accordingly, a state estimator structure is selected such that (i) the concentration (and other distinguishable states) are innovated by means of the secondary measurements processed with the geometric estimator (GE), and (ii) the CSD is estimated by means of a rigorous model in open loop mode. The proposed estimator has been tested through simulations showing good performance in the case of mismatch in the initial conditions, parametric plant-model mismatch, and noisy measurements. PMID:28890604

Monitoring of Batch Industrial Crystallization with Growth, Nucleation, and Agglomeration. Part 2: Structure Design for State Estimation with Secondary Measurements.

PubMed

Porru, Marcella; Özkan, Leyla

2017-08-30

This work investigates the design of alternative monitoring tools based on state estimators for industrial crystallization systems with nucleation, growth, and agglomeration kinetics. The estimation problem is regarded as a structure design problem where the estimation model and the set of innovated states have to be chosen; the estimator is driven by the available measurements of secondary variables. On the basis of Robust Exponential estimability arguments, it is found that the concentration is distinguishable with temperature and solid fraction measurements while the crystal size distribution (CSD) is not. Accordingly, a state estimator structure is selected such that (i) the concentration (and other distinguishable states) are innovated by means of the secondary measurements processed with the geometric estimator (GE), and (ii) the CSD is estimated by means of a rigorous model in open loop mode. The proposed estimator has been tested through simulations showing good performance in the case of mismatch in the initial conditions, parametric plant-model mismatch, and noisy measurements.

Effect of Ni-Co Ternary Molten Salt Catalysts on Coal Catalytic Pyrolysis Process

NASA Astrophysics Data System (ADS)

Cui, Xin; Qi, Cong; Li, Liang; Li, Yimin; Li, Song

2017-08-01

In order to facilitate efficient and clean utilization of coal, a series of Ni-Co ternary molten salt crystals are explored and the catalytic pyrolysis mechanism of Datong coal is investigated. The reaction mechanisms of coal are achieved by thermal gravimetric analyzer (TGA), and a reactive kinetic model is constructed. The microcosmic structure and macerals are observed by scanning electron microscope (SEM). The catalytic effects of ternary molten salt crystals at different stages of pyrolysis are analyzed. The experimental results show that Ni-Co ternary molten salt catalysts have the capability to bring down activation energy required by pyrolytic reactions at its initial phase. Also, the catalysts exert a preferable catalytic action on macromolecular structure decomposition and free radical polycondensation reactions. Furthermore, the high-temperature condensation polymerization is driven to decompose further with a faster reaction rate by the additions of Ni-Co ternary molten salt crystal catalysts. According to pyrolysis kinetic research, the addition of catalysts can effectively decrease the activation energy needed in each phase of pyrolysis reaction.

Control of Meridional Flow in Circular Cylinders by a Travelling Axial Magnetic Field

NASA Technical Reports Server (NTRS)

Mazuruk, K.; Ramachandran, N.; Volz, M. P.

1999-01-01

Convective flow in a Bridgman or float zone configuration significantly affects the interface shape and segregation phenomena. While the primary causative factor for this flow is buoyancy induced convection in an enclosed Bridgman melt, the presence of a free surface gives rise to surface tension driven flows in the floating zone processing of melts. It is of interest to curtail these flows in order to realize near quiescent growth conditions that have shown to result in crystals with good longitudinal and radial homogeneity and thereby of better overall quality. While buoyancy effects can be reduced by careful processing in a low gravity (space) environment, the reduction of Marangoni flows due to surface tension variations is not that straight forward. Attempts have been made with some limited success with the use of external fields to affect the melt thermo-fluid behavior. The use of a static magnetic field that reduces convective contamination through the effects of a non-intrusively induced, dissipative Lorentz force in an electrically conducting melt is one such approach. Experiments have shown that axial fields of the order of 5 Tesla can significantly eliminate convection and yield close to diffusion limited crystal growth conditions. The generation and use of such high magnetic fields require substantial hardware and incur significant costs for its operation. Lately, the use of rotating magnetic fields has been tested in semiconductor crystal growth. The method is fairly well known and commonly used in metal processing but its adaptation to crystal growth of semiconductors is fairly recent. The elegance of the technique rests in its low power requirement (typically 10-20 milli-Tesla at 50-400 Hz) and its efficacy in curtailing deleterious temperature fluctuations in the melt. A rotating magnetic field imposes a rotational force and thereby induces a circulation within the melt that tends to dominate other sporadic convective effects. Thus a known low level of convective flow is introduced into the system. A new novel variation of the Lorentz force mechanism is proposed and investigated in this study. Since one of the desired process conditions in melt crystal growth is the minimization of convective effects, this investigation examines the use of an external field of magnetic origin to counteract existing convective flow within the melt. This is accomplished by utilizing a running or traveling axial magnetic wave in the system. The concept is similar to the use of vibrational means in order to induce streaming flows that oppose buoyant or surface tension driven convection in the system. The rotation direction as well as the magnitude (strength) of this circulation can be easily controlled by external inputs thus affording a direct means of controlling the developing shape of the crystallizing front (interface). The theoretical model of this technique is fully developed and presented in this paper. Results from the solution of the developed governing equations and boundary conditions are also presented. An experimental demonstration of the concept is presented through the suppression of natural convective flow in a mercury column. Implications to crystal growth systems will be fully explored in the final manuscript.

Biological control of aragonite formation in stony corals

NASA Astrophysics Data System (ADS)

Von Euw, Stanislas; Zhang, Qihong; Manichev, Viacheslav; Murali, Nagarajan; Gross, Juliane; Feldman, Leonard C.; Gustafsson, Torgny; Flach, Carol; Mendelsohn, Richard; Falkowski, Paul G.

2017-06-01

Little is known about how stony corals build their calcareous skeletons. There are two prevailing hypotheses: that it is a physicochemically dominated process and that it is a biologically mediated one. Using a combination of ultrahigh-resolution three-dimensional imaging and two-dimensional solid-state nuclear magnetic resonance (NMR) spectroscopy, we show that mineral deposition is biologically driven. Randomly arranged, amorphous nanoparticles are initially deposited in microenvironments enriched in organic material; they then aggregate and form ordered aragonitic structures through crystal growth by particle attachment. Our NMR results are consistent with heterogeneous nucleation of the solid mineral phase driven by coral acid-rich proteins. Such a mechanism suggests that stony corals may be able to sustain calcification even under lower pH conditions that do not favor the inorganic precipitation of aragonite.

Universal fragment descriptors for predicting properties of inorganic crystals

NASA Astrophysics Data System (ADS)

Isayev, Olexandr; Oses, Corey; Toher, Cormac; Gossett, Eric; Curtarolo, Stefano; Tropsha, Alexander

2017-06-01

Although historically materials discovery has been driven by a laborious trial-and-error process, knowledge-driven materials design can now be enabled by the rational combination of Machine Learning methods and materials databases. Here, data from the AFLOW repository for ab initio calculations is combined with Quantitative Materials Structure-Property Relationship models to predict important properties: metal/insulator classification, band gap energy, bulk/shear moduli, Debye temperature and heat capacities. The prediction's accuracy compares well with the quality of the training data for virtually any stoichiometric inorganic crystalline material, reciprocating the available thermomechanical experimental data. The universality of the approach is attributed to the construction of the descriptors: Property-Labelled Materials Fragments. The representations require only minimal structural input allowing straightforward implementations of simple heuristic design rules.

Universal fragment descriptors for predicting properties of inorganic crystals.

PubMed

Isayev, Olexandr; Oses, Corey; Toher, Cormac; Gossett, Eric; Curtarolo, Stefano; Tropsha, Alexander

2017-06-05

Although historically materials discovery has been driven by a laborious trial-and-error process, knowledge-driven materials design can now be enabled by the rational combination of Machine Learning methods and materials databases. Here, data from the AFLOW repository for ab initio calculations is combined with Quantitative Materials Structure-Property Relationship models to predict important properties: metal/insulator classification, band gap energy, bulk/shear moduli, Debye temperature and heat capacities. The prediction's accuracy compares well with the quality of the training data for virtually any stoichiometric inorganic crystalline material, reciprocating the available thermomechanical experimental data. The universality of the approach is attributed to the construction of the descriptors: Property-Labelled Materials Fragments. The representations require only minimal structural input allowing straightforward implementations of simple heuristic design rules.

The effect of the stretching of PLA extruded films on their crystallinity and gas barrier properties

NASA Astrophysics Data System (ADS)

Guinault, A.; Menary, G. H.; Courgneau, C.; Griffith, D.; Ducruet, V.; Miri, V.; Sollogoub, C.

2011-05-01

Driven by environmental concerns, new polymers based on renewable resources are arriving on the market to replace conventional polymers, obtained from petroleum, for different applications like food packaging. One of the most prominent polymers among these materials is poly(lactic acid) (PLA), a biodegradable, thermoplastic, aliphatic polyester derived from renewable resources, such as corn starch (in the USA) or sugarcanes (in the rest of the world). However this polymer presents different disadvantages and especially low gas barrier properties [1]. Thermal crystallization can be used to increase its gas barrier properties but long times are necessary [2] and are not compatible with an industrial process. Another way to increase the gas barrier properties consists in stretching the film in order to increase its crystallinity and so its diffusion coefficient. We have prepared stretched PLA films with different stretch ratio and we have studied the effect of the stretching parameters on the gas barrier properties of PLA films. Finally we compared this process with the isothermal crystallization process by taking into account the crystallinity degree and the crystalline morphology.

Industrial application of ultrasound based in-line rheometry: Visualization of steady shear pipe flow of chocolate suspension in pre-crystallization process

NASA Astrophysics Data System (ADS)

Ouriev, Boris; Windhab, Erich; Braun, Peter; Zeng, Yuantong; Birkhofer, Beat

2003-12-01

In the present work an in-line ultrasonic method for investigation of the rheological flow behavior of concentrated suspensions was created. It is based on a nondestructive rheological measuring technique for pilot plant and industrial scale applications. Elsewhere the author discusses a tremendous need for in-line rheological characterization of highly concentrated suspensions exposed to pressure driven shear flow conditions. Most existing on-line methods are based on destructive macro actuators, which are not suitable for materials with sensitive to applied deformation structure. Since the process of our basic interest influences the structure of suspension it would be difficult to separate the effects of rheometric measurement and weakly pronounced structural changes arising from a fine adjustment of the process parameters. The magnitude of these effects is usually associated with the complex flow dynamics of structured liquids and is sensitive to density or temperature fluctuations around the moving rheometric actuator. Interpretation of the results of such measurements can be hindered by process parameter influences on liquid product structure. Therefore, the author introduces an in-line noninvasive rheometric method, which is implemented in a pre-crystallization process of chocolate suspension. Use of ultrasound velocity profile pressure difference (UVP-PD) technique enabled process monitoring of the chocolate pre-crystallization process. Influence of seeded crystals on Rheology of chocolate suspension was recorded and monitored on line. It was shown that even slight velocity pulsations in chocolate mainstream can strongly influence rheological properties besides influencing flow velocity profiles. Based on calculations of power law fit in raw velocity profiles and calculation of wall shear stress from pressure difference measurement, a viscosity function was calculated and monitored on line. On-line results were found to be in a good agreement with off-line data. The results of the industrial test of the UVP-PD system brought practical knowledge and stipulated further development of a Smart UVP-PD noninventive on-line rheometer.

Combinatorial and High Throughput Discovery of High Temperature Piezoelectric Ceramics

DTIC Science & Technology

2011-10-10

the known candidate piezoelectric ferroelectric perovskites. Unlike most computational studies on crystal chemistry, where the starting point is some...studies on crystal chemistry, where the starting point is some form of electronic structure calculation, we use a data driven approach to initiate our...experimental measurements reported in the literature. Given that our models are based solely on crystal and electronic structure data and did not

Method of fabrication of display pixels driven by silicon thin film transistors

DOEpatents

Carey, Paul G.; Smith, Patrick M.

1999-01-01

Display pixels driven by silicon thin film transistors are fabricated on plastic substrates for use in active matrix displays, such as flat panel displays. The process for forming the pixels involves a prior method for forming individual silicon thin film transistors on low-temperature plastic substrates. Low-temperature substrates are generally considered as being incapable of withstanding sustained processing temperatures greater than about 200.degree. C. The pixel formation process results in a complete pixel and active matrix pixel array. A pixel (or picture element) in an active matrix display consists of a silicon thin film transistor (TFT) and a large electrode, which may control a liquid crystal light valve, an emissive material (such as a light emitting diode or LED), or some other light emitting or attenuating material. The pixels can be connected in arrays wherein rows of pixels contain common gate electrodes and columns of pixels contain common drain electrodes. The source electrode of each pixel TFT is connected to its pixel electrode, and is electrically isolated from every other circuit element in the pixel array.

Electrically driven quantum light emission in electromechanically tuneable photonic crystal cavities

NASA Astrophysics Data System (ADS)

Petruzzella, M.; Pagliano, F. M.; Zobenica, Ž.; Birindelli, S.; Cotrufo, M.; van Otten, F. W. M.; van der Heijden, R. W.; Fiore, A.

2017-12-01

A single quantum dot deterministically coupled to a photonic crystal environment constitutes an indispensable elementary unit to both generate and manipulate single-photons in next-generation quantum photonic circuits. To date, the scaling of the number of these quantum nodes on a fully integrated chip has been prevented by the use of optical pumping strategies that require a bulky off-chip laser along with the lack of methods to control the energies of nano-cavities and emitters. Here, we concurrently overcome these limitations by demonstrating electrical injection of single excitonic lines within a nano-electro-mechanically tuneable photonic crystal cavity. When an electrically driven dot line is brought into resonance with a photonic crystal mode, its emission rate is enhanced. Anti-bunching experiments reveal the quantum nature of these on-demand sources emitting in the telecom range. These results represent an important step forward in the realization of integrated quantum optics experiments featuring multiple electrically triggered Purcell-enhanced single-photon sources embedded in a reconfigurable semiconductor architecture.

Photochemically and Thermally Driven Full-Color Reflection in a Self-Organized Helical Superstructure Enabled by a Halogen-Bonded Chiral Molecular Switch.

PubMed

Wang, Hao; Bisoyi, Hari Krishna; Wang, Ling; Urbas, Augustine M; Bunning, Timothy J; Li, Quan

2018-02-05

Supramolecular approaches toward the fabrication of functional materials and systems have been an enabling endeavor. Recently, halogen bonding has been harnessed as a promising supramolecular tool. Herein we report the synthesis and characterization of a novel halogen-bonded light-driven axially chiral molecular switch. The photoactive halogen-bonded chiral switch is able to induce a self-organized, tunable helical superstructure, that is, cholesteric liquid crystal (CLC), when doped into an achiral liquid crystal (LC) host. The halogen-bonded switch as a chiral dopant has a high helical twisting power (HTP) and shows a large change of its HTP upon photoisomerization. This light-driven dynamic modulation enables reversible selective reflection color tuning across the entire visible spectrum. The chiral switch also displays a temperature-dependent HTP change that enables thermally driven red, green, and blue (RGB) reflection colors in the self-organized helical superstructure. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Development of large-aperture electro-optical switch for high power laser at CAEP

NASA Astrophysics Data System (ADS)

Zhang, Xiongjun; Wu, Dengsheng; Zhang, Jun; Lin, Donghui; Zheng, Jiangang; Zheng, Kuixing

2015-02-01

Large-aperture electro-optical switch based on plasma Pockels cell (PPC) is one of important components for inertial confinement fusion (ICF) laser facility. We have demonstrated a single-pulse driven 4×1 PPC with 400mm×400mm aperture for SGIII laser facility. And four 2×1 PPCs modules with 350mm×350mm aperture have been operated in SGII update laser facility. It is different to the PPC of NIF and LMJ for its simple operation to perform Pockels effect. With optimized operation parameters, the PPCs meet the SGII-U laser requirement of four-pass amplification control. Only driven by one high voltage pulser, the simplified PPC system would be provided with less associated diagnostics, and higher reliability. To farther reduce the insert loss of the PPC, research on the large-aperture PPC based on DKDP crystal driven by one pulse is developed. And several single-pulse driven PPCs with 80mm×80mm DKDP crystal have been manufactured and operated in laser facilities.

Multifunctional cube-like system for biomedical applications featuring 3D printing by dual deposition, scanner, and UV engraving

NASA Astrophysics Data System (ADS)

Guzmán-González, J. V.; Saldaña-Martínez, M. I.; Barajas-González, O. G.; Guzmán-Ramos, V.; García-Garza, A. K.; Franco-Herrada, M. G.; Selvas Aguilar, R. J.; García-Ramírez, M. A.

2017-02-01

In this paper, a cubic-like structure is proposed to scan and print tools used as medical equipment at low cost for developing countries. The structure features a 3-axis frame plane that uses high-precision step motors. An actuator drives the "x and y" axis through serrated bands with 2 mm pitch. Those give an accuracy of 2.5 microns tops. The z-axe is driven by and inductive sensor that allows us to keep the focus to the printing bed as well as to search for non-smooth areas to correct it and deliver an homogeneous impression. The 3D scanner as well as the entire gears are placed underneath in order to save space. As extrude tip, we are using a 445 nm UV laser with 2000 mW of power. The laser system is able to perform several functions such as crystallizing, engraving or cut though a set of mirror arrays. Crystallization occurs when the laser is guided towards the base. This process allows us to direct it towards the polymer injector and as a result, it crystalizes on the spot. Another feature that this system is the engraving process that occurs while the base moves. The movement allows the beam to pass freely towards the base and perform the engraving process.

Transformation and crystallization energetics of synthetic and biogenic amorphous calcium carbonate.

PubMed

Radha, A V; Forbes, Tori Z; Killian, Christopher E; Gilbert, P U P A; Navrotsky, Alexandra

2010-09-21

Amorphous calcium carbonate (ACC) is a metastable phase often observed during low temperature inorganic synthesis and biomineralization. ACC transforms with aging or heating into a less hydrated form, and with time crystallizes to calcite or aragonite. The energetics of transformation and crystallization of synthetic and biogenic (extracted from California purple sea urchin larval spicules, Strongylocentrotus purpuratus) ACC were studied using isothermal acid solution calorimetry and differential scanning calorimetry. Transformation and crystallization of ACC can follow an energetically downhill sequence: more metastable hydrated ACC → less metastable hydrated ACC ⇒ anhydrous ACC ∼ biogenic anhydrous ACC ⇒ vaterite → aragonite → calcite. In a given reaction sequence, not all these phases need to occur. The transformations involve a series of ordering, dehydration, and crystallization processes, each lowering the enthalpy (and free energy) of the system, with crystallization of the dehydrated amorphous material lowering the enthalpy the most. ACC is much more metastable with respect to calcite than the crystalline polymorphs vaterite or aragonite. The anhydrous ACC is less metastable than the hydrated, implying that the structural reorganization during dehydration is exothermic and irreversible. Dehydrated synthetic and anhydrous biogenic ACC are similar in enthalpy. The transformation sequence observed in biomineralization could be mainly energetically driven; the first phase deposited is hydrated ACC, which then converts to anhydrous ACC, and finally crystallizes to calcite. The initial formation of ACC may be a first step in the precipitation of calcite under a wide variety of conditions, including geological CO(2) sequestration.

1. Innovative Relaxor-Based PiezoCrystals: Phase Diagrams, Crystal Growth, Domain Structures and Electric Properties. 2. Piezo- and Ferroelectric Materials Based on Morphotropic Phase Boundary Synthesis, Characterization and Structure - Property Relations

DTIC Science & Technology

2006-03-31

crystals by the flux method and modified Bridgman technique, the growth results were hardly reproducible, and the quality of the crystals was still a serious... growth . 2.2.1.2.2) Solution Bridgman Growth A modified Bridgman method using excess of PbO as solvent was developed for the growth of PZNT91/9 crystals ...of growth , the grown crystal can be rotated via the A120 3 rod which was driven by a motor at a speed of 0 to 30 rmp. Figure 15(b) gives the

Natural convection in melt crystal growth - The influence of flow pattern on solute segregation

NASA Technical Reports Server (NTRS)

Brown, R. A.; Yamaguchi, Y.; Chang, C. J.

1982-01-01

The results of two lines of research aimed at calculating the structure of the flows driven by buoyancy in small-scale crystal growth systems and at understanding the coupling between these flows, the shape of the solidification interface, and dopant segregation in the crystal are reviewed. First, finite-element methods are combined with computer-aided methods for detecting multiple steady solutions to analyze the structure of the buoyancy-driven axisymmetric flows in a vertical cylinder heated from below. This system exhibits onset of convection, multiple steady flows, and loss of the primary stable flow beyond a critical value of the Rayleigh number. Second, results are presented for calculations of convection, melt/solid interface shape, and dopant segregation within a vertical ampoule with thermal boundary conditions that represent a prototype of the vertical Bridgman growth system.

Direct observation of two-step crystallization in nanoparticle superlattice formation

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

Park, Jungwon; Zheng, Haimei; Lee, Won Chul

2011-10-06

Direct imaging of nanoparticle solutions by liquid phase transmission electron microscopy has enabled unique in-situ studies of nanoparticle motion and growth. In the present work, we report on real-time formation of two-dimensional nanoparticle arrays in the very low diffusive limit, where nanoparticles are mainly driven by capillary forces and solvent fluctuations. We find that superlattice formation appears to be segregated into multiple regimes. Initially, the solvent front drags the nanoparticles, condensing them into an amorphous agglomerate. Subsequently, the nanoparticle crystallization into an array is driven by local fluctuations. Following the crystallization event, superlattice growth can also occur via the additionmore » of individual nanoparticles drawn from outlying regions by different solvent fronts. The dragging mechanism is consistent with simulations based on a coarse-grained lattice gas model at the same limit.« less

Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport in Low Gravity

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Ramachandran, N.

2013-01-01

Crystals of ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, will be grown by physical vapor transport in the Material Science Research Rack (MSRR) on International Space Station (ISS). The objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the crystals grown by vapor transport as results of buoyance-driven convection and growth interface fluctuations caused by irregular fluid-flows on Earth. The investigation consists of extensive ground-based experimental and theoretical research efforts and concurrent flight experimentation. The objectives of the ground-based studies are (1) obtain the experimental data and conduct the analyses required to define the optimum growth parameters for the flight experiments, (2) perfect various characterization techniques to establish the standard procedure for material characterization, (3) quantitatively establish the characteristics of the crystals grown on Earth as a basis for subsequent comparative evaluations of the crystals grown in a low-gravity environment and (4) develop theoretical and analytical methods required for such evaluations. ZnSe and related ternary compounds have been grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals have been characterized extensively by various techniques to correlate the grown crystal properties with the growth conditions.

Can Supersaturation Affect Protein Crystal Quality?

NASA Technical Reports Server (NTRS)

Gorti, Sridhar

2013-01-01

In quiescent environments (microgravity, capillary tubes, gels) formation of a depletion zone is to be expected, due either to limited sedimentation, density driven convection or a combination of both. The formation of a depletion zone can: Modify solution supersaturation near crystal; Give rise to impurity partitioning. It is conjectured that both supersaturation and impurity partitioning affect protein crystal quality and size. Further detailed investigations on various proteins are needed to assess above hypothesis.

Resolved shear stress intensity coefficient and fatigue crack growth in large crystals

NASA Technical Reports Server (NTRS)

Chen, QI; Liu, Hao-Wen

1988-01-01

Fatigue crack growth in large grain Al alloy was studied. Fatigue crack growth is caused primarily by shear decohesion due to dislocation motion in the crack tip region. The crack paths in the large crystals are very irregular and zigzag. The crack planes are often inclined to the loading axis both in the inplane direction and the thickness direction. The stress intensity factors of such inclined cracks are approximated from the two dimensional finite element calculations. The plastic deformation in a large crystal is highly anisotropic, and dislocation motion in such crystals are driven by the resolved shear stress. The resolved shear stress intensity coefficient in a crack solid, RSSIC, is defined, and the coefficients for the slip systems at a crack tip are evaluated from the calculated stress intensity factors. The orientations of the crack planes are closely related to the slip planes with the high RSSIC values. If a single slip system has a much higher RSSIC than all the others, the crack will follow the slip plane, and the slip plane becomes the crack plane. If two or more slip systems have a high RSSIC, the crack plane is the result of the decohesion processes on these active slip planes.

Investigations into the low temperature behavior of jet fuels: Visualization, modeling, and viscosity studies

NASA Astrophysics Data System (ADS)

Atkins, Daniel L.

Aircraft operation in arctic regions or at high altitudes exposes jet fuel to temperatures below freeze point temperature specifications. Fuel constituents may solidify and remain within tanks or block fuel system components. Military and scientific requirements have been met with costly, low freeze point specialty jet fuels. Commercial airline interest in polar routes and the use of high altitude unmanned aerial vehicles (UAVs) has spurred interest in the effects of low temperatures and low-temperature additives on jet fuel. The solidification of jet fuel due to freezing is not well understood and limited visualization of fuel freezing existed prior to the research presented in this dissertation. Consequently, computational fluid dynamics (CFD) modeling that simulates jet fuel freezing and model validation were incomplete prior to the present work. The ability to simulate jet fuel freezing is a necessary tool for fuel system designers. An additional impediment to the understanding and simulation of jet fuel freezing has been the absence of published low-temperature thermo-physical properties, including viscosity, which the present work addresses. The dissertation is subdivided into three major segments covering visualization, modeling and validation, and viscosity studies. In the first segment samples of jet fuel, JPTS, kerosene, Jet A and Jet A containing additives, were cooled below their freeze point temperatures in a rectangular, optical cell. Images and temperature data recorded during the solidification process provided information on crystal habit, crystallization behavior, and the influence of the buoyancy-driven flow on freezing. N-alkane composition of the samples was determined. The Jet A sample contained the least n-alkane mass. The cooling of JPTS resulted in the least wax formation while the cooling of kerosene yielded the greatest wax formation. The JPTS and kerosene samples exhibited similar crystallization behavior and crystal habits during cooling. Low-temperature additives modified the crystal habit of the Jet A fuel. Crystal shapes and sizes were recorded for use in future computational modeling. In the second segment, a computational fluid dynamics model was developed that simulates the solidification of jet fuel due to freezing in a buoyancy-driven flow. Flow resistance caused by porous crystal structures that exist in liquid-solid regions is simulated through the use of a momentum resistance source term. (Abstract shortened by UMI.)

Morphological analysis of GeTe in inline phase change switches

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

King, Matthew R., E-mail: matthew.king2@ngc.com; Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695; El-Hinnawy, Nabil

2015-09-07

Crystallization and amorphization phenomena in indirectly heated phase change material-based devices were investigated. Scanning transmission electron microscopy was utilized to explore GeTe phase transition processes in the context of the unique inline phase change switch (IPCS) architecture. A monolithically integrated thin film heating element successfully converted GeTe to ON and OFF states. Device cycling prompted the formation of an active area which sustains the majority of structural changes during pulsing. A transition region on both sides of the active area consisting of polycrystalline GeTe and small nuclei (<15 nm) in an amorphous matrix was also observed. The switching mechanism, determined bymore » variations in pulsing parameters, was shown to be predominantly growth-driven. A preliminary model for crystallization and amorphization in IPCS devices is presented.« less

Biological control of aragonite formation in stony corals.

PubMed

Von Euw, Stanislas; Zhang, Qihong; Manichev, Viacheslav; Murali, Nagarajan; Gross, Juliane; Feldman, Leonard C; Gustafsson, Torgny; Flach, Carol; Mendelsohn, Richard; Falkowski, Paul G

2017-06-02

Little is known about how stony corals build their calcareous skeletons. There are two prevailing hypotheses: that it is a physicochemically dominated process and that it is a biologically mediated one. Using a combination of ultrahigh-resolution three - dimensional imaging and two-dimensional solid-state nuclear magnetic resonance (NMR) spectroscopy, we show that mineral deposition is biologically driven. Randomly arranged, amorphous nanoparticles are initially deposited in microenvironments enriched in organic material; they then aggregate and form ordered aragonitic structures through crystal growth by particle attachment. Our NMR results are consistent with heterogeneous nucleation of the solid mineral phase driven by coral acid-rich proteins. Such a mechanism suggests that stony corals may be able to sustain calcification even under lower pH conditions that do not favor the inorganic precipitation of aragonite. Copyright © 2017, American Association for the Advancement of Science.

Growth of Si spherical crystals and the surface oxidation (M-9)

NASA Technical Reports Server (NTRS)

Nishinaga, Tatau

1993-01-01

Nearly 90 percent of semiconductor devices are produced with Si single crystals as the starting materials. For instance, the integrated circuits (IC), which are used in almost all electronic equipments such as TV, tape recorders, audio amplifiers, etc., are made after various processings of Si single crystal wafers. In these wafers, the same controlled amounts of impurities are added and the uniformities in their distributions are extremely important. Growth under microgravity makes it possible to eliminate the buoyancy-driven convection in the melt, which is one of the main origins of convections which results in non-uniformity of the impurity. Another source of convection is known as Marangoni convection which is driven on the free surface when a temperature gradient occurs. One of the merits of microgravity experimentation is that the detailed study of this convection becomes possible. Another important advantage of microgravity is that growth of crystals without a crucible is possible. This makes it possible to study melt growth without the strain which is usually introduced on the ground. Nevertheless, we should repeat and analyze many growth experiments in space to get reliable results. However, since in the FMPT, the time for the experiment is limited, we plan to carry out two kinds of very simple and basic experiments as the first step for the semiconductor growth experiment. In the first experiment, we use single crystal Si sphere as the starting material and as shown, this sphere is heated in the furnace at a slightly higher temperature than the melting point. After the melting front moves nearly half way to its center, the temperature is decreased to stop the melting and to start the growth from the seed for which we use the unmelted solid party of the sphere. The sphere is centered by quartz protuberances inside of the quartz crucible. There exists the possibility of temperature fluctuations being introduced when the molten sphere occasionally touches the protuberances. The total time needed for the melting and the growth processes is estimated to be 30 minutes. Infrared emission from the sphere is monitored in order to prevent the accidental loss of the central solid core. The schematical illustration of the second experient is shown. A single crystal, Si rod is used as the starting material. In the first stage, the rod is melted from one end to obtain a liquid sphere. In the second stage, the single crystal is grown by decreasing the temperature from the unmelted part of the rod which is used as the seed. The second experient somewhat resembles the Czochralski method used on the ground; however, in the space experiment, no crucible is employed and the temperature uniformity is much superior. In both experiments, phosphorous is doped to allow observation of the change in the shape of the liquid solid interface during crystal growth and the impurity striations, if any.

Assessing Magmatic Processes and Hazards at two Basaltic Monogenetic Centers: Volcan Jorullo, Mexico, and Blue Lake Maar, Oregon

NASA Astrophysics Data System (ADS)

Johnson, E. R.; Cashman, K.; Wallace, P.; Delgado Granados, H.

2007-05-01

Although monogenetic basaltic volcanoes exhibit a wide variety of eruption styles, the origin of this diversity is poorly understood and often ignored when assessing volcanic hazards. To better understand magmatic processes and hazards associated with these eruptions, we have studied two monogenetic centers with differing behavior: Volcan Jorullo, a cinder cone in Mexico, and Blue Lake, a maar in the Oregon High Cascades. Although compositionally similar (medium-K basalt to basaltic andesite), their eruptive styles and products are quite different. Jorullo had violent strombolian eruptions that deposited alternating beds of ash and tephra, as well as lava flows. In contrast, Blue Lake exhibited initial phreatomagmatism that formed a 100m deep crater and produced surge deposits. This activity was followed by magmatic eruptions that produced deposits of tephra and bombs, but no lava flows. The diversity in eruptive style at these two centers reflects different magma ascent and crystallization processes, deduced using olivine-hosted melt inclusions. Jorullo melt inclusions trap variably degassed melts (0.5-5 wt% H2O; 0-1000 ppm CO2), with associated crystallization pressures that decrease from early (<4 kbars) to late (<100 bars) in the eruption. These data support the formation of a shallow storage region beneath the volcano that facilitated both crystallization and magma degassing, which is consistent with effusion of degassed lavas from the base of the cone throughout the eruption. In contrast, Blue Lake inclusions trap melts with a restricted range of volatiles (2.6-4 wt% H2O; 677-870 ppm CO2) corresponding to crystallization pressures of 2.2-3.2 kbars. This suggests that the magma feeding Blue Lake stalled in the upper crust and crystallized before ascending rapidly to the surface, without further crystallization of olivine or shallow storage. This is consistent with both the observed unstratified tephra deposits (indicating single rather than pulsatory eruptions) and the absence of lava flows. Our data suggest that in spite of similar compositions and volatile contents, these two volcanoes produced distinctive eruption styles. Although external water clearly played an important role in the eruption at Blue Lake, both volcanoes had explosive, magmatic volatile-driven eruptions. These eruptions clearly show that monogenetic centers are capable of a wide variety of eruptive styles and hazards, which may depend in large part on processes of magma ascent, degassing, and crystallization.

Growth of triglycine sulfate (TGS) crystals by solution technique

NASA Technical Reports Server (NTRS)

Lal, R. B.; Kroes, R. L.; Wilcox, W. R.

1982-01-01

The growth of crystals from solution is greatly influenced by buoyancy driven convection. In a low-g environment, convection is greatly suppressed and diffusion becomes the predominant mechanism for thermal and mass transport. An experiment to grow TGS crystals by solution technique during the orbital Spacelab III mission has been designed. Crystals are grown by a new and unique technique of extracting heat from the crystal through a sting. The cooling at the sting tip is responsible for the desired supersaturation near the growing crystal. Calculations indicate that the cooled sting technique for solution crystal growth is necessary in low-g to maintain a maximum growth rate of 1 mm/day. Results of groundbased work in support of the flight experiment are discussed.

Discovery of a meta-stable Al-Sm phase with unknown stoichiometry using a genetic algorithm

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

Zhang, Feng; McBrearty, Ian; Ott, R. T.

Unknown crystalline phases observed during the devitrification process of glassy metal alloys significantly limit our ability to understand and control phase selection in these systems driven far from equilibrium. Here, we report a new meta-stable Al 5Sm phase identified by simultaneously searching Al-rich compositions of the Al–Sm system, using an efficient genetic algorithm. The excellent match between calculated and experimental X-ray diffraction patterns confirms that this new phase appeared in the crystallization of melt-spun Al 90Sm 10 alloys.

Large scale crystallization of protein pharmaceuticals in microgravity via temperature change

NASA Technical Reports Server (NTRS)

Long, Marianna M.

1992-01-01

The major objective of this research effort is the temperature driven growth of protein crystals in large batches in the microgravity environment of space. Pharmaceutical houses are developing protein products for patient care, for example, human insulin, human growth hormone, interferons, and tissue plasminogen activator or TPA, the clot buster for heart attack victims. Except for insulin, these are very high value products; they are extremely potent in small quantities and have a great value per gram of material. It is feasible that microgravity crystallization can be a cost recoverable, economically sound final processing step in their manufacture. Large scale protein crystal growth in microgravity has significant advantages from the basic science and the applied science standpoints. Crystal growth can proceed unhindered due to lack of surface effects. Dynamic control is possible and relatively easy. The method has the potential to yield large quantities of pure crystalline product. Crystallization is a time honored procedure for purifying organic materials and microgravity crystallization could be the final step to remove trace impurities from high value protein pharmaceuticals. In addition, microgravity grown crystals could be the final formulation for those medicines that need to be administered in a timed release fashion. Long lasting insulin, insulin lente, is such a product. Also crystalline protein pharmaceuticals are more stable for long-term storage. Temperature, as the initiation step, has certain advantages. Again, dynamic control of the crystallization process is possible and easy. A temperature step is non-invasive and is the most subtle way to control protein solubility and therefore crystallization. Seeding is not necessary. Changes in protein and precipitant concentrations and pH are not necessary. Finally, this method represents a new way to crystallize proteins in space that takes advantage of the unique microgravity environment. The results from two flights showed that the hardware performed perfectly, many crystals were produced, and they were much larger than their ground grown controls. Morphometric analysis was done on over 4,000 crystals to establish crystal size, size distribution, and relative size. Space grown crystals were remarkably larger than their earth grown counterparts and crystal size was a function of PCF volume. That size distribution for the space grown crystals was a function of PCF volume may indicate that ultimate size was a function of temperature gradient. Since the insulin protein concentration was very low, 0.4 mg/ml, the size distribution could also be following the total amount of protein in each of the PCF's. X-ray analysis showed that the bigger space grown insulin crystals diffracted to higher resolution than their ground grown controls. When the data were normalized for size, they still indicated that the space crystals were better than the ground crystals.

Tailored hierarchical micelle architectures using living crystallization-driven self-assembly in two dimensions

NASA Astrophysics Data System (ADS)

Hudson, Zachary M.; Boott, Charlotte E.; Robinson, Matthew E.; Rupar, Paul A.; Winnik, Mitchell A.; Manners, Ian

2014-10-01

Recent advances in the self-assembly of block copolymers have enabled the precise fabrication of hierarchical nanostructures using low-cost solution-phase protocols. However, the preparation of well-defined and complex planar nanostructures in which the size is controlled in two dimensions (2D) has remained a challenge. Using a series of platelet-forming block copolymers, we have demonstrated through quantitative experiments that the living crystallization-driven self-assembly (CDSA) approach can be extended to growth in 2D. We used 2D CDSA to prepare uniform lenticular platelet micelles of controlled size and to construct precisely concentric lenticular micelles composed of spatially distinct functional regions, as well as complex structures analogous to nanoscale single- and double-headed arrows and spears. These methods represent a route to hierarchical nanostructures that can be tailored in 2D, with potential applications as diverse as liquid crystals, diagnostic technology and composite reinforcement.

Constraints on crystallization of basaltic magma: observations from Kilauea Iki lava lake, Hawaii

NASA Astrophysics Data System (ADS)

Helz, Rosalind

2013-04-01

Kilauea Iki lava lake is a picritic (average MgO = 15.5%) magma body, approximately 135 m thick, which underwent extensive internal differentiation as it cooled and crystallized from its formation during the eruption of 1959 until final solidification in the mid-nineties. Observations of its initial state include data on the stages of filling of the lava lake, plus the sequence and temperature of lava compositions erupted. Drilling and core recovery (from 1960 to 1988) have documented the state of the lake at specific times, showing that the rate of growth of the upper crust was nearly linear (~2.5 m per year between 1962 and 1979), and that the overall pattern of cooling of the lava lake is consistent with conductive heat loss. Recovery and analysis of partially molten drill core has provided a detailed view of the cooling and differentiation history of the melts and minerals within the lake. Observations that may be relevant to older systems include: (1) documentation of when and to what extent olivine settling occurred in the lake; (2) the observation that the most differentiated part of the lake, which lies within the upper crust at a depth of 20-40 m, had completely crystallized by 1975, and (3) the observation that the position of the last interstitial melt was at 80-85 m down, or 62% of the way down in the lake, as would be predicted from conductive cooling. The lava lake lost heat through its roof faster than through the floor, with the result that the position of most-differentiated horizon is grossly offset from the position of the final melt. Circulation patterns in Kilauea Iki were initially driven by lava input during the eruption plus extensive loss of volatiles. These processes significantly affected the location of foundered crust within the lake, as well as the accumulation of coarse, pre-existing olivine phenocrysts between 50 and 95 m. Subsequently, two other major differentiation processes within the lake were driven by upward movement of low-density melts (compositional convection) or of vesicle plumes + melts. These two processes operated vertically, with large-scale motion perpendicular to the (sub-horizontal) isothermal surfaces in the crystallizing mush zones. They have also influenced the grainsize of groundmass minerals throughout the lake. These processes, together with limited olivine settling, have created the existing chemically zoned body. Because of the real-time constraints on when and by what processes the differentiated body that now exists at Kilauea Iki was produced, we can begin to better understand other, older lava lakes and sills, where only the final state is available to us.

Genetic algorithm driven spectral shaping of supercontinuum radiation in a photonic crystal fiber

NASA Astrophysics Data System (ADS)

Michaeli, Linor; Bahabad, Alon

2018-05-01

We employ a genetic algorithm to control a pulse-shaping system pumping a nonlinear photonic crystal with ultrashort pulses. With this system, we are able to modify the spectrum of the generated supercontinuum (SC) radiation to yield narrow Gaussian-like features around pre-selected wavelengths over the whole SC spectrum.

Activity-induced instability of phonons in 1D microfluidic crystals.

PubMed

Tsang, Alan Cheng Hou; Shelley, Michael J; Kanso, Eva

2018-02-14

One-dimensional crystals of passively-driven particles in microfluidic channels exhibit collective vibrational modes reminiscent of acoustic 'phonons'. These phonons are induced by the long-range hydrodynamic interactions among the particles and are neutrally stable at the linear level. Here, we analyze the effect of particle activity - self-propulsion - on the emergence and stability of these phonons. We show that the direction of wave propagation in active crystals is sensitive to the intensity of the background flow. We also show that activity couples, at the linear level, transverse waves to the particles' rotational motion, inducing a new mode of instability that persists in the limit of large background flow, or, equivalently, vanishingly small activity. We then report a new phenomenon of phonons switching back and forth between two adjacent crystals in both passively-driven and active systems, similar in nature to the wave switching observed in quantum mechanics, optical communication, and density stratified fluids. These findings could have implications for the design of commercial microfluidic systems and the self-assembly of passive and active micro-particles into one-dimensional structures.

Electrochemical deposition of silver crystals aboard Skylab 4

NASA Technical Reports Server (NTRS)

Grodzka, P. G.; Facemire, B. R.; Johnston, M. H.; Gates, D. W.

1976-01-01

Silver crystals were grown aboard Skylab 4 by an electro-chemical reaction and subsequently returned to earth for comparison with crystals grown at 1- and 5-g. Both the Skylab and earth-grown crystals show a variety of structures. Certain tendencies in structure dependency on gravity level, however, can be discerned. In addition, downward growing dendrite streamers; upward growing chunky crystal streamers; growth along an air/liquid interface; and ribbon, film, and fiber crystal habits were observed in experiments conducted on the ground with solutions of varying concentrations. It was also observed that the crystal structures of space and ground electro-deposited silver crystals were very similar to the structures of germanium selenide and germanium telluride crystals grown in space and on the ground by a vapor transport technique. Consideration of the data leads to the conclusions that: (1) the rate of electrochemical displacement of silver ions from a 5 percent aqueous solution by copper is predominantly diffussion controlled in space and kinetically controlled in 1- and higher-g because of augmentation of mass transport by convection; (2) downward and upward crystal streamers are the result of gravity-driven convection, the flow patterns of which can be delineated. Lateral growths along an air/liquid interface are the result of surface-tension-driven convection, the pattern of which also can be delineated; (3) electrolysis in space or low-g environments can produce either dendritic crystals with more perfect microcrystalline structures or massive, single crystals with fewer defects than those grown on ground or at higher g-levels. Ribbons or films of space-grown silicon crystals would find a ready market for electronic substrate and photocell applications. Space-grown dendritic, metal crystals present the possibility of unique catalysts. Large perfect crystals of various materials are desired for a number of electronic and optical applications; and (4) vapor transport growth of germanium selenide and germanium telluride is affected by convection mechanisms similar to the mechanisms hypothesized for the electrochemical deposition of silver crystals. Evidence and considerations leading to the preceding summaries and conclusions are presented. The implications of the findings and conclusions for technological applications are discussed, and recommendations for further experiments are presented.

Solvation and Aggregation of Meta-Aminobenzoic Acid in Water: Density Functional Theory and Molecular Dynamics Study

PubMed Central

Gaines, Etienne

2018-01-01

Meta-aminobenzoic acid, an important model system in the study of polymorphism and crystallization of active pharmaceutical ingredients, exist in water in both the nonionic (mABA) and zwitterionic (mABA±) forms. However, the constituent molecules of the polymorph that crystallizes from aqueous solutions are zwitterionic. This study reports atomistic simulations of the events surrounding the early stage of crystal nucleation of meta-aminobenzoic acid from aqueous solutions. Ab initio molecular dynamics was used to simulate the hydration of mABA± and mABA and to quantify the interaction of these molecules with the surrounding water molecules. Density functional theory calculations were conducted to determine the low-lying energy conformers of meta-aminobenzoic acid dimers and to compute the Gibbs free energies in water of nonionic, (mABA)2, zwitterionic, (mABA±)2, and nonionic-zwitterionic, (mABA)(mABA±), species. Classical molecular dynamics simulations of mixed mABA–mABA± aqueous solutions were carried out to examine the aggregation of meta-aminobenzoic acid. According to these simulations, the selective crystallization of the polymorphs whose constituent molecules are zwitterionic is driven by the formation of zwitterionic dimers in solution, which are thermodynamically more stable than (mABA)2 and (mABA)(mABA±) pairs. This work represents a paradigm of the role of molecular processes during the early stages of crystal nucleation in affecting polymorph selection during crystallization from solution. PMID:29360788

Self-assembly of chiral (1R,2S)-ephedrine and (1S,2S)-pseudoephedrine into low-dimensional aluminophosphate materials driven by their amphiphilic nature.

PubMed

Bernardo-Maestro, Beatriz; Garrido-Martín, Elisa; López-Arbeloa, Fernando; Pérez-Pariente, Joaquín; Gómez-Hortigüela, Luis

2018-03-28

In an attempt to promote the crystallization of chiral inorganic frameworks, we explore the ability of chiral (1R,2S)-ephedrine and its diastereoisomer (1S,2S)-pseudoephedrine to act as organic building blocks for the crystallization of hybrid organo-inorganic aluminophosphate frameworks in the presence of fluoride. These molecules were selected because of their particular molecular asymmetric structure, which enables a rich supramolecular chemistry and a potential chiral recognition phenomenon during crystallization. Up to four new low-dimensional materials have been produced, wherein the organic molecules form an organic bilayer in-between the inorganic networks. We analyze by molecular simulations the trend of these chiral molecules to form these types of framework, which is directly related to their amphiphilic nature that triggers a strong self-assembly through hydrophobic interactions between aromatic rings and hydrophilic interactions with the fluoro-aluminophosphate inorganic units. Such a self-assembly process is strongly dependent on the concentration of the organic molecules.

Transformation and crystallization energetics of synthetic and biogenic amorphous calcium carbonate

PubMed Central

Radha, A. V.; Forbes, Tori Z.; Killian, Christopher E.; Gilbert, P. U. P. A.; Navrotsky, Alexandra

2010-01-01

Amorphous calcium carbonate (ACC) is a metastable phase often observed during low temperature inorganic synthesis and biomineralization. ACC transforms with aging or heating into a less hydrated form, and with time crystallizes to calcite or aragonite. The energetics of transformation and crystallization of synthetic and biogenic (extracted from California purple sea urchin larval spicules, Strongylocentrotus purpuratus) ACC were studied using isothermal acid solution calorimetry and differential scanning calorimetry. Transformation and crystallization of ACC can follow an energetically downhill sequence: more metastable hydrated ACC → less metastable hydrated ACC⇒anhydrous ACC ∼ biogenic anhydrous ACC⇒vaterite → aragonite → calcite. In a given reaction sequence, not all these phases need to occur. The transformations involve a series of ordering, dehydration, and crystallization processes, each lowering the enthalpy (and free energy) of the system, with crystallization of the dehydrated amorphous material lowering the enthalpy the most. ACC is much more metastable with respect to calcite than the crystalline polymorphs vaterite or aragonite. The anhydrous ACC is less metastable than the hydrated, implying that the structural reorganization during dehydration is exothermic and irreversible. Dehydrated synthetic and anhydrous biogenic ACC are similar in enthalpy. The transformation sequence observed in biomineralization could be mainly energetically driven; the first phase deposited is hydrated ACC, which then converts to anhydrous ACC, and finally crystallizes to calcite. The initial formation of ACC may be a first step in the precipitation of calcite under a wide variety of conditions, including geological CO2 sequestration. PMID:20810918

Flight Experiments of Physical Vapor Transport of ZnSe: Growth of Crystals in Various Convective Conditions

NASA Technical Reports Server (NTRS)

Su, Ching-Hua

2015-01-01

A low gravity material experiment will be performed in the Material Science Research Rack (MSRR) on International Space Station (ISS). The flight experiment will conduct crystal growths of ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, by physical vapor transport (PVT). The main objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the grown crystals as results of buoyancy-driven convection and growth interface fluctuations caused by irregular fluid-flows on Earth. The investigation consists of extensive ground-based experimental and theoretical research efforts and concurrent flight experimentation. The objectives of the ground-based studies are (1) obtain the experimental data and conduct the analyses required to define the optimum growth parameters for the flight experiments, (2) perfect various characterization techniques to establish the standard procedure for material characterization, (3) quantitatively establish the characteristics of the crystals grown on Earth as a basis for subsequent comparative evaluations of the crystals grown in a low-gravity environment and (4) develop theoretical and analytical methods required for such evaluations. ZnSe and related ternary compounds have been grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals have been characterized extensively by various techniques to correlate the grown crystal properties with the growth conditions. This talk will focus on the ground-based studies on the PVT crystal growth of ZnSe and related ternary compounds, especially the effects of different growth orientations related to gravity direction on the grown crystals.

Strong-field and attosecond physics in solids

DOE PAGES

Ghimire, Shambhu; Ndabashimiye, Georges; DiChiara, Anthony D.; ...

2014-10-08

We review the status of strong-field and attosecond processes in bulk transparent solids near the Keldysh tunneling limit. For high enough fields and low-frequency excitations, the optical and electronic properties of dielectrics can be transiently and reversibly modified within the applied pulse. In Ghimire et al (2011 Phys. Rev. Lett. 107 167407) non-parabolic band effects were seen in photon-assisted tunneling experiments in ZnO crystals in a strong mid-infrared field. Using the same ZnO crystals, Ghimire et al (2011 Nat. Phys. 7 138–41) reported the first observation of non-pertubative high harmonics, extending well above the bandgap into the vacuum ultraviolet. Recent experiments by Schubert et al (2014 Nat. Photonics 8 119–23) showed a carrier envelope phase dependence in the harmonic spectrum in strong-field 30 THz driven GaSe crystals which is the most direct evidence yet of the role of sub-cycle electron dynamics in solid-state harmonic generation. The harmonic generation mechanism is different from the gas phase owing to the high density and periodicity of the crystal. For example, this results in a linear dependence of the high-energy cutoff with the applied field in contrast to the quadratic dependence in the gas phase. Sub-100 attosecond pulses could become possible if the harmonic spectrum can be extended into the extreme ultraviolet (XUV). Here we report harmonics generated in bulk MgO crystals, extending tomore » $$\\sim 26$$ eV when driven by ~35 fs, 800 nm pulses focused to a ~1 VÅ$$^{-1}$$ peak field. The fundamental strong-field and attosecond response also leads to Wannier–Stark localization and reversible semimetallization as seen in the sub-optical cycle behavior of XUV absorption and photocurrent experiments on fused silica by Schiffrin et al (2013 Nature 493 70–4) and Schultze et al (2013 Nature 493 75–8). These studies are advancing our understanding of fundamental strong-field and attosecond physics in solids with potential applications for compact coherent short-wavelength sources and ultra-high speed optoelectronics.« less

Analytical network-averaging of the tube model: Strain-induced crystallization in natural rubber

NASA Astrophysics Data System (ADS)

Khiêm, Vu Ngoc; Itskov, Mikhail

2018-07-01

In this contribution, we extend the analytical network-averaging concept (Khiêm and Itskov, 2016) to phase transition during strain-induced crystallization of natural rubber. To this end, a physically-based constitutive model describing the nonisothermal strain-induced crystallization is proposed. Accordingly, the spatial arrangement of polymer subnetworks is driven by crystallization nucleation and consequently alters the mesoscopic deformation measures. The crystallization growth is elucidated by diffusion of chain segments into crystal nuclei. The crystallization results in a change of temperature and an evolution of heat source. By this means, not only the crystallization kinetics but also the Gough-Joule effect are thoroughly described. The predictive capability of the constitutive model is illustrated by comparison with experimental data for natural rubbers undergoing strain-induced crystallization. All measurable values such as stress, crystallinity and heat source are utilized for the comparison.

Transition from Irradiation-Induced Amorphization to Crystallization in Nanocrystalline Silicon Carbide

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

Jiang, Weilin; Jiao, Liang; Wang, Haiyan

2011-12-01

Response to irradiation of nanocrystalline 3C-SiC is studied using 2 MeV Au+ ions near the critical temperature for amorphization and is compared to the behavior of its monocrystalline counterpart under the identical irradiation conditions. The irradiated samples have been characterized using in-situ ion channeling, ex-situ x-ray diffraction, and helium ion microscopy. Compared to monocrystalline 3C-SiC, a faster amorphization process in the nanocrystalline material (average grain size = 3.3 nm) is observed at 500 K. However, the nanograin grows with increasing ion fluence at 550 K and the grain size tends to saturate at high fluences. The striking contrast demonstrates amore » sharp transition from irradiation-induced interface-driven amorphization at 500 K to crystallization at 550 K. The results could show potential impacts of nanocrystalline SiC on nuclear fuel cladding and structural components of next-generation nuclear energy systems.« less

Helical Growth of Aluminum Nitride: New Insights into Its Growth Habit from Nanostructures to Single Crystals

PubMed Central

Zhang, Xing-Hong; Shao, Rui-Wen; Jin, Lei; Wang, Jian-Yu; Zheng, Kun; Zhao, Chao-Liang; Han, Jie-Cai; Chen, Bin; Sekiguchi, Takashi; Zhang, Zhi; Zou, Jin; Song, Bo

2015-01-01

By understanding the growth mechanism of nanomaterials, the morphological features of nanostructures can be rationally controlled, thereby achieving the desired physical properties for specific applications. Herein, the growth habits of aluminum nitride (AlN) nanostructures and single crystals synthesized by an ultrahigh-temperature, catalyst-free, physical vapor transport process were investigated by transmission electron microscopy. The detailed structural characterizations strongly suggested that the growth of AlN nanostructures including AlN nanowires and nanohelixes follow a sequential and periodic rotation in the growth direction, which is independent of the size and shape of the material. Based on these experimental observations, an helical growth mechanism that may originate from the coeffect of the polar-surface and dislocation-driven growth is proposed, which offers a new insight into the related growth kinetics of low-dimensional AlN structures and will enable the rational design and synthesis of novel AlN nanostructures. Further, with the increase of temperature, the growth process of AlN grains followed the helical growth model. PMID:25976071

Investigation of microgravity effects on solidification phenomena of selected materials

NASA Technical Reports Server (NTRS)

Maag, Carl R.; Hansen, Patricia A.

1992-01-01

A Get Away Special (GAS) experiment payload to investigate microgravity effects on solidification phenomena of selected experimental samples has been designed for flight. It is intended that the first flight of the assembly will (1) study the p-n junction characteristics for advancing semiconductor device applications, (2) study the effects of gravity-driven convection on the growth of HgCd crystals, (3) compare the textures of the sample which crystallizes in microgravity with those found in chondrite meteorites, and (4) modify glass optical characteristics through divalent oxygen exchange. The space flight experiment consists of many small furnaces. While the experiment payload is in the low gravity environment of orbital flight, the payload controller will sequentially activate the furnaces to heat samples to their melt state and then allow cooling to resolidification in a controlled fashion. The materials processed in the microgravity environment of space will be compared to the same materials processed on earth in a one-gravity environment. This paper discusses the design of all subassemblies (furnance, electronics, and power systems) in the experiment. A complete description of the experimental materials is also presented.

Scalable and uniform 1D nanoparticles by synchronous polymerization, crystallization and self-assembly

NASA Astrophysics Data System (ADS)

Boott, Charlotte E.; Gwyther, Jessica; Harniman, Robert L.; Hayward, Dominic W.; Manners, Ian

2017-08-01

The preparation of well-defined nanoparticles based on soft matter, using solution-processing techniques on a commercially viable scale, is a major challenge of widespread importance. Self-assembly of block copolymers in solvents that selectively solvate one of the segments provides a promising route to core-corona nanoparticles (micelles) with a wide range of potential uses. Nevertheless, significant limitations to this approach also exist. For example, the solution processing of block copolymers generally follows a separate synthesis step and is normally performed at high dilution. Moreover, non-spherical micelles—which are promising for many applications—are generally difficult to access, samples are polydisperse and precise dimensional control is not possible. Here we demonstrate the formation of platelet and cylindrical micelles at concentrations up to 25% solids via a one-pot approach—starting from monomers—that combines polymerization-induced and crystallization-driven self-assembly. We also show that performing the procedure in the presence of small seed micelles allows the scalable formation of low dispersity samples of cylindrical micelles of controlled length up to three micrometres.

Origin of Aphyric Phonolitic Magmas: Natural Evidences and Experimental Constraints

NASA Astrophysics Data System (ADS)

Masotta, M.; Freda, C.; Gaeta, M.

2010-12-01

Large explosive phonolitic eruptions are commonly characterised by aphyric juvenile eruptive products. Taking into account the low density contrast among phonolitic composition and settling phases (i.e., feldspar and leucite), the almost complete lack of crystals in these differentiated compositions rises the question of which process could produce such an efficient crystal-melt separation. Seeking for an answer, we have investigated crystallization in presence of a thermal gradient as a possible mechanism for crystal-melt separation, considering both chemical and physical effects acting on a variably crystallized system. Using a natural tephri-phonolitic composition as starting material (M.te Aguzzo scoria cone, Sabatini Volcanic District, Central Italy), we have reproduced thermal gradient-driven crystallization in order to simulate the crystallization process in a thermally zoned magma chamber. Crystallization degree (paragenesis made of clinopyroxene±feldspars±leucite) as well as melt composition varies along the thermal gradient. In particular, melt composition ranges from the tephri-phonolitic starting composition at the bottom of the charge (hottest and aphyric zone) to phonolitic at the top (cooler and heterogeneously-crystallised zone). Backscattered images of experimental products clearly evidence: i) the aphyric tephri-phonolitic melt region at the bottom of the charge; ii) a drop-shaped crystal clustering in the middle zone; and iii) large aphyric belt and pockets (up to 100 µm wide) of phonolitic melt, with large deformed-shaped sanidine occurring at their margin, at the charge top region. The latter two features, resulting from solid-melt displacements, suggest that the segregation of phonolitic melt can be related to crystal sinking and compaction. On the other hand, the compositional variability of the melt along the thermal gradient is directly related to the crystallization degree, indicating that chemical diffusion and thermal migration have negligible effect at the experimental scale. Experimental results suggest that, in presence of a thermal gradient, a filter-press differentiation mechanism (i.e. sinking+compaction) is able to produce heterogeneous magma differentiation characterised by a wide range of melt compositions (in our case from tephri-phonolitic to phonolitic). Although the limitation due to the vertical shape of the charge and consequent shear effects occurring at the lateral walls (thus limiting the mobility of the crystal clusters), experimental duration of 24 h is enough to allow crystal-melt separation by means of settling and compaction, indicating that timescale for such a process is extremely rapid and effective at experimental conditions. Actually, experimental textures and phase relations are in good agreement with those observed in natural lithic enclaves (from Sabatini Volcanic District) representative of the crystallizing boundary layer of a phonolitic magma chamber. Thus, we speculate that gravitative collapses of a mushy zone from the magma chamber roof of a thermally zoned magma chamber may produce top accumulation of highly differentiated and aphyric melts.

Adsorption of Xyloglucan onto Cellulose Surfaces of Different Morphologies: An Entropy-Driven Process.

PubMed

Benselfelt, Tobias; Cranston, Emily D; Ondaral, Sedat; Johansson, Erik; Brumer, Harry; Rutland, Mark W; Wågberg, Lars

2016-09-12

The temperature-dependence of xyloglucan (XG) adsorption onto smooth cellulose model films regenerated from N-methylmorpholine N-oxide (NMMO) was investigated using surface plasmon resonance spectroscopy, and it was found that the adsorbed amount increased with increasing temperature. This implies that the adsorption of XG to NMMO-regenerated cellulose is endothermic and supports the hypothesis that the adsorption of XG onto cellulose is an entropy-driven process. We suggest that XG adsorption is mainly driven by the release of water molecules from the highly hydrated cellulose surfaces and from the XG molecules, rather than through hydrogen bonding and van der Waals forces as previously suggested. To test this hypothesis, the adsorption of XG onto cellulose was studied using cellulose films with different morphologies prepared from cellulose nanocrystals (CNC), semicrystalline NMMO-regenerated cellulose, and amorphous cellulose regenerated from lithium chloride/dimethylacetamide. The total amount of high molecular weight xyloglucan (XGHMW) adsorbed was studied by quartz crystal microbalance and reflectometry measurements, and it was found that the adsorption was greatest on the amorphous cellulose followed by the CNC and NMMO-regenerated cellulose films. There was a significant correlation between the cellulose dry film thickness and the adsorbed XG amount, indicating that XG penetrated into the films. There was also a correlation between the swelling of the films and the adsorbed amounts and conformation of XG, which further strengthened the conclusion that the water content and the subsequent release of the water upon adsorption are important components of the adsorption process.

Finite Element Analysis of Magnetic Damping Effects on G-Jitter Induced Fluid Flow

NASA Technical Reports Server (NTRS)

Pan, Bo; Li, Ben Q.; deGroh, Henry C., III

1997-01-01

This paper reports some interim results on numerical modeling and analyses of magnetic damping of g-jitter driven fluid flow in microgravity. A finite element model is developed to represent the fluid flow, thermal and solute transport phenomena in a 2-D cavity under g-jitter conditions with and without an applied magnetic field. The numerical model is checked by comparing with analytical solutions obtained for a simple parallel plate channel flow driven by g-jitter in a transverse magnetic field. The model is then applied to study the effect of steady state g-jitter induced oscillation and on the solute redistribution in the liquid that bears direct relevance to the Bridgman-Stockbarger single crystal growth processes. A selection of computed results is presented and the results indicate that an applied magnetic field can effectively damp the velocity caused by g-jitter and help to reduce the time variation of solute redistribution.

Elasticity-driven partial demixing in cholesteric liquid crystal films.

PubMed

Schmidtke, Jürgen; Coles, Harry J

2009-07-01

We discuss the partial demixing of a chiral nematic mixture of a chiral and an achiral compound, induced by inhomogeneous confinement between substrates. While the effect is tiny in low molar mass mixtures, it is predicted to be noticeable in polymeric systems. The potential of the effect for improving performance of liquid crystal based photonic devices is discussed.

Mechanisms for the Crystallization of ZBLAN

NASA Technical Reports Server (NTRS)

Ethridge, Edwin C.; Tucker, Dennis S.; Kaukler, William; Antar, Basil

2003-01-01

The objective of this ground based study is to test the hypothesis that shear thinning (the non-Newtonian response of viscosity to shear rate) is a viable mechanism to explain the observation of enhanced glass formation in numerous low-g experiments. In 1-g, fluid motion results from buoyancy forces and surface tension driven convection. This fluid flow will introduce shear in undercooled liquids in 1-g. In low-g it is known that fluid flows are greatly reduced so that the shear rate in fluids can be extremely low. It is believed that some fluids may have weak structure in the absence of flow. Very small shear rates could cause this structure to collapse in response to shear resulting in a lowering of the viscosity of the fluid. The hypothesis of this research is that: Shear thinning in undercooled liquids decreases the viscosity, increasing the rate of nucleation and crystallization of glass forming melts. Shear in the melt can be reduced in low-g, thus enhancing undercooling and glass formation. The viscosity of a model glass (lithium di-silicate, L2S) often used for crystallization studies has been measured at very low shear rates using a dynamic mechanical thermal analyzer. Our results are consistent with increasing viscosity with a lowering of shear rates. The viscosity of L2S may vary as much as an order of magnitude depending on the shear rate in the temperature region of maximum nucleation and crystal growth. Classical equations for nucleation and crystal growth rates, are inversely related to the viscosity and viscosity to the third power respectively. An order of magnitude variation in viscosity (with shear) at a given temperature would have dramatic effects on glass crystallization Crystallization studies with the heavy metal fluoride glass ZBLAN (ZrF2-BaF2-LaF3-AlF3-NaF) to examine the effect of shear on crystallization are being initiated. Samples are to be melted and quenched under quiescent conditions at different shear rates to determine the effect on crystallization. The results from this study are expected to advance the current scientific understanding of glass formation in low-g and glass crystallization under glass molding conditions and will improve the scientific understanding of technological processes such as fiber pulling, bulk amorphous alloys, and glass fabrication processes.

Analysis of models for two solution crystal growth problems

NASA Technical Reports Server (NTRS)

Fehribach, Joseph D.; Rosenberger, Franz

1989-01-01

Two diffusive solution crystal growth models are considered which are characterized by two phases separated by an interface, a lack of convective mixing in either phase, and the presence of diffusion components differing widely in diffusivity. The first model describes precipitant-driven solution crystal growth and the second model describes a hanging drop evaporation problem. It is shown that for certain proteins sharp concentration gradients may develop in the drop during evaporation, while under the same conditions the concentrations of other proteins remain uniform.

Desolvation-Driven 100-Fold Slow-down of Tunneling Relaxation Rate in Co(II)-Dy(III) Single-Molecule Magnets through a Single-Crystal-to-Single-Crystal Process

NASA Astrophysics Data System (ADS)

Liu, Jun-Liang; Wu, Jie-Yi; Huang, Guo-Zhang; Chen, Yan-Cong; Jia, Jian-Hua; Ungur, Liviu; Chibotaru, Liviu F.; Chen, Xiao-Ming; Tong, Ming-Liang

2015-11-01

Single-molecule magnets (SMMs) are regarded as a class of promising materials for spintronic and ultrahigh-density storage devices. Tuning the magnetic dynamics of single-molecule magnets is a crucial challenge for chemists. Lanthanide ions are not only highly magnetically anisotropic but also highly sensitive to the changes in the coordination environments. We developed a feasible approach to understand parts of the magneto-structure correlations and propose to regulate the relaxation behaviors via rational design. A series of Co(II)-Dy(III)-Co(II) complexes were obtained using in situ synthesis; in this system of complexes, the relaxation dynamics can be greatly improved, accompanied with desolvation, via single-crystal to single-crystal transformation. The effective energy barrier can be increased from 293 cm-1 (422 K) to 416 cm-1 (600 K), and the tunneling relaxation time can be grown from 8.5 × 10-4 s to 7.4 × 10-2 s. These remarkable improvements are due to the change in the coordination environments of Dy(III) and Co(II). Ab initio calculations were performed to better understand the magnetic dynamics.

Raw material variability of an active pharmaceutical ingredient and its relevance for processability in secondary continuous pharmaceutical manufacturing.

PubMed

Stauffer, F; Vanhoorne, V; Pilcer, G; Chavez, P-F; Rome, S; Schubert, M A; Aerts, L; De Beer, T

2018-06-01

Active Pharmaceutical Ingredients (API) raw material variability is not always thoroughly considered during pharmaceutical process development, mainly due to low quantities of drug substance available. However, synthesis, crystallization routes and production sites evolve during product development and product life cycle leading to changes in physical material attributes which can potentially affect their processability. Recent literature highlights the need for a global approach to understand the link between material synthesis, material variability, process and product quality. The study described in this article aims at explaining the raw material variability of an API using extensive material characterization on a restricted number of representative batches using multivariate data analysis. It is part of a larger investigation trying to link the API drug substance manufacturing process, the resulting physical API raw material attributes and the drug product continuous manufacturing process. Eight API batches produced using different synthetic routes, crystallization, drying, delumping processes and processing equipment were characterized, extensively. Seventeen properties from seven characterization techniques were retained for further analysis using Principal Component Analysis (PCA). Three principal components (PCs) were sufficient to explain 92.9% of the API raw material variability. The first PC was related to crystal length, agglomerate size and fraction, flowability and electrostatic charging. The second PC was driven by the span of the particle size distribution and the agglomerates strength. The third PC was related to surface energy. Additionally, the PCA allowed to summarize the API batch-to-batch variability in only three PCs which can be used in future drug product development studies to quantitatively evaluate the impact of the API raw material variability upon the drug product process. The approach described in this article could be applied to any other compound which is prone to batch-to-batch variability. Copyright © 2018 Elsevier B.V. All rights reserved.

Simulation of Non-Abelian Braiding in Majorana Time Crystals

NASA Astrophysics Data System (ADS)

Bomantara, Raditya Weda; Gong, Jiangbin

2018-06-01

Discrete time crystals have attracted considerable theoretical and experimental studies but their potential applications have remained unexplored. A particular type of discrete time crystals, termed "Majorana time crystals," is found to emerge in a periodically driven superconducting wire accommodating two different species of topological edge modes. It is further shown that one can manipulate different Majorana edge modes separated in the time lattice, giving rise to an unforeseen scenario for topologically protected gate operations mimicking braiding. The proposed protocol can also generate a magic state that is important for universal quantum computation. This study thus advances the quantum control in discrete time crystals and reveals their great potential arising from their time-domain properties.

Energy-dispersive neutron imaging and diffraction of magnetically driven twins in a Ni2MnGa single crystal magnetic shape memory alloy

NASA Astrophysics Data System (ADS)

Kabra, Saurabh; Kelleher, Joe; Kockelmann, Winfried; Gutmann, Matthias; Tremsin, Anton

2016-09-01

Single crystals of a partially twinned magnetic shape memory alloy, Ni2MnGa, were imaged using neutron diffraction and energy-resolved imaging techniques at the ISIS spallation neutron source. Single crystal neutron diffraction showed that the crystal produces two twin variants with a specific crystallographic relationship. Transmission images were captured using a time of flight MCP/Timepix neutron counting detector. The twinned and untwinned regions were clearly distinguishable in images corresponding to narrow-energy transmission images. Further, the spatially-resolved transmission spectra were used to elucidate the orientations of the crystallites in the different volumes of the crystal.

Questioning the Sedimentary Paradigm for Granites

NASA Astrophysics Data System (ADS)

Glazner, A. F.; Bartley, J. M.; Coleman, D. S.; Boudreau, A.; Walker, J. D.

2007-12-01

A critical question regarding volcano-pluton links is whether plutons are samples of magma that passed through on its way to eruption, or residues left behind after volcanic rocks were extracted. A persistent theme of recent work on granites sensu lato is that many are sedimentary accumulations of crystals that lost significant volumes of magmatic liquid. This view is based on observations of structures that clearly seem to reflect deposition on a magma chamber floor (e.g., flows of chilled mafic magma into silicic magma) and on the inference that many other structures, such as modal layering, truncated layering, and crystal accumulations, reflect crystal sedimentation on such chamber floors. There are significant physical and geochemical reasons to question this view, based on observations in the Sierra Nevada of California and similar results from other batholiths. First, few granites show the enrichments in Ba, Sr, and relative Eu that feldspar accumulation should produce. Second, sedimentary features such as graded bedding and cross-bedding form in highly turbulent flows, but turbulence is unachievable in viscous silicic liquids, where velocities on the order of 104 m/s would be required to induce turbulence in a liquid with η=104 Pa s. Third, tabular modally layered domains commonly cut surrounding modal layering on both sides, and orientations of modal layering and of the troughs of "ladder dikes" commonly scatter widely within hectare-sized areas; it is difficult to reconcile these features with gravity-driven settling. Fourth, accumulations of K-feldspar megacrysts are typically inferred to be depositional, but this is precluded by crystallization of most K- feldspar after rheologic lock-up occurs. Finally, accumulations of K-feldspar and hornblende are typically packed too tightly to be depositional. With analogy to layered mafic intrusions, many features attributed to crystal sedimentation in granites may be better explained by crystal aging and other in situ chemical processes. In particular, many of these features may record pore-melt flow paths rather than depositional processes.

The Growth of Protein Crystals Using McDUCK

NASA Technical Reports Server (NTRS)

Ewing, Felicia; Wilson, Lori; Nadarajah, Arunan; Pusey, Marc

1998-01-01

Most of the current microgravity crystal growth hardware is optimized to produce crystals within the limited time available on orbit. This often results in the actual nucleation and growth process being rushed or the system not coming to equilibrium within the limited time available. Longer duration hardware exists, but one cannot readily pick out crystals grown early versus those which nucleated and grew more slowly. We have devised a long duration apparatus, the Multi-chamber Dialysis Unit for Crystallization Kinetics, or McDUCK. This apparatus-is a series of protein chambers, stacked upon a precipitant reservoir chamber. All chambers are separated by a dialysis membrane, which serves to pass small molecules while retaining the protein. The volume of the Precipitant chamber is equal to the sum of the volumes of the protein chamber. In operation, the appropriate chambers are filled with precipitant solution or protein solution, and the McDUCK is placed standing upright, with the precipitant chamber on the bottom. The precipitant diffuses upwards over time, with the time to reach equilibration a function of the diffusivity of the precipitant and the overall length of the diffusion pathway. Typical equilibration times are approximately 2-4 months, and one can readily separate rapid from slow nucleation and growth crystals. An advantage on Earth is that the vertical precipitant concentration gradient dominates that of the solute, thus dampening out solute density gradient driven convective flows. However, large Earth-grown crystals have so far tended to be more two dimensional. Preliminary X-ray diffraction analysis of lysozyme crystals grown in McDUCK have indicated that the best, and largest, come from the middle chambers, suggesting that there is an optimal growth rate. Further, the improvements in diffraction resolution have been better signal to noise ratios in the low resolution data, not an increase in resolution overall. Due to the persistently large crystals grown we are currently proposing McDUCK for the growth of macromolecule crystals for use in neutron diffraction studies.

Identification of Gravity-Related Effects on Crystal Growth From Melts With an Immiscibility Gap

NASA Technical Reports Server (NTRS)

Kassemi, M.; Sayir, A.; Farmer, S.

1999-01-01

This work involves an experimental-numerical approach to study the effects of natural and Marangoni convections on solidification of single crystals from a silicate melt with a liquid-liquid immiscibility gap. Industrial use of crystals grown from silicate melts is becoming increasingly important in electronic, optical, and high temperature structural applications. Even the simplest silicate systems like Al203-SiO2 have had, and will continue to have, a significant role in the development of traditional and advanced ceramics. A unique feature of crystals grown from the silicate systems is their outstanding linear electro-optic properties. They also exhibit exceptionally high optical rotativity. As a result, these crystals are attractive materials for dielectric, optical, and microwave applications. Experimental work in our laboratory has indicated that directional solidification of a single crystal mullite appears to be preceded by liquid-liquid phase separation in the melt. Disruption of the immiscible state results in crystallization of a two phase structure. There is also evidence that mixing in the melt caused by density-driven convection can significantly affect the stability of the immiscible liquid layers and result in poly-crystalline growth. On earth, the immiscible state has only been observed for small diameter crystals grown in float zone systems where natural convection is almost negligible. Therefore, it is anticipated that growth of large single crystals from silicate melts would benefit from microgravity conditions because of the reduction of the natural convective mixing. The main objective of this research is to determine the effects of transport processes on the phase separation in the melt during growth of a single crystal while addressing the following issues: (1) When do the immiscible layers form and are they real?; (2) What are the main physical characteristics of the immiscible liquids?; and (3) How mixing by natural or Marangoni convection affects the stability of the phase separated melt.

Tunable liquid microlens array driven by pyroelectric effect: full interferometric characterization

NASA Astrophysics Data System (ADS)

Miccio, Lisa; Grilli, Simonetta; Vespini, Veronica; Ferraro, Pietro

2008-09-01

Liquid lenses with adjustable focal length are of great interest in the field of microfluidic devices. They are, usually, realized by electrowetting effect after electrodes patterning on a hydrofobic substrate. Applications are possible in many fields ranging from commercial products such as digital cameras to biological cell sorting. We realized an open array of liquid lenses with adjustable focal length without electrode patterning. We used a z-cut Lithium Niobate crystal (LN) as substrate and few microliters of an oily substance to obtain the droplets array. The spontaneous polarization of LN crystals is reversed by the electric field poling process, thus enabling the realization of periodically poled LN (PPLN) crystals. The substrate consists of a two-dimensional square array of reversed domains with a period around 200 μm. Each domain presents an hexagonal geometry due to the crystal structure. PPLN is first covered by a thin and homogeneous layer of the above mentioned liquid and therefore its temperature is changed by means of a digitally controlled hot plate. During heating and cooling process there is a rearrangement of the liquid layer until it reaches the final topography. Lenses formation is due to the superficial tension changing at the liquid-solid interface by means of the pyroelectric effect. Such effect allows to create a two-dimensional lens pattern of tunable focal length without electrodes. The temporal evolution of both shape and focal length lenses are quantitatively measured by Digital Holographic Microscopy. Array imaging properties and quantitative analysis of the lenses features and aberrations are presented.

Crystal Growth of Ternary Compound Semiconductors in Low Gravity Environment

NASA Technical Reports Server (NTRS)

Su, Ching-Hua

2014-01-01

A low gravity material experiment will be performed in the Material Science Research Rack (MSRR) on International Space Station (ISS). There are two sections of the flight experiment: (I) crystal growth of ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, by physical vapor transport (PVT) and (II) melt growth of CdZnTe by directional solidification. The main objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the grown crystals as results of buoyancy-driven convection and growth interface fluctuations caused by irregular fluid-flows on Earth. The investigation consists of extensive ground-based experimental and theoretical research efforts and concurrent flight experimentation. This talk will focus on the ground-based studies on the PVT crystal growth of ZnSe and related ternary compounds. The objectives of the ground-based studies are (1) obtain the experimental data and conduct the analyses required to define the optimum growth parameters for the flight experiments, (2) perfect various characterization techniques to establish the standard procedure for material characterization, (3) quantitatively establish the characteristics of the crystals grown on Earth as a basis for subsequent comparative evaluations of the crystals grown in a low-gravity environment and (4) develop theoretical and analytical methods required for such evaluations. ZnSe and related ternary compounds have been grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals have been characterized extensively by various techniques to correlate the grown crystal properties with the growth conditions.

Simulation of warpage induced by non-isothermal crystallization of co-polypropylene during the SLS process

NASA Astrophysics Data System (ADS)

Amado, Antonio; Schmid, Manfred; Wegener, Konrad

2015-05-01

Polymer processing using Additive Manufacturing Technologies (AM) has experienced a remarkable growth during the last years. The application range has been expanding rapidly, particularly driven by the so-called consumer 3D printing sector. However, for applications demanding higher requirements in terms of thermo-mechanical properties and dimensional accuracy the long established AM technologies such as Selective Laser Sintering (SLS) do not depict a comparable development. The higher process complexity hinders the number of materials that can be currently processed and the interactions between the different physics involved have not been fully investigated. In case of thermoplastic materials the crystallization kinetics coupled to the shrinkage strain development strongly influences the stability of the process. Thus, the current investigation presents a transient Finite Element simulation of the warpage effect during the SLS process of a new developed polyolefin (co-polypropylene) coupling the thermal, mechanical and phase change equations that control the process. A thermal characterization of the material was performed by means of DSC, integrating the Nakamura model with the classical Hoffmann-Lauritzen theory. The viscoelastic behavior was measured using a plate-plate rheometer at different degrees of undercooling and a phase change-temperature superposition principle was implemented. Additionally, for validation porpoises the warpage development of the first sintered layers was captured employing an optical device. The simulation results depict a good agreement with experimental measurements of deformation, describing the high sensitivity of the geometrical accuracy of the sintered parts related to the processing conditions.

Kinetic D/H fractionation during hydration and dehydration of silicate glasses, melts and nominally anhydrous minerals

NASA Astrophysics Data System (ADS)

Roskosz, M.; Deloule, E.; Ingrin, J.; Depecker, C.; Laporte, D.; Merkel, S.; Remusat, L.; Leroux, H.

2018-07-01

The distribution of hydrogen isotopes during diffusion-driven aqueous processes in silicate glasses, melts and crystals was investigated. Hydration/dehydration experiments were performed on silica glasses at 1000 °C and 1 bar total pressure. Dehydration triggered by decompression-driven bubble nucleation and growth was performed on rhyolitic melts at 800 °C and a few hundred MPa. Hydrogen extraction from a nominally anhydrous mineral (grossular) single crystal was carried out at 800 °C and ambient pressure. After these three series of experiments, pronounced water (sensu lato) concentration profiles were observed in all recovered samples. In the grossular single-crystal, a large spatial variation in H isotopes (δD variation > 550‰) was measured across the sample. This isotopic distribution correlates with the hydrogen extraction profile. The fit to the data suggests an extreme decoupling between hydrogen and deuterium diffusion coefficients (DH and DD respectively), akin to the decoupling expected in a dilute ideal gas (DH/DD ≈ 1.41). Conversely, no measurable spatially- and time-resolved isotopic variations were measured in silicate glasses and melts. This contrasted behavior of hydrogen isotopes likely stands in the different water speciation and solution mechanisms in the three different materials. Glasses and melts contain essentially hydroxyl and molecular water groups but the mobile species is molecular water in both cases. Protonated defects make up most of the water accommodated in grossular and other nominally anhydrous minerals (NAM). These defects are also the mobile species that diffuse against polarons. These results are crucial to accurately model the degassing behavior of terrestrial and lunar magmas and to derive the initial D/H of water trapped in fluid inclusions commonly analyzed in mantle NAMs, which suffered complex geological histories.

Discovery of a meta-stable Al–Sm phase with unknown stoichiometry using a genetic algorithm

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

Zhang, Feng; McBrearty, Ian; Ott, R T

Unknown crystalline phases observed during the devitrification process of glassy metal alloys significantly limit our ability to understand and control phase selection in these systems driven far from equilibrium. Here, we report a new meta-stable Al5Sm phase identified by simultaneously searching Al-rich compositions of the Al-Sm system, using an efficient genetic algorithm. The excellent match between calculated and experimental X-ray diffraction patterns confirms that this new phase appeared in the crystallization of melt-spun Al90Sm10 alloys. Published by Elsevier Ltd. on behalf of Acta Materialia Inc.

Space Age Training

NASA Technical Reports Server (NTRS)

1996-01-01

Teledyne Brown developed a computer-based interactive multimedia training system for use with the Crystal Growth Furnace in the U.S. Microgravity Laboratory-2 mission on the Space Shuttle. Teledyne Brown commercialized the system and customized it for PPG Industries Aircraft Products. The system challenges learners with role-playing scenarios and software-driven simulations engaging all the senses using text, video, animation, voice, sounds and music. The transfer of this technology to commercial industrial process training has resulted in significant improvements in effectiveness, standardization, and quality control, as well as cost reductions over the usual classroom and on-the- job training approaches.

Magma heating by decompression-driven crystallization beneath andesite volcanoes.

PubMed

Blundy, Jon; Cashman, Kathy; Humphreys, Madeleine

2006-09-07

Explosive volcanic eruptions are driven by exsolution of H2O-rich vapour from silicic magma. Eruption dynamics involve a complex interplay between nucleation and growth of vapour bubbles and crystallization, generating highly nonlinear variation in the physical properties of magma as it ascends beneath a volcano. This makes explosive volcanism difficult to model and, ultimately, to predict. A key unknown is the temperature variation in magma rising through the sub-volcanic system, as it loses gas and crystallizes en route. Thermodynamic modelling of magma that degasses, but does not crystallize, indicates that both cooling and heating are possible. Hitherto it has not been possible to evaluate such alternatives because of the difficulty of tracking temperature variations in moving magma several kilometres below the surface. Here we extend recent work on glassy melt inclusions trapped in plagioclase crystals to develop a method for tracking pressure-temperature-crystallinity paths in magma beneath two active andesite volcanoes. We use dissolved H2O in melt inclusions to constrain the pressure of H2O at the time an inclusion became sealed, incompatible trace element concentrations to calculate the corresponding magma crystallinity and plagioclase-melt geothermometry to determine the temperature. These data are allied to ilmenite-magnetite geothermometry to show that the temperature of ascending magma increases by up to 100 degrees C, owing to the release of latent heat of crystallization. This heating can account for several common textural features of andesitic magmas, which might otherwise be erroneously attributed to pre-eruptive magma mixing.

Supercritical-assistant liquid crystal template approach to synthesize mesoporous titania/multiwalled carbon nanotube composites with high visible-light driven photocatalytic performance

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

Liu, Chen; Li, Youji, E-mail: bcclyj@163.com; Xu, Peng

2014-12-15

Graphical abstract: We investigate the influence of mesoporous titania content upon the visible-light driven photocatalytic performance of MPT/MWCNTs in phenol degradation. - Highlights: • MPT/MWCNTs were fabricated by liquid-crystal template in supercritical CO{sub 2}. • MPT/MWCNTs show high visible-light driven photoactivity for phenol degradation. • MPT/MWCNTs also show high reusable photoactivity under visible irradiation. • MPT content can control visible-light driven photoactivity of MPT/MWCNTs. • MPT is not easily broken away from from MPT/MWCNT composites. - Abstract: Mesoporous titania (MPT) was deposited onto multiwalled carbon nanotubes (MWCNTs) by deposition of titanium sol containing liquid-crystal template with assistant of supercritical CO{submore » 2}. The products were characterized with various analytical techniques to determine their structural, morphological, optical absorption and photocatalytic properties. The results indicate that in photocatalytic degradation of phenol under visible light, the mixtures or composites of MPT and MWCNT show the high efficiency because of synergies between absorbing visible light, releasing electrons and facilitating transfer of charge carriers of MWCNTs and providing activated centers of MPT. Because of the mutual constraint between MPT and MWCNTs on the photocatalytic efficiency, the optimal loading of MPT in MPT/MWCNT-3 for phenol degradation is 48%. Because the intimate contact between MWCNTs and MPT is more beneficial to electron transformation, photoactivity of mixture is lower than that of composites with high reusable performance. The optimum conditions of phenol degradation were obtained.« less

The crystal structure of the regulatory domain of the human sodium-driven chloride/bicarbonate exchanger.

PubMed

Alvadia, Carolina M; Sommer, Theis; Bjerregaard-Andersen, Kaare; Damkier, Helle Hasager; Montrasio, Michele; Aalkjaer, Christian; Morth, J Preben

2017-09-21

The sodium-driven chloride/bicarbonate exchanger (NDCBE) is essential for maintaining homeostatic pH in neurons. The crystal structure at 2.8 Å resolution of the regulatory N-terminal domain of human NDCBE represents the first crystal structure of an electroneutral sodium-bicarbonate cotransporter. The crystal structure forms an equivalent dimeric interface as observed for the cytoplasmic domain of Band 3, and thus establishes that the consensus motif VTVLP is the key minimal dimerization motif. The VTVLP motif is highly conserved and likely to be the physiologically relevant interface for all other members of the SLC4 family. A novel conserved Zn 2+ -binding motif present in the N-terminal domain of NDCBE is identified and characterized in vitro. Cellular studies confirm the Zn 2+ dependent transport of two electroneutral bicarbonate transporters, NCBE and NBCn1. The Zn 2+ site is mapped to a cluster of histidines close to the conserved ETARWLKFEE motif and likely plays a role in the regulation of this important motif. The combined structural and bioinformatics analysis provides a model that predicts with additional confidence the physiologically relevant interface between the cytoplasmic domain and the transmembrane domain.

Rigorous analysis of an electric-field-driven liquid crystal lens for 3D displays

NASA Astrophysics Data System (ADS)

Kim, Bong-Sik; Lee, Seung-Chul; Park, Woo-Sang

2014-08-01

We numerically analyzed the optical performance of an electric field driven liquid crystal (ELC) lens adopted for 3-dimensional liquid crystal displays (3D-LCDs) through rigorous ray tracing. For the calculation, we first obtain the director distribution profile of the liquid crystals by using the Erickson-Leslie motional equation; then, we calculate the transmission of light through the ELC lens by using the extended Jones matrix method. The simulation was carried out for a 9view 3D-LCD with a diagonal of 17.1 inches, where the ELC lens was slanted to achieve natural stereoscopic images. The results show that each view exists separately according to the viewing position at an optimum viewing distance of 80 cm. In addition, our simulation results provide a quantitative explanation for the ghost or blurred images between views observed from a 3D-LCD with an ELC lens. The numerical simulations are also shown to be in good agreement with the experimental results. The present simulation method is expected to provide optimum design conditions for obtaining natural 3D images by rigorously analyzing the optical functionalities of an ELC lens.

Serial crystallography captures enzyme catalysis in copper nitrite reductase at atomic resolution from one crystal.

PubMed

Horrell, Sam; Antonyuk, Svetlana V; Eady, Robert R; Hasnain, S Samar; Hough, Michael A; Strange, Richard W

2016-07-01

Relating individual protein crystal structures to an enzyme mechanism remains a major and challenging goal for structural biology. Serial crystallography using multiple crystals has recently been reported in both synchrotron-radiation and X-ray free-electron laser experiments. In this work, serial crystallography was used to obtain multiple structures serially from one crystal (MSOX) to study in crystallo enzyme catalysis. Rapid, shutterless X-ray detector technology on a synchrotron MX beamline was exploited to perform low-dose serial crystallography on a single copper nitrite reductase crystal, which survived long enough for 45 consecutive 100 K X-ray structures to be collected at 1.07-1.62 Å resolution, all sampled from the same crystal volume. This serial crystallography approach revealed the gradual conversion of the substrate bound at the catalytic type 2 Cu centre from nitrite to nitric oxide, following reduction of the type 1 Cu electron-transfer centre by X-ray-generated solvated electrons. Significant, well defined structural rearrangements in the active site are evident in the series as the enzyme moves through its catalytic cycle, namely nitrite reduction, which is a vital step in the global denitrification process. It is proposed that such a serial crystallography approach is widely applicable for studying any redox or electron-driven enzyme reactions from a single protein crystal. It can provide a 'catalytic reaction movie' highlighting the structural changes that occur during enzyme catalysis. The anticipated developments in the automation of data analysis and modelling are likely to allow seamless and near-real-time analysis of such data on-site at some of the powerful synchrotron crystallographic beamlines.

Low-gravity fluid flows

NASA Technical Reports Server (NTRS)

Ostrach, S.

1982-01-01

The behavior of fluids in micro-gravity conditions is examined, with particular regard to applications in the growth of single crystals. The effects of gravity on fluid behavior are reviewed, and the advent of Shuttle flights are noted to offer extended time for experimentation and processing in a null-gravity environment, with accelerations resulting solely from maneuvering rockets. Buoyancy driven flows are considered for the cases stable-, unstable-, and mixed-mode convection. Further discussion is presented on g-jitter, surface-tension gradient, thermoacoustic, and phase-change convection. All the flows are present in both gravity and null gravity conditions, although the effects of buoyancy and g-jitter convection usually overshadow the other effects while in a gravity field. Further work is recommended on critical-state and sedimentation processes in microgravity conditions.

Anderson localization and Mott insulator phase in the time domain

PubMed Central

Sacha, Krzysztof

2015-01-01

Particles in space periodic potentials constitute standard models for investigation of crystalline phenomena in solid state physics. Time periodicity of periodically driven systems is a close analogue of space periodicity of solid state crystals. There is an intriguing question if solid state phenomena can be observed in the time domain. Here we show that wave-packets localized on resonant classical trajectories of periodically driven systems are ideal elements to realize Anderson localization or Mott insulator phase in the time domain. Uniform superpositions of the wave-packets form stationary states of a periodically driven particle. However, an additional perturbation that fluctuates in time results in disorder in time and Anderson localization effects emerge. Switching to many-particle systems we observe that depending on how strong particle interactions are, stationary states can be Bose-Einstein condensates or single Fock states where definite numbers of particles occupy the periodically evolving wave-packets. Our study shows that non-trivial crystal-like phenomena can be observed in the time domain. PMID:26074169

Collective Transport Properties of Driven Skyrmions with Random Disorder

NASA Astrophysics Data System (ADS)

Reichhardt, C.; Ray, D.; Reichhardt, C. J. Olson

2015-05-01

We use particle-based simulations to examine the static and driven collective phases of Skyrmions interacting with random quenched disorder. We show that nondissipative effects due to the Magnus term reduce the depinning threshold and strongly affect the Skyrmion motion and the nature of the dynamic phases. The quenched disorder causes the Hall angle to become drive dependent in the moving Skyrmion phase, while different flow regimes produce distinct signatures in the transport curves. For weak disorder, the Skyrmions form a pinned crystal and depin elastically, while for strong disorder the system forms a pinned amorphous state that depins plastically. At high drives the Skyrmions can dynamically reorder into a moving crystal, with the onset of reordering determined by the strength of the Magnus term.

Multiple reinjections and crystal mush compaction in the solidification evolution of the Karaj Dam basement Sill, Northern Iran

NASA Astrophysics Data System (ADS)

Maghdour-Mashhour, Reza; Shabani, Amir Ali Tabbakh

2017-07-01

The Karaj Dam basement Sill is a 460 m-thick saucer shaped sill, situated in the Alborz Magmatic Belt, Northern Iran. The results of geochemical, textural and field relations reveal characteristics of a sill with a well-developed S-shaped compositional profile which could be subdivided into distinct parts and suggest that the sill was repeatedly split and reinjected with fresh magma in the upper half of the previous emplacements (over- to partly intra-accretion). Whole rock and mineral compositional profiles have recorded five to six discrete injections of magma, each of which individually show an upward increase in terms of primitivity which represents partial crystallization in feeder conduits. The first three small successive pulses of magma, emplaced in the basal 150 m of the floor sequence, were followed by voluminous fourth and fifth pulses in the upper portion of the sill. During final two pulses the system acts as a closed system for each independently, and evolves through compositional convection or compaction aided in-situ crystallization. Theoretical models for convection and compaction shows the significance of both processes. Considering the final porosity of 0.1 < φ < 0.45, calculated convective velocities (0.2 < Vc < 227 m/year) are higher than the calculated crystal accumulation rate of the basal 150 m and upper portion of the sill (Va = 1 and 0.1 m/year), when the crystal mush varies between 1 to 0.01 m with the liquid viscosity ranging from 85 to 15 Pa·s. Our calculations further indicate that compaction driven velocity of liquid expulsion (ω - w) hardly exceeds the Va in the basal 150 m of the floor sequence. The highest velocity is reached (ω - w = 1 m/year) only if the crystal mush thickness is no less than 240 m with the porosity of 0.6 and the liquid viscosity of no more than 15 Pa·s. On the other hand, compaction is highly effective in the upper portion of the sill. Transfer of residual liquid from the compacting lower solidification front to the dilating upper solidification front resulted in characteristic chemical and mineralogical effects, such as the depletion of the lower half of the sill and the enrichment of the sandwich zone in incompatible elements and modal granophyre. Crystallization of the fourth pulse of magma produced a peak in incompatible clement concentrations at a sandwich horizon located at the 410 m level, where the floor and roof of the sill appeared to converge at this stage. Subsequent to the time of this enriched zone crystallizing, the fifth pulse of magma was emplaced near this level and inflated the chamber vertically for 200 m. Cumulus material containing interstitial melt and subsequent buoyancy driven upward transport of interstitial melt in this pulse concentrated incompatible elements at 47 m below the main peak, at the stratigraphic height of 360-370 m. The boundaries between the successive pulses were cryptic and represent a gradational contact in terms of grain size, chemical composition and crystallization sequence. This implies a short time interval between the emplacements of the magma. This sill is comparable with Antarctica Beacon Sill and Hudson River Palisades Sill, and the recognition of evidence for reinjection and compaction in these macroscopically uniform sills, as well as the Karaj Dam basement Sill, suggests that these processes may be common in the construction of sills with a thickness of more than 100 m.

An in-plane nano-mechanics approach to achieve reversible resonance control of photonic crystal nanocavities.

PubMed

Chew, Xiongyeu; Zhou, Guangya; Yu, Hongbin; Chau, Fook Siong; Deng, Jie; Loke, Yee Chong; Tang, Xiaosong

2010-10-11

Control of photonic crystal resonances in conjunction with large spectral shifting is critical in achieving reconfigurable photonic crystal devices. We propose a simple approach to achieve nano-mechanical control of photonic crystal resonances within a compact integrated on-chip approach. Three different tip designs utilizing an in-plane nano-mechanical tuning approach are shown to achieve reversible and low-loss resonance control on a one-dimensional photonic crystal nanocavity. The proposed nano-mechanical approach driven by a sub-micron micro-electromechanical system integrated on low loss suspended feeding nanowire waveguide, achieved relatively large resonance spectral shifts of up to 18 nm at a driving voltage of 25 V. Such designs may potentially be used as tunable optical filters or switches.

Nonlinear polarization rotation and orthogonal polarization generation experienced in a single-beam configuration

NASA Astrophysics Data System (ADS)

Minkovski, N.; Petrov, G. I.; Saltiel, S. M.; Albert, O.; Etchepare, J.

2004-09-01

Nonlinear polarization rotation and generation of a polarization component orthogonal to the input beam were observed along fourfold axes of YVO4 and BaF2 crystals. We demonstrate experimentally that in both crystals the angle of rotation is proportional, at low intensities, to the square of the product of the input intensity and the crystal length and is the result of simultaneous action of two third-order processes. This type of nonlinear polarization rotation is driven by the real part of the cubic susceptibility. The recorded energy exchange between the two orthogonal components can exceed 10%. It is to our knowledge the highest energy-conversion efficiency achieved in a single beam nonresonant χ(3) interaction. A simple theoretical model is elaborated to describe the dependence of nonlinear polarization rotation and orthogonal polarization generation on the intensity of the input beam at both low- and high-intensity levels. It reveals the potential contributions from the real and the imaginary parts of the susceptibility tensor. Moreover, this kind of measurement is designed to permit the determination of the magnitude and the sign of the anisotropy of the real part of third-order nonlinearity in crystals with cubic or tetragonal symmetry on the basis of polarization-rotation measurements. The χxxxx(3) component of the third-order susceptibility tensor and its anisotropy sign and amplitude value for BaF2 and YVO4 crystals are estimated and discussed.

In-situ measurement of sulfur isotopic ratios in zoned apatite crystals via SIMS: a new tool for interpreting dynamic sulfur behavior in magmas

NASA Astrophysics Data System (ADS)

Economos, R. C.; Boehnke, P.; Burgisser, A.

2017-12-01

Sulfur is an important element in igneous systems due to its impact on magma redox, its role in the formation of economically valuable ore deposits, and the influence of catastrophic volcanogenic sulfur degassing on global climate. The mobility and geochemical behavior of sulfur in magmas is complex due to its multi-valent (from S2- to S6+) and multi-phase (solid, immiscible liquid, gaseous, dissolved ions) nature. Sulfur behavior is closely linked with the evolution of oxygen fugacity (fO2) in magmas; the record of fO2 evolution is often difficult to extract from rock records, particularly for intrusive systems that undergo cyclical magmatic processes and crystallize to the solidus. We apply a novel method of measuring S isotopic ratios via secondary ion mass spectrometry (SIMS) in zoned apatite crystals that we interpret as a record of open-system magmatic processes. We analyzed the S concentration and isotopic variations preserved in multiple apatite crystals from single hand specimens from the Cadiz Valley Batholith, CA via electron microprobe and ion microprobe at UCLA. A single, isotopically homogeneous crystal of Durango apatite was characterized for absolute isotopic ratio for this study (UCLA-D1). Isotopic variations in single apatite crystals ranged from 0 to 3.8‰ δ34S and total variation within a single hand sample was 6.1‰ δ34S. High S concentration cores yielded high isotopic ratios while low S concentration rims yielded low isotopic ratios. We favor an explanation of a combination of magma mixing and open-system, ascent-driven degassing under moderately reduced conditions: fO2 at or below NNO +1, although the synchronous crystallization of apatite and anhydrite is also a viable scenario. These findings have implications for the coupled S and fO2 evolution of granitic plutons and suggest that in-situ apatite S isotopic measurements could be a powerful new tool for evaluating redox and S systematics in magmatic systems.

Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Brebrick, R. F.; Dudley, M.; Ramachandran, N.; Curreri, Peter A. (Technical Monitor)

2002-01-01

The objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the crystals grown by vapor transport as results of buoyance-driven convection and growth interface fluctuations caused by irregular fluid-flows. ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, were grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals were characterized extensively to correlate the grown crystal properties with the growth conditions. The following are the research progress in the past two years. In-situ monitoring of partial pressure by optical absorption technique and visual observation of the growing crystal were performed during vapor growth of ZnSe. Low-temperature photoluminescence (PL) spectra and glow discharge mass spectroscopy (GDMS) were measured on ZnSe starting materials provided by various vendors and on bulk crystals grown from these starting materials by physical vapor transport (PVT) to study the effects of purification and contamination during crystal growth process. Optical characterization was performed on wafers sliced from the grown crystals of ZnSe, ZnTe and ZnSe(1-x),Te(x), (0

The role of superheating in the formation of Glass Mountain obsidians (Long Valley, CA) inferred through crystallization of sanidine

NASA Astrophysics Data System (ADS)

Waters, Laura E.; Andrews, Benjamin J.

2016-10-01

The Glass Mountain obsidians (Long Valley, CA) are crystal poor (<8 vol%) and highly evolved (high SiO2, low Sr), and therefore, their formation required extremely efficient separation of melts from a crystal-rich source. A petrologic and experimental investigation of the mineral phases in Glass Mountain lavas identifies conditions under which phenocrysts grew and the driving mechanism for crystallization, which places constraints on the possible processes that generated the obsidians. The obsidian in this study (GM-11) is saturated in nine phases (sanidine + quartz + plagioclase + titanomagnetite + ilmenite + zircon + apatite + allanite + biotite), and results of high-resolution SEM compositional mapping and electron microprobe analysis reveal that individual sanidine crystals are normally zoned and span a range of compositions (Or40-78). Sanidines have a "granophyric" texture, characterized by intergrowths of quartz and sanidine. Mineral phases in the natural sample are compared to H2O-saturated phase equilibrium experiments conducted in cold-seal pressure vessels, over a range of conditions (700-850 °C; 75-225 MPa), and all are found to be plausible phenocrysts. Comparison of sanidine compositions from the natural sample with those grown in phase equilibrium experiments demonstrates that sanidine in the natural sample occurs in a reduced abundance. Further comparison with phase equilibrium experiments suggests that sanidine compositions track progressive loss of dissolved melt water (±cooling), suggesting that crystallization in the natural obsidian was driven predominantly by degassing resulting from decompression. It is paradoxical that an effusively (slowly) erupted lava should contain multiple phenocryst phases, including sanidine crystals that span a range of compositions with granophyric textures, and yet remain so crystal poor. To resolve this paradox, it is necessary that the solidification mechanism (degassing or cooling) that produced the sanidine crystals (and other mineral phases) must have an associated kinetic effect(s) that efficiently hinders crystal nucleation and growth. Decompression experiments conducted in this study and from the literature collectively demonstrate that the simplest way to inhibit nucleation during degassing-induced crystallization is to initiate degassing ± cooling from superliquidus conditions, and therefore, the Glass Mountain obsidians were superheated prior to crystallization.

Time and flow-direction responses of shear-styress-sensitive liquid crystal coatings

NASA Technical Reports Server (NTRS)

Reda, Daniel C.; Muraqtore, J. J.; Heinick, James T.

1994-01-01

Time and flow-direction responses of shear-stress liquid crystal coatings were exploresd experimentally. For the time-response experiments, coatings were exposed to transient, compressible flows created during the startup and off-design operation of an injector-driven supersonic wind tunnel. Flow transients were visualized with a focusing schlieren system and recorded with a 100 frame/s color video camera.

Compression-Driven Enhancement of Electronic Correlations in Simple Alkali Metals

NASA Astrophysics Data System (ADS)

Fabbris, Gilberto; Lim, Jinhyuk; Veiga, Larissa; Haskel, Daniel; Schilling, James

2015-03-01

Alkali metals are the best realization of the nearly free electron model. This scenario appears to change dramatically as the alkalis are subjected to extreme pressure, leading to unexpected properties such as the departure from metallic behavior in Li and Na, and the occurrence of remarkable low-symmetry crystal structures in all alkalis. Although the mechanism behind these phase transitions is currently under debate, these are believed to be electronically driven. In this study the high-pressure electronic and structural ground state of Rb and Cs was investigated through low temperature XANES and XRD measurements combined with ab initio calculations. The results indicate that the pressure-induced localization of the conduction band triggers a Peierls-like mechanism, inducing the low symmetry phases. This localization process is evident by the pressure-driven increase in the number of d electrons, which takes place through strong spd hybridization. These experimental results indicate that compression turns the heavy alkali metals into strongly correlated electron systems. Work at Argonne was supported by DOE No. DE-AC02-06CH11357. Research at Washington University was supported by NSF DMR-1104742 and CDAC/DOE/NNSA DE-FC52-08NA28554.

A synergistic approach to protein crystallization: Combination of a fixed-arm carrier with surface entropy reduction

PubMed Central

Moon, Andrea F; Mueller, Geoffrey A; Zhong, Xuejun; Pedersen, Lars C

2010-01-01

Protein crystallographers are often confronted with recalcitrant proteins not readily crystallizable, or which crystallize in problematic forms. A variety of techniques have been used to surmount such obstacles: crystallization using carrier proteins or antibody complexes, chemical modification, surface entropy reduction, proteolytic digestion, and additive screening. Here we present a synergistic approach for successful crystallization of proteins that do not form diffraction quality crystals using conventional methods. This approach combines favorable aspects of carrier-driven crystallization with surface entropy reduction. We have generated a series of maltose binding protein (MBP) fusion constructs containing different surface mutations designed to reduce surface entropy and encourage crystal lattice formation. The MBP advantageously increases protein expression and solubility, and provides a streamlined purification protocol. Using this technique, we have successfully solved the structures of three unrelated proteins that were previously unattainable. This crystallization technique represents a valuable rescue strategy for protein structure solution when conventional methods fail. PMID:20196072

Update on the NASA Glenn Propulsion Systems Lab Ice Crystal Cloud Characterization (2015, 2016)

NASA Technical Reports Server (NTRS)

Van Zante, Judith; Bencic, Timothy; Ratvasky, Thomas

2016-01-01

NASA Glenn's Propulsion Systems Lab, an altitude engine test facility, was outfitted with a spray system to generate ice crystals in 2011. Turbine engines and driven rigs can experience ice crystal icing at flight altitudes, temperatures and Mach numbers. To support these tests, four ice crystal characterizations have been conducted in two different facility configurations. In addition, super-cooled liquid and mixed phase clouds have also been generated. This paper represents a work in progress. It will describe some of the 11-parameter calibration space, and how those parameters interact with each other, the instrumentation used to characterize the cloud and present a sample of the cloud characterization results.

Long-Range Pre-Thermal Time Crystals

NASA Astrophysics Data System (ADS)

Machado, Francisco; Else, Dominic V.; Nayak, Chetan; Yao, Norman

Driven quantum systems have recently enabled the realization of a discrete time crystal - an intrinsically out-of-equilibrium phase of matter that spontaneously breaks time translation symmetry. One strategy to prevent the drive-induced, runaway heating of the time crystal phase is the presence of strong disorder leading to many-body localization. A simpler disorder-less approach is to work in the pre-thermal regime where time crystalline order can persist to long times, before ultimately being destroyed by thermalization. In this talk, we will consider the interplay between long-range interactions, dimensionality, and pre-thermal time-translation symmetry breaking. As an example, we will consider the phase diagram of a 1D long-range pre-thermal time crystal.

Picosecond Electric-Field-Induced Threshold Switching in Phase-Change Materials.

PubMed

Zalden, Peter; Shu, Michael J; Chen, Frank; Wu, Xiaoxi; Zhu, Yi; Wen, Haidan; Johnston, Scott; Shen, Zhi-Xun; Landreman, Patrick; Brongersma, Mark; Fong, Scott W; Wong, H-S Philip; Sher, Meng-Ju; Jost, Peter; Kaes, Matthias; Salinga, Martin; von Hoegen, Alexander; Wuttig, Matthias; Lindenberg, Aaron M

2016-08-05

Many chalcogenide glasses undergo a breakdown in electronic resistance above a critical field strength. Known as threshold switching, this mechanism enables field-induced crystallization in emerging phase-change memory. Purely electronic as well as crystal nucleation assisted models have been employed to explain the electronic breakdown. Here, picosecond electric pulses are used to excite amorphous Ag_{4}In_{3}Sb_{67}Te_{26}. Field-dependent reversible changes in conductivity and pulse-driven crystallization are observed. The present results show that threshold switching can take place within the electric pulse on subpicosecond time scales-faster than crystals can nucleate. This supports purely electronic models of threshold switching and reveals potential applications as an ultrafast electronic switch.

Update on the NASA Glenn Propulsion Systems Lab Ice Crystal Cloud Characterization (2015)

NASA Technical Reports Server (NTRS)

Van Zante, Judith F.; Bencic, Timothy J.; Ratvasky, Thomas P.

2016-01-01

NASA Glenn's Propulsion Systems Lab (PSL), an altitude engine test facility, was outfitted with a spray system to generate ice crystals. The first ice crystal characterization test occurred in 2012. At PSL, turbine engines and driven rigs can experience ice crystal icing at flight altitudes, temperatures and Mach numbers. To support these tests, four ice crystal characterizations have been conducted in two different facility configurations. In addition, super-cooled liquid and mixed phase clouds have also been generated. This paper will discuss the recent learning from the previous two calibrations. It will describe some of the 12-parameter calibration space, and how those parameters interact with each other, the instrumentation used to characterize the cloud and present a sample of the cloud characterization results.

Picosecond electric-field-induced threshold switching in phase-change materials [THz-induced threshold switching and crystallization of phase-change materials

DOE PAGES

Zalden, Peter; Shu, Michael J.; Chen, Frank; ...

2016-08-05

Many chalcogenide glasses undergo a breakdown in electronic resistance above a critical field strength. Known as threshold switching, this mechanism enables field-induced crystallization in emerging phase-change memory. Purely electronic as well as crystal nucleation assisted models have been employed to explain the electronic breakdown. Here, picosecond electric pulses are used to excite amorphous Ag 4In 3Sb 67Te 26. Field-dependent reversible changes in conductivity and pulse-driven crystallization are observed. The present results show that threshold switching can take place within the electric pulse on subpicosecond time scales—faster than crystals can nucleate. As a result, this supports purely electronic models of thresholdmore » switching and reveals potential applications as an ultrafast electronic switch.« less

Enzyme-accelerated and structure-guided crystallization of calcium carbonate: role of the carbonic anhydrase in the homologous system.

PubMed

Müller, Werner E G; Schlossmacher, Ute; Schröder, Heinz C; Lieberwirth, Ingo; Glasser, Gunnar; Korzhev, Michael; Neufurth, Meik; Wang, Xiaohong

2014-01-01

The calcareous spicules from sponges, e.g. from Sycon raphanus, are composed of almost pure calcium carbonate. In order to elucidate the formation of those structural skeletal elements, the function of the enzyme carbonic anhydrase (CA), isolated from this species, during the in vitro calcium carbonate-based spicule formation, was investigated. It is shown that the recombinant sponge CA substantially accelerates calcium carbonate formation in the in vitro diffusion assay. A stoichiometric calculation revealed that the turnover rate of the sponge CA during the calcification process amounts to 25 CO2s(-1) × molecule CA(-1). During this enzymatically driven process, initially pat-like particles are formed that are subsequently transformed to rhomboid/rhombohedroid crystals with a dimension of ~50 μm. The CA-catalyzed particles are smaller than those which are formed in the absence of the enzyme. The Martens hardness of the particles formed is ~4 GPa, a value which had been determined for other biogenic calcites. This conclusion is corroborated by energy-dispersive X-ray spectroscopy, which revealed that the particles synthesized are composed predominantly of the elements calcium, oxygen and carbon. Surprising was the finding, obtained by light and scanning electron microscopy, that the newly formed calcitic crystals associate with the calcareous spicules from S. raphanus in a highly ordered manner; the calcitic crystals almost perfectly arrange in an array orientation along the two opposing planes of the spicules, leaving the other two plane arrays uncovered. It is concluded that the CA is a key enzyme controlling the calcium carbonate biomineralization process, which directs the newly formed particles to existing calcareous spicular structures. It is expected that with the given tools new bioinspired materials can be fabricated. Copyright © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Investigation of the Crystal Growth of Dielectric Materials by the Bridgman Technique Using Vibrational Control

NASA Technical Reports Server (NTRS)

Feigelson, Robert S.; Zharikov, Evgenii

2002-01-01

The principal goal of this ground-based program, which started on February 1, 1998 and concluded on April 30, 2002, was to investigate the influence of low frequency vibrations on the fluid flow and quality of dielectric oxide crystals grown by the vertical Bridgman method. This experimental program was a collaborative effort between Stanford University and the General Physics Institute of the Russian Academy of Sciences in Moscow, and included a strong emphasis on both physical modeling and the growth of some technologically important materials. Additionally it was carried out initially in collaboration with the theoretical and numerical investigations of A.Fedoseyev and I.Alexander (ongoing in another NASA sponsored program). This latter program involved a study of vibro-convective buoyancy-driven flows in cylindrical configurations with the expectation of being able to use vibrational flows to control buoyancy driven fluid transport to off-set the effect of "g-jitter" during microgravity Bridgman crystal growth. These two programs taken together, were designed to lead to a new parametric control variable which can be used to either suppress or control convection, and thereby heat and mass transport during Bridgman crystal growth. It was expected to be effective in either a terrestrial or space environment.

Volatile behavior and trace metal transport in the magmatic-geothermal system at Pūtauaki (Mt. Edgecumbe), New Zealand

NASA Astrophysics Data System (ADS)

Norling, B.; Rowe, M. C.; Chambefort, I.; Tepley, F. J.; Morrow, S.

2016-05-01

The present-day hydrothermal system beneath the Kawerau Geothermal Field, in the Taupo Volcanic Zone, New Zealand, is likely heated from the Pūtauaki (Mt. Edgecumbe) magma system. The aim of this work, as an analog for present day processes, is to identify whether or not earlier erupted Pūtauaki magmas show evidence for volatile exsolution. This may have led to the transfer of volatile components from the magmatic to hydrothermal systems. To accomplish this, minerals and melt inclusions from volcanic products were analyzed for abundances of volatile and ore-forming elements (S, Cl, Li, Cu, Sn, Mo, W, Sb, As, and Tl). The variations in abundance of these elements were used to assess magma evolution and volatile exsolution or fluxing in the magma system. Melt inclusions suggest the evolution of Pūtauaki andesite-dacite magmas is predominantly driven by crystallization processes resulting in rhyodacite-rhyolite glass compositions (although textural and geochemical evidence still indicate a role for magma mixing). Measured mineral-melt partition coefficients for trace metals of interest indicates that, with the exception of Tl in biotite, analyzed metals are all incompatible in Pūtauaki crystallization products. Excluding Li and Cu, other volatile and ore metals recorded in melt inclusions behave incompatibly, with concentrations increasing during evolution from rhyodacitic to rhyolitic melt compositions. Li and Cu appear to have increased mobility likely resulting from diffusive exchange post-crystallization, and may be related to late volatile fluxing. Although S and Cl concentrations decrease with melt evolution, no mineralogical evidence exists to indicate the exsolution and mobility of ore-forming metals from the magma at the time of crystallization. This observation cannot rule out the potential for post-crystallization volatile exsolution and ore-forming metal mobilization, which may only be recorded as diffusive re-equilibration of more rapidly diffusing elements (e.g., Li and Cu).

Crystallization and Microphase Separation in Chiral Block Copolymers

NASA Astrophysics Data System (ADS)

Ho, Rong-Ming

2012-02-01

Block copolymers composed of chiral entities, denoted as chiral block copolymers (BCP*s), were designed to fabricate helical architectures from self-assembly. A helical phase (denoted H*) was discovered in the self-assembly of poly(styrene)-b-poly(L-lactide) (PS-PLLA) BCPs*. To examine the phase behavior of the PS-PLLA, self-assembled superstructures resulting from the competition between crystallization and microphase separation of the PS-PLLA in solution were examined. A kinetically controlled process by changing non-solvent addition rate was utilized to control the BCP* self-assembly. Single-crystal lozenge lamellae were obtained by the slow self-assembly (i.e., slow non-solvent addition rate) of PS-PLLA whereas amorphous helical ribbon superstructures were obtained from the fast self-assembly (i.e., fast non-solvent addition rate). As a result, the formation of helical architectures from the self-assembly of the PS-PLLA reflects the impact of chirality on microphase separation, but the chiral effect might be overwhelmed by crystallization. Consequently, various crystalline PS-PLLA nanostructures in bulk were obtained by controlling the crystallization temperature of PLLA (Tc,PLLA) at which crystalline helices and crystalline cylinders occur while Tc,PLLA=x Tg,PS, respectively. Anisotropic arrangement of the PLLA crystallites grown within the microdomains was identified. The formation of this exclusive crystalline growth is attributed to the spatial confinement effect for crystallization. While Tc,PLLA=x Tg,PS, the preferential growth may modulate the curvature of microdomains by shifting the molecular chains to access the fast path for crystalline growth due to the increase in chain mobility. As a result, a spring-like behavior of the helical nanostructure can be driven by crystallization so as to dictate the transformation of helices and to result in crystalline cylinders.

Enhancing the brightness of electrically driven single-photon sources using color centers in silicon carbide

NASA Astrophysics Data System (ADS)

Khramtsov, Igor A.; Vyshnevyy, Andrey A.; Fedyanin, Dmitry Yu.

2018-03-01

Practical applications of quantum information technologies exploiting the quantum nature of light require efficient and bright true single-photon sources which operate under ambient conditions. Currently, point defects in the crystal lattice of diamond known as color centers have taken the lead in the race for the most promising quantum system for practical non-classical light sources. This work is focused on a different quantum optoelectronic material, namely a color center in silicon carbide, and reveals the physics behind the process of single-photon emission from color centers in SiC under electrical pumping. We show that color centers in silicon carbide can be far superior to any other quantum light emitter under electrical control at room temperature. Using a comprehensive theoretical approach and rigorous numerical simulations, we demonstrate that at room temperature, the photon emission rate from a p-i-n silicon carbide single-photon emitting diode can exceed 5 Gcounts/s, which is higher than what can be achieved with electrically driven color centers in diamond or epitaxial quantum dots. These findings lay the foundation for the development of practical photonic quantum devices which can be produced in a well-developed CMOS compatible process flow.

Photoelectrochemical fabrication of spectroscopic diffraction gratings, phase 2

NASA Technical Reports Server (NTRS)

Rauh, R. David; Carrabba, Michael M.; Li, Jianguo; Cartland, Robert F.; Hachey, John P.; Mathew, Sam

1990-01-01

This program was directed toward the production of Echelle diffraction gratings by a light-driven, electrochemical etching technique (photoelectrochemical etching). Etching is carried out in single crystal materials, and the differential rate of etching of the different crystallographic planes used to define the groove profiles. Etching of V-groove profiles was first discovered by us during the first phase of this project, which was initially conceived as a general exploration of photoelectrochemical etching techniques for grating fabrication. This highly controllable V-groove etching process was considered to be of high significance for producing low pitch Echelles, and provided the basis for a more extensive Phase 2 investigation.

Crystal symmetry breaking and vacancies in colloidal lead chalcogenide quantum dots.

PubMed

Bertolotti, Federica; Dirin, Dmitry N; Ibáñez, Maria; Krumeich, Frank; Cervellino, Antonio; Frison, Ruggero; Voznyy, Oleksandr; Sargent, Edward H; Kovalenko, Maksym V; Guagliardi, Antonietta; Masciocchi, Norberto

2016-09-01

Size and shape tunability and low-cost solution processability make colloidal lead chalcogenide quantum dots (QDs) an emerging class of building blocks for innovative photovoltaic, thermoelectric and optoelectronic devices. Lead chalcogenide QDs are known to crystallize in the rock-salt structure, although with very different atomic order and stoichiometry in the core and surface regions; however, there exists no convincing prior identification of how extreme downsizing and surface-induced ligand effects influence structural distortion. Using forefront X-ray scattering techniques and density functional theory calculations, here we have identified that, at sizes below 8 nm, PbS and PbSe QDs undergo a lattice distortion with displacement of the Pb sublattice, driven by ligand-induced tensile strain. The resulting permanent electric dipoles may have implications on the oriented attachment of these QDs. Evidence is found for a Pb-deficient core and, in the as-synthesized QDs, for a rhombic dodecahedral shape with nonpolar {110} facets. On varying the nature of the surface ligands, differences in lattice strains are found.

Crystal symmetry breaking and vacancies in colloidal lead chalcogenide quantum dots

NASA Astrophysics Data System (ADS)

Bertolotti, Federica; Dirin, Dmitry N.; Ibáñez, Maria; Krumeich, Frank; Cervellino, Antonio; Frison, Ruggero; Voznyy, Oleksandr; Sargent, Edward H.; Kovalenko, Maksym V.; Guagliardi, Antonietta; Masciocchi, Norberto

2016-09-01

Size and shape tunability and low-cost solution processability make colloidal lead chalcogenide quantum dots (QDs) an emerging class of building blocks for innovative photovoltaic, thermoelectric and optoelectronic devices. Lead chalcogenide QDs are known to crystallize in the rock-salt structure, although with very different atomic order and stoichiometry in the core and surface regions; however, there exists no convincing prior identification of how extreme downsizing and surface-induced ligand effects influence structural distortion. Using forefront X-ray scattering techniques and density functional theory calculations, here we have identified that, at sizes below 8 nm, PbS and PbSe QDs undergo a lattice distortion with displacement of the Pb sublattice, driven by ligand-induced tensile strain. The resulting permanent electric dipoles may have implications on the oriented attachment of these QDs. Evidence is found for a Pb-deficient core and, in the as-synthesized QDs, for a rhombic dodecahedral shape with nonpolar {110} facets. On varying the nature of the surface ligands, differences in lattice strains are found.

Comparison of Phase Field Crystal and Molecular Dynamics Simulations for a Shrinking Grain

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

Radhakrishnan, Balasubramaniam; Gorti, Sarma B; Nicholson, Don M

2012-01-01

The Phase-Field Crystal (PFC) model represents the atomic density as a continuous function, whose spatial distribution evolves at diffusional, rather than vibrational time scales. PFC provides a tool to study defect interactions at the atomistic level but over longer time scales than in molecular dynamics (MD). We examine the behavior of the PFC model with the goal of relating the PFC parameters to physical parameters of real systems, derived from MD simulations. For this purpose we model the phenomenon of the shrinking of a spherical grain situated in a matrix. By comparing the rate of shrinking of the central grainmore » using MD and PFC we obtain a relationship between PFC and MD time scales for processes driven by grain boundary diffusion. The morphological changes in the central grain including grain shape and grain rotation are also examined in order to assess the accuracy of the PFC in capturing the evolution path predicted by MD.« less

Calcium carbonate as ikaite crystals in Antarctic sea ice

NASA Astrophysics Data System (ADS)

Dieckmann, Gerhard S.; Nehrke, Gernot; Papadimitriou, Stathys; Göttlicher, Jörg; Steininger, Ralph; Kennedy, Hilary; Wolf-Gladrow, Dieter; Thomas, David N.

2008-04-01

We report on the discovery of the mineral ikaite (CaCO3.6H2O) in sea-ice from the Southern Ocean. The precipitation of CaCO3 during the freezing of seawater has previously been predicted from thermodynamic modelling, indirect measurements, and has been documented in artificial sea ice during laboratory experiments but has not been reported for natural sea-ice. It is assumed that CaCO3 formation in sea ice may be important for a sea ice-driven carbon pump in ice-covered oceanic waters. Without direct evidence of CaCO3 precipitation in sea ice, its role in this and other processes has remained speculative. The discovery of CaCO3.6H2O crystals in natural sea ice provides the necessary evidence for the evaluation of previous assumptions and lays the foundation for further studies to help elucidate the role of ikaite in the carbon cycle of the seasonally sea ice-covered regions

Formation of a new archetypal Metal-Organic Framework from a simple monatomic liquid

NASA Astrophysics Data System (ADS)

Metere, Alfredo; Oleynikov, Peter; Dzugutov, Mikhail; O'Keeffe, Michael

2014-12-01

We report a molecular-dynamics simulation of a single-component system of particles interacting via a spherically symmetric potential that is found to form, upon cooling from a liquid state, a low-density porous crystalline phase. Its structure analysis demonstrates that the crystal can be described by a net with a topology that belongs to the class of topologies characteristic of the Metal-Organic Frameworks (MOFs). The observed net is new, and it is now included in the Reticular Chemistry Structure Resource database. The observation that a net topology characteristic of MOF crystals, which are known to be formed by a coordination-driven self-assembly process, can be reproduced by a thermodynamically stable configuration of a simple single-component system of particles opens a possibility of using these models in studies of MOF nets. It also indicates that structures with MOF topology, as well as other low-density porous crystalline structures can possibly be produced in colloidal systems of spherical particles, with an appropriate tuning of interparticle interaction.

Diffuse Scattering as an Aid to the Understanding of Polymorphism in Pharmaceuticals

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

Welberry, T.R.; Chan, E.J.; Goossens, D.J.

Polymorphism occurs when the same molecular compound can crystallize in more than one distinct crystal structure. Its study is a field of great interest and activity. This is largely driven by its importance in the pharmaceutical industry, but polymorphism is also an issue in the pigments, dyes, and explosives industries. The polymorph formed by a compound generally exerts a strong influence on its solid-state properties. The polymorphic form of a drug molecule may affect the ease of manufacture and processing, shelf life, and most significantly the rate of uptake of the molecule by the human body. They can even varymore » in toxicity; one polymorph may be safe, while a second may be toxic. In this review of recently published work, we show how diffuse scattering experiments coupled with Monte Carlo (MC) computer modeling can aid in the understanding of polymorphism. Examples of the two common pharmaceuticals, benzocaine and aspirin, both of which are bimorphic, at ambient temperatures, are discussed.« less

Diffuse Scattering as an Aid to the Understanding of Polymorphism in Pharmaceuticals

NASA Astrophysics Data System (ADS)

Welberry, T. R.; Chan, E. J.; Goossens, D. J.; Heerdegen, A. P.

2012-05-01

Polymorphism occurs when the same molecular compound can crystallize in more than one distinct crystal structure. Its study is a field of great interest and activity. This is largely driven by its importance in the pharmaceutical industry, but polymorphism is also an issue in the pigments, dyes, and explosives industries. The polymorph formed by a compound generally exerts a strong influence on its solid-state properties. The polymorphic form of a drug molecule may affect the ease of manufacture and processing, shelf life, and most significantly the rate of uptake of the molecule by the human body. They can even vary in toxicity; one polymorph may be safe, while a second may be toxic. In this review of recently published work, we show how diffuse scattering experiments coupled with Monte Carlo (MC) computer modeling can aid in the understanding of polymorphism. Examples of the two common pharmaceuticals, benzocaine and aspirin, both of which are bimorphic, at ambient temperatures, are discussed.

Decades of Data: Extracting Trends from Microgravity Crystallization History

NASA Technical Reports Server (NTRS)

Judge, Russell A.; Snell, Edward H.; Kephart, Richard; vanderWoerd, Mark; Curreri, Peter A. (Technical Monitor)

2002-01-01

The reduced acceleration environment of an orbiting spacecraft has been posited as an ideal environment for biological crystal growth since buoyancy driven convection and sedimentation are greatly reduced. Since the first sounding rocket flight in 1981 many crystallization experiments have flown with some showing improvement and others not. To further explore macromolecule crystal improvement in microgravity we have accumulated data from published reports and reports submitted by individual investigators to NASA, forming a database called BIOSEArCH (Biological Space Experiment Archive of Crystallization History). To date it contains information from 63 missions including, the Space Shuttle program, unmanned satellites, the Russian Space Station MIR and sounding rocket experiments, containing reports for more than 736 macromolecule experiments. While it is not at this point in time a comprehensive record of all flight crystallization experimental results, there is however sufficient information for emerging trends to be identified. These trends will be highlighted.

Understanding the spin-driven polarizations in Bi MO3 (M = 3 d transition metals) multiferroics

NASA Astrophysics Data System (ADS)

Kc, Santosh; Lee, Jun Hee; Cooper, Valentino R.

Bismuth ferrite (BiFeO3) , a promising multiferroic, stabilizes in a perovskite type rhombohedral crystal structure (space group R3c) at room temperature. Recently, it has been reported that in its ground state it possess a huge spin-driven polarization. To probe the underlying mechanism of this large spin-phonon response, we examine these couplings within other Bi based 3 d transition metal oxides Bi MO3 (M = Ti, V, Cr, Mn, Fe, Co, Ni) using density functional theory. Our results demonstrate that this large spin-driven polarization is a consequence of symmetry breaking due to competition between ferroelectric distortions and anti-ferrodistortive octahedral rotations. Furthermore, we find a strong dependence of these enhanced spin-driven polarizations on the crystal structure; with the rhombohedral phase having the largest spin-induced atomic distortions along [111]. These results give us significant insights into the magneto-electric coupling in these materials which is essential to the magnetic and electric field control of electric polarization and magnetization in multiferroic based devices. Research is supported by the US Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division and the Office of Science Early Career Research Program (V.R.C) and used computational resources at NERSC.

Strong Nonvolatile Magnon-Driven Magnetoelectric Coupling in Single-Crystal Co /[PbMg1/3Nb2/3O3] 0.71[PbTiO3]0.29 Heterostructures

NASA Astrophysics Data System (ADS)

Zhou, Cai; Shen, Lvkang; Liu, Ming; Gao, Cunxu; Jia, Chenglong; Jiang, Changjun

2018-01-01

The ability to manipulate the magnetism on interfacing ferromagnetic and ferroelectric materials via electric fields to achieve an emergent multiferroic response has enormous potential for nanoscale devices with novel functionalities. Herein, a strong electric-field control of the magnetism modulation is reported for a single-crystal Co (14 nm )/(001 )Pb (Mg1/3Nb2/3) 0.7Ti0.3O3 (PMN-PT) heterostructure by fabricating an epitaxial Co layer on a PMN-PT substrate. Electric-field-tuned ferromagnetic resonance exhibits a large resonance field shift, with a 120-Oe difference between that under positive and negative remanent polarizations, which demonstrates nonvolatile electric-field control of the magnetism. Further, considering the complexity of the twofold symmetry magnetic anisotropy, the linear change of the fourfold symmetry magnetic anisotropy, relating to the single-crystal cubic magnetocrystal anisotropy of the Co thin film, is resolved and quantified to exert a magnon-driven, strong direct magnetoelectric effect on the Co /PMN -PT interface. These results are promising for future multiferroic devices.

Few-fJ/bit data transmissions using directly modulated lambda-scale embedded active region photonic-crystal lasers

NASA Astrophysics Data System (ADS)

Takeda, Koji; Sato, Tomonari; Shinya, Akihiko; Nozaki, Kengo; Kobayashi, Wataru; Taniyama, Hideaki; Notomi, Masaya; Hasebe, Koichi; Kakitsuka, Takaaki; Matsuo, Shinji

2013-07-01

A low operating energy is needed for nanocavity lasers designed for on-chip photonic network applications. On-chip nanocavity lasers must be driven by current because they act as light sources driven by electronic circuits. Here, we report the high-speed direct modulation of a lambda-scale embedded active region photonic-crystal (LEAP) laser that holds three records for any type of laser operated at room temperature: a low threshold current of 4.8 µA, a modulation current efficiency of 2.0 GHz µA-0.5 and an operating energy of 4.4 fJ bit-1. Five major technologies make this performance possible: a compact buried heterostructure, a photonic-crystal nanocavity, a lateral p-n junction realized by ion implantation and thermal diffusion, an InAlAs sacrificial layer and current-blocking trenches. We believe that an output power of 2.17 µW and an operating energy of 4.4 fJ bit-1 will enable us to realize on-chip photonic networks in combination with the recently developed highly sensitive receivers.

Flow Velocity Profiles in Actively-Driven 2D Nozzle Experiments using Freely-Suspended Smectic Liquid Crystal Films

NASA Astrophysics Data System (ADS)

Dutch, Evan; Briggs, Corrina; Ferguson, Kyle; Green, Adam; Park, Cheol; Glaser, Matt; Maclennan, Joe; Clark, Noel

Freely-suspended smectic A liquid crystal films have been used to explore a large range of interesting flow phenomena. Passive microrheology experiments have confirmed previously that such films are ideal systems with which to investigate two-dimensional (2D) hydrodynamics. Here we describe an experiment that uses smectic films to study actively-driven 2D flows. Flow excited by blowing air over a film of smectic liquid crystal material containing small inclusions is captured using digital video microscopy. The flow fields are extracted using particle imaging velocimetry. We have measured the velocity field generated by flow through a thin nozzle into a large rectangular reservoir and compared this to a theoretical model based on 2D complex potential flows. The observations confirm that there is parabolic flow in straight channels, and that the theory accurately models the film velocity flow field in the reservoir. This work was supported by NASA Grant No. NNX-13AQ81G, and NSF MRSEC Grants No. DMR-0820579 and DMR-1420736.

Universal Fragment Descriptors for Predicting Electronic and Mechanical Properties of Inorganic Crystals

NASA Astrophysics Data System (ADS)

Oses, Corey; Isayev, Olexandr; Toher, Cormac; Curtarolo, Stefano; Tropsha, Alexander

Historically, materials discovery is driven by a laborious trial-and-error process. The growth of materials databases and emerging informatics approaches finally offer the opportunity to transform this practice into data- and knowledge-driven rational design-accelerating discovery of novel materials exhibiting desired properties. By using data from the AFLOW repository for high-throughput, ab-initio calculations, we have generated Quantitative Materials Structure-Property Relationship (QMSPR) models to predict critical materials properties, including the metal/insulator classification, band gap energy, and bulk modulus. The prediction accuracy obtained with these QMSPR models approaches training data for virtually any stoichiometric inorganic crystalline material. We attribute the success and universality of these models to the construction of new materials descriptors-referred to as the universal Property-Labeled Material Fragments (PLMF). This representation affords straightforward model interpretation in terms of simple heuristic design rules that could guide rational materials design. This proof-of-concept study demonstrates the power of materials informatics to dramatically accelerate the search for new materials.

Reversible near-infrared light directed reflection in a self-organized helical superstructure loaded with upconversion nanoparticles.

PubMed

Wang, Ling; Dong, Hao; Li, Yannian; Xue, Chenming; Sun, Ling-Dong; Yan, Chun-Hua; Li, Quan

2014-03-26

Adding external, dynamic control to self-organized superstructures with desired functionalities is an important leap necessary in leveraging the fascinating molecular systems for applications. Here, the new light-driven chiral molecular switch and upconversion nanoparticles, doped in a liquid crystal media, were able to self-organize into an optically tunable helical superstructure. The resulting nanoparticle impregnated helical superstructure was found to exhibit unprecedented reversible near-infrared (NIR) light-guided tunable behavior only by modulating the excitation power density of a continuous-wave NIR laser (980 nm). Upon irradiation by the NIR laser at the high power density, the reflection wavelength of the photonic superstructure red-shifted, whereas its reverse process occurred upon irradiation by the same laser but with the lower power density. Furthermore, reversible dynamic NIR-light-driven red, green, and blue reflections in a single thin film, achieved only by varying the power density of the NIR light, were for the first time demonstrated.

Field alignment of bent-core smectic liquid crystals for analog optical phase modulation

NASA Astrophysics Data System (ADS)

Shen, Y.; Goodhew, L.; Shao, R.; Moran, M.; Korblova, E.; Walba, D. M.; Clark, N. A.; Maclennan, J. E.; Rudquist, P.

2015-05-01

A general method for aligning bent-core smectic liquid crystal materials is described. Alternating electric fields between interdigitated electrodes patterned on one cell surface create torques on the liquid crystal that result in uniform "bookshelf" orientation of the smectic layers. The aligned cell can then be driven in the conventional way by applying an electric field between all of the stripe electrodes connected together and a monolithic electrode on the other cell surface. Fast, analog, optical phase-only modulation is demonstrated in a device containing a polar, bent-core SmAPF material aligned using this technique.

Growth experiment of narrow band-gap semiconductor PbSnTe single crystals in space (M-1)

NASA Technical Reports Server (NTRS)

Yamada, Tomoaki

1993-01-01

An experiment on crystal growth of Pb(1-x)Sn(x)Te in microgravity is planned. This material is an alloy of the compound semiconductors PbTe and SnTe. It is a promising material for infrared diode lasers and detectors in the wavelength region between 6 and 30 micron. Since the electrical properties of Pb(1-x)Sn(x)Te depend greatly on the Pb/Sn ratio and crystalline defects as well as impurity concentration, homogeneous, defect-free, high-quality crystals are anticipated. Although many growth methods, such as the pulling method, the Bridgman method, the vapor growth method, etc., have been applied to the growth of Pb(1-x)Sn(x)Te, large, homogeneous, low-defect-density crystals have not yet been grown on Earth. The unsuccessful results were caused by buoyancy-driven convection in the fluids induced by the specific gravity difference between heated and cooled fluids on Earth. A crystal is grown by cooling the melt from one end of the ampoule. In crystal growth from the melt, about 30 percent of the SnTe in the melt is rejected at the solid-liquid interface during solidification. On Earth, the rejected SnTe is completely mixed with the remaining melt by convection in the melt. Therefore, SnTe concentration in the melt, and accordingly in the crystal, increases as the crystal grows. In the microgravity environment, buoyancy-driven convection is suppressed because the specific gravity difference is negligible. In that case, the rejected SnTe remains at the solid-liquid interface and its concentration increases only at the interface. If the growth rate is higher than the PbTe-SnTe interdiffusion rate, the amount of SnTe which diffuses from the interface into the melt increases as SnTe piles up at the interface, and finally it balances the amount of rejected SnTe during solidification, resulting in steady-state SnTe transportation at the interface. By using this principle, compositionally homogeneous crystals can be grown. Furthermore, low-defect-density crystals will be grown in microgravity, because convection causes crystalline defects by mising hot and cold fluids and generating temperature fluctuations in them.

Direct and real time probe of photoinduced structure transition in colossal magnetoresistive material

DOE PAGES

Li, Junjie; Wang, Xuan; Zhou, Haidong; ...

2016-07-29

Here, we report a direct and real time measurement of photoinduced structure phase transition in single crystal La 0.84Sr 0.16MnO 3 using femtosecond electron diffraction. The melting of orthorhombic lattice ordering under femtosecond optical excitation is found involving two distinct processes with different time scales, an initial fast melting of orthorhombic phase in about 4 ps and a subsequent slower transformation in 90 ps and longer timescales. Furthermore, the fast process is designated as the initial melting of orthorhombic phase induced by the Mn-O bond change that is most likely driven by the quenching of the dynamic Jahn-Teller distortion followingmore » the photo-excitation. We attribute the slow process to the growing of newly formed structure domain from the photo-excited sites to the neighboring non-excited orthorhombic sites.« less

Tuned, driven, and active soft matter

NASA Astrophysics Data System (ADS)

Menzel, Andreas M.

2015-02-01

One characteristic feature of soft matter systems is their strong response to external stimuli. As a consequence they are comparatively easily driven out of their ground state and out of equilibrium, which leads to many of their fascinating properties. Here, we review illustrative examples. This review is structured by an increasing distance from the equilibrium ground state. On each level, examples of increasing degree of complexity are considered. In detail, we first consider systems that are quasi-statically tuned or switched to a new state by applying external fields. These are common liquid crystals, liquid crystalline elastomers, or ferrogels and magnetic elastomers. Next, we concentrate on systems steadily driven from outside e.g. by an imposed flow field. In our case, we review the reaction of nematic liquid crystals, of bulk-filling periodically modulated structures such as block copolymers, and of localized vesicular objects to an imposed shear flow. Finally, we focus on systems that are "active" and "self-driven". Here our range spans from idealized self-propelled point particles, via sterically interacting particles like granular hoppers, via microswimmers such as self-phoretically driven artificial Janus particles or biological microorganisms, via deformable self-propelled particles like droplets, up to the collective behavior of insects, fish, and birds. As we emphasize, similarities emerge in the features and behavior of systems that at first glance may not necessarily appear related. We thus hope that our overview will further stimulate the search for basic unifying principles underlying the physics of these soft materials out of their equilibrium ground state.

Surface Phase Stability and Surfactant Behavior on InAsSb

NASA Astrophysics Data System (ADS)

Anderson, Evan M.

InAsSb and related III-As/III-Sb heterostructures are of technological interest for applications in long wavelength infrared optoelectronic devices. However, there remain challenges to growing high quality material for these devices due to the complex interaction between As and Sb. While this interaction has been the subject of intense study, little work has focused on how As and Sb behave at the material surface with even fewer investigations into the atomic scale details of the InAsSb surface. This is a major gap in current knowledge because these materials are typically grown via vapor deposition methods, one atomic layer at a time. Thus, all processes impacting the growth of the crystal and its resultant properties occur at the surface. Despite this, the atomic scale details of the surface phases and processes impacting the Sb-As interaction have not previously been reported. This dissertation investigates the surface As-Sb interaction at an atomistic scale and its modification through different surface chemistry to be used as a guide for future experiments to improve the quality InAsSb of heterostructures by manipulating the surface phase during growth. In order to accomplish this, first principles calculations and experiments are used to investigate this system from three complimentary vantage points. First, the influence of Sb on the InAs surface and the stable surface phases of this system are investigated. Next, a similar approach is used on the opposite compositional extreme of the InAsSb system: As on the surface of InSb. Finally, the interaction of As and Sb is modified by the use of Bi as a surfactant during growth of InAsSb films. The interaction between As and Sb is found to be driven through the formation of surface phases and Bi is found to alter this interaction. Phase diagrams of both Sb on InAs and As on InSb show that As and Sb are driven to intermix through the formation of alloyed surface phases. Additionally, these phases range from having bulk-like stoichiometry to being highly As or Sb rich for the full InAsSb compositional range, indicating that surface stoichiometry is a controllable parameter for InAsSb growth. Sb is shown to intermix with the InAs surface by roughening the surface in a process driven by a phase transition. This interaction between Sb and InAs is stronger than previously thought, which has implications for the crystal growth problem of compositional broadening of the interfaces of III-As/III-Sb heterostructures. Finally, applying Bi to the surface of InAsSb during growth shows that modifies the interaction between As and Sb by catalyzing the formation of InAs, which decreases Sb incorporation. The results of this dissertation lay the foundation for optimization of the crystal growth surface in order to improve the properties of InAsSb and arsenide/antimonide heterostructures.

Liquid-Crystal-Enabled Active Plasmonics: A Review

PubMed Central

Si, Guangyuan; Zhao, Yanhui; Leong, Eunice Sok Ping; Liu, Yan Jun

2014-01-01

Liquid crystals are a promising candidate for development of active plasmonics due to their large birefringence, low driving threshold, and versatile driving methods. We review recent progress on the interdisciplinary research field of liquid crystal based plasmonics. The research scope of this field is to build the next generation of reconfigurable plasmonic devices by combining liquid crystals with plasmonic nanostructures. Various active plasmonic devices, such as switches, modulators, color filters, absorbers, have been demonstrated. This review is structured to cover active plasmonic devices from two aspects: functionalities and driven methods. We hope this review would provide basic knowledge for a new researcher to get familiar with the field, and serve as a reference for experienced researchers to keep up the current research trends. PMID:28788515

Multiplexed image storage by electromagnetically induced transparency in a solid

NASA Astrophysics Data System (ADS)

Heinze, G.; Rentzsch, N.; Halfmann, T.

2012-11-01

We report on frequency- and angle-multiplexed image storage by electromagnetically induced transparency (EIT) in a Pr3+:Y2SiO5 crystal. Frequency multiplexing by EIT relies on simultaneous storage of light pulses in atomic coherences, driven in different frequency ensembles of the inhomogeneously broadened solid medium. Angular multiplexing by EIT relies on phase matching of the driving laser beams, which permits simultaneous storage of light pulses propagating under different angles into the crystal. We apply the multiplexing techniques to increase the storage capacity of the EIT-driven optical memory, in particular to implement multiplexed storage of larger two-dimensional amounts of data (images). We demonstrate selective storage and readout of images by frequency-multiplexed EIT and angular-multiplexed EIT, as well as the potential to combine both multiplexing approaches towards further enhanced storage capacities.

Double Diffusive Convection in Materials Processing

NASA Technical Reports Server (NTRS)

Ramachandra, Narayanan; Leslie, Fred W.

1999-01-01

A great number of crystals grown in space are plagued by convective motions which contribute to structural flaws. The character of these instabilities is not well understood but is associated with density variations in the presence of residual gravity (g-jitter). As a specific example, past HgCdTe crystal growth space experiments by Lehoczky and co-workers indicate radial compositional asymmetry in the grown crystals. In the case of HgCdTe the rejected component into the melt upon solidification is HgTe which is denser than the melt. The space grown crystals indicate the presence of three dimensional flow with the heavier HgTe-rich material clearly aligned with the residual gravity (0.55-1.55 micro g) vector. This flow stems from double-diffusive convection, namely, thermal and solutal buoyancy driven flow in the melt. The study of double-diffusive convection is multi-faceted and rather vast. In our investigation, we seek to focus on one specific aspect of this discipline that is of direct relevance to materials processing especially crystal growth, namely, the side ways heating regime. This problem has been widely studied, both experimentally and numerically, in the context of solar ponds wherein the system is characterized by a linear salt (solutal) gradient with an imposed lateral temperature gradient. The induced flow instabilities arise from the wide disparity between the fluid thermal diffusivity and the solute diffusivity. The extension of the analysis to practical crystal growth applications has however not been rigorously made and understood. One subtle but important difference in crystal growth systems is the fact that die system solute gradient is non-linear (typically exponential). Besides, the crystal growth problem has the added complexities of solidification, both lateral and longitudinal thermal gradients and segregation phenomena in systems where binary and ternary compounds are being grown. This paper treats the side ways heating problem alone in a model fluid system. Results from detailed numerical calculations, mainly two dimensional are provided. The interactions between a non-linear solute gradient and an imposed transverse thermal gradient are investigated. The buoyancy effects are treated in the traditional Boussinesq approximation and also in a more complete density formulation to address recent concerns of the first approach especially in simulations of the system response in a reduced gravity environment. Detailed flow, temperature and solute field plots along with heat and mass transfer results are presented in the paper. Implications to practical crystal growth systems as discerned from the modeling results are also explored and reported.

Device and method for screening crystallization conditions in solution crystal growth

NASA Technical Reports Server (NTRS)

Carter, Daniel C. (Inventor)

1995-01-01

A device and method for detecting optimum protein crystallization conditions and for growing protein crystals in either 1g or microgravity environments comprising a housing, defining at least one pair of chambers for containing crystallization solutions is presented. The housing further defines an orifice therein for providing fluid communication between the chambers. The orifice is adapted to receive a tube which contains a gelling substance for limiting the rate of diffusive mixing of the crystallization solutions. The solutions are diffusively mixed over a period of time defined by the quantity of gelling substance sufficient to achieve equilibration and to substantially reduce density driven convection disturbances therein. The device further includes endcaps to seal the first and second chambers. One of the endcaps includes a dialysis chamber which contains protein solution in which protein crystals are grown. Once the endcaps are in place, the protein solution is exposed to the crystallization solutions wherein the solubility of the protein solution is reduced at a rate responsive to the rate of diffusive mixing of the crystallization solutions. This allows for a controlled approach to supersaturation and allows for screening of crystal growth conditions at preselected intervals.

Device and Method for Screening Crystallization Conditions in Solution Crystal Growth

NASA Technical Reports Server (NTRS)

Carter, Daniel C. (Inventor)

1997-01-01

A device and method for detecting optimum protein crystallization conditions and for growing protein crystals in either 1 g or microgravity environments comprising a housing defining at least one pair of chambers for containing crystallization solutions. The housing further defines an orifice therein for providing fluid communication between the chambers. The orifice is adapted to receive a tube which contains a gelling substance for limiting the rate of diffusive mixing of the crystallization solutions. The solutions are diffusively mixed over a period of time defined by the quantity of gelling substance sufficient to achieve equilibration and to substantially reduce density driven convection disturbances therein. The device further includes endcaps to seal the first and second chambers. One of the endcaps includes a dialysis chamber which contains protein solution in which protein crystals are grown. Once the endcaps are in place. the protein solution is exposed to the crystallization solutions wherein the solubility of the protein solution is reduced at a rate responsive to the rate of diffusive mixing of the crystallization solutions. This allows for a controlled approach to supersaturation and allows for screening of crystal growth conditions at preselected intervals.

Chemical and biological sensing using liquid crystals

PubMed Central

Carlton, Rebecca J.; Hunter, Jacob T.; Miller, Daniel S.; Abbasi, Reza; Mushenheim, Peter C.; Tan, Lie Na; Abbott, Nicholas L.

2014-01-01

The liquid crystalline state of matter arises from orientation-dependent, non-covalent interaction between molecules within condensed phases. Because the balance of intermolecular forces that underlies formation of liquid crystals is delicate, this state of matter can, in general, be easily perturbed by external stimuli (such as an electric field in a display). In this review, we present an overview of recent efforts that have focused on exploiting the responsiveness of liquid crystals as the basis of chemical and biological sensors. In this application of liquid crystals, the challenge is to design liquid crystalline systems that undergo changes in organization when perturbed by targeted chemical and biological species of interest. The approaches described below revolve around the design of interfaces that selectively bind targeted species, thus leading to surface-driven changes in the organization of the liquid crystals. Because liquid crystals possess anisotropic optical and dielectric properties, a range of different methods can be used to read out the changes in organization of liquid crystals that are caused by targeted chemical and biological species. This review focuses on principles for liquid crystal-based sensors that provide an optical output. PMID:24795857

Materials science research in microgravity

NASA Technical Reports Server (NTRS)

Perepezko, John H.

1992-01-01

There are several important attributes of an extended duration microgravity environment that offer a new dimension in the control of the microstructure, processing, and properties of materials. First, when gravitational effects are minimized, buoyancy driven convection flows are also minimized. The flows due to density differences, brought about either by composition or temperature gradients will then be reduced or eliminated to permit a more precise control of the temperature and the composition of a melt which is critical in achieving high quality crystal growth of electronic materials or alloy structures. Secondly, body force effects such as sedimentation, hydrostatic pressure, and deformation are similarly reduced. These effects may interfere with attempts to produce uniformly dispersed or aligned second phases during melt solidification. Thirdly, operating in a microgravity environment will facilitate the containerless processing of melts to eliminate the limitations of containment for reactive melts. The noncontacting forces such as those developed from electromagnet, electrostatic, or acoustic fields can be used to position samples. With this mode of operation, contamination can be minimized to enable the study of reactive melts and to eliminate extraneous crystal nucleation so that novel crystalline structures and new glass compositions may be produced. In order to take advantage of the microgravity environment for materials research, it has become clear that reliable processing models based on a sound ground based experimental experience and an established thermophysical property data base are essential.

Morphology Controls on Calcite Recrystallization.

PubMed

Heberling, Frank; Paulig, Leonie; Nie, Zhe; Schild, Dieter; Finck, Nicolas

2016-11-01

Environmental scientists and geoscientists working in different fields regard the reactivity of calcite and corresponding changes in its trace elemental- or isotopic composition from diametrically opposed points of view. As one extreme, calcite based environmental remediation strategies rely on the fast recrystallization of calcite and the concurrent uptake and immobilization of pollutants. Paleo-ecological investigations denote the other extreme, and rely on the invariability of calcite composition over geological periods of time. We use long-term radiotracer experiments to quantify recrystallization rates of seven types of calcite powder with diverse morphology and particle size distribution. On the one hand our results demonstrate the long-term metastability of calcite with equilibrated crystal surfaces even at isotopic dis-equilibrium. On the other hand, we document the extremely high reactivity and interfacial free energy of freshly ground, rough calcite. Our results indicate that bulk calcite recrystallization is an interfacial free energy driven Ostwald-ripening process, in which particle roughness effects dominate over the effect of crystal habitus and particle size. We confirm that the dynamic equilibrium exchange of crystal constituents between kink sites involves an activation barrier of about 25 kJ/mol. At room temperature the equilibrium exchange is limited to a near surface region and proceeds at a rate of (3.6 ± 1.4)·10 -13 mol/(m 2 ·s).

Characteristics of Young Rhyolites at Taupo, New Zealand: Implications for the Sub-Surface Plutonic System

NASA Astrophysics Data System (ADS)

Wilson, C. J.; Charlier, B. L.

2007-12-01

The young history of Taupo volcano captures the growth and destruction in the 26.5 ka ca. 530 km3 Oruanui eruption of a large rhyolitic magma body, together with the subsequent rejuvenation of magma sources below the volcano. Integration of field information with petrological and isotopic studies at the whole-pumice and single- crystal scales provide a picture of this history. Several important contrasts are inferred to exist between Taupo and comparably-sized, long-lived silicic foci such at Long Valley and in the Bishop Tuff. At Taupo the following are demonstrable. 1. Even in crystal-poor rhyolites like the Oruanui, many grains are inherited antecrysts or xenocrysts. The Oruanui crystal-poor rhyolite body was an open system, with influxes of crystals (plus melt) from remobilised older crystal mush, melted metasedimentary country rocks and plutonics, and crystal-poor basaltic to andesitic magmas. 2. All the Taupo rhyolites were well mixed prior to eruption, and there are no gradients in the eruption products to suggest that the holding chamber(s) were stratified to any extent. 3. Mafic magmas rose into, interacted with, and ponded on the floors of crystal-poor rhyolite in the Oruanui and Waimihia (3.5 ka) examples, again implying that the chamber floor was sharply defined, not a gradual progression down into a more crystal- rich root zone. 4. Pre-Oruanui activity involved contrasting magma types being generated simultaneously, but erupting from geographically separated vents. Post-Oruanui activity has seen (subtly) contrasting magma groups being erupted from vents in the same geographic area, but separated in time. The Oruanui and post-Oruanui magmas are different and do not appear to be related by consanguinity or by mixing - the Oruanui eruption effectively destroyed its magma body. These features are consistent with rhyolite magma generation at Taupo that is exceptionally fast, driven by high fluxes of mafic magmas into a highly heterogeneous crustal melange of metasedimentary and igneous lithologies. There is no voluminous crystal mush body to act as a buffer for the rhyolite generation processes; the eruption frequency at Taupo gives no chance for such a body to develop.

Large area projection liquid-crystal video display system with inherent grid pattern optically removed

NASA Technical Reports Server (NTRS)

Liu, Hua-Kuang (Inventor)

1992-01-01

A relatively small and low-cost system is provided for projecting a large and bright television image onto a screen. A miniature liquid crystal array is driven by video circuitry to produce a pattern of transparencies in the array corresponding to a television image. Light is directed against the rear surface of the array to illuminate it, while a projection lens lies in front of the array to project the image of the array onto a large screen. Grid lines in the liquid crystal array are eliminated by a spacial filter which comprises a negative of the Fourier transform of the grid.

Gravitational effects on the development of weld-pool and solidification microstructures

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

Boatner, L.A.; David, S.A.; Workman, G.

1994-09-01

This research effort has as its objective the development of a quantitative understanding of the effects of both low- and high-g environments on the solidification microstructures and morphologies that are produced in alloy single crystals during a variety of melting and solidification processes. The overall goal of the effort is to delineate the nature of the roles played by natural convection, surface-tension-driven convection, and mass transport effects due to interactions associated with various heating methods that are used to form melt pools in practical, commercially important alloy systems. The experimental and theoretical investigations comprising this effort encompass the study ofmore » configurations in which stationary heat sources are employed as well as melt pools formed by moving heat sources like those frequently used in fusion-welding processes.« less

A molded surface-micromachining and bulk etching release (MOSBE) fabrication platform on (1 1 1) Si for MOEMS

NASA Astrophysics Data System (ADS)

Wu, Mingching; Fang, Weileun

2006-02-01

This work attempts to integrate poly-Si thin film and single-crystal-silicon (SCS) structures in a monolithic process. The process integrated multi-depth DRIE (deep reactive ion etching), trench-refilled molding, a two poly-Si MUMPs process and (1 1 1) Si bulk micromachining to accomplish multi-thickness and multi-depth structures for superior micro-optical devices. In application, a SCS scanning mirror driven by self-aligned vertical comb-drive actuators was demonstrated. The stiffness of the mirror was significantly increased by thick SCS structures. The thin poly-Si film served as flexible torsional springs and electrical routings. The depth difference of the vertical comb electrodes was tuned by DRIE to increase the devices' stroke. Finally, a large moving space was available after the bulk Si etching. In summary, the present fabrication process, named (1 1 1) MOSBE (molded surface-micromachining and bulk etching release on (1 1 1) Si substrate), can further integrate with the MUMPs devices to establish a more powerful platform.

Discrete Time Crystals: Rigidity, Criticality, and Realizations.

PubMed

Yao, N Y; Potter, A C; Potirniche, I-D; Vishwanath, A

2017-01-20

Despite being forbidden in equilibrium, spontaneous breaking of time translation symmetry can occur in periodically driven, Floquet systems with discrete time-translation symmetry. The period of the resulting discrete time crystal is quantized to an integer multiple of the drive period, arising from a combination of collective synchronization and many body localization. Here, we consider a simple model for a one-dimensional discrete time crystal which explicitly reveals the rigidity of the emergent oscillations as the drive is varied. We numerically map out its phase diagram and compute the properties of the dynamical phase transition where the time crystal melts into a trivial Floquet insulator. Moreover, we demonstrate that the model can be realized with current experimental technologies and propose a blueprint based upon a one dimensional chain of trapped ions. Using experimental parameters (featuring long-range interactions), we identify the phase boundaries of the ion-time-crystal and propose a measurable signature of the symmetry breaking phase transition.

Topological Classification of Crystalline Insulators through Band Structure Combinatorics

NASA Astrophysics Data System (ADS)

Kruthoff, Jorrit; de Boer, Jan; van Wezel, Jasper; Kane, Charles L.; Slager, Robert-Jan

2017-10-01

We present a method for efficiently enumerating all allowed, topologically distinct, electronic band structures within a given crystal structure in all physically relevant dimensions. The algorithm applies to crystals without time-reversal, particle-hole, chiral, or any other anticommuting or anti-unitary symmetries. The results presented match the mathematical structure underlying the topological classification of these crystals in terms of K -theory and therefore elucidate this abstract mathematical framework from a simple combinatorial perspective. Using a straightforward counting procedure, we classify all allowed topological phases of spinless particles in crystals in class A . Employing this classification, we study transitions between topological phases within class A that are driven by band inversions at high-symmetry points in the first Brillouin zone. This enables us to list all possible types of phase transitions within a given crystal structure and to identify whether or not they give rise to intermediate Weyl semimetallic phases.

Realignment of Nanocrystal Aggregates into Single Crystals as a Result of Inherent Surface Stress

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

Liu, Zhaoming; Pan, Haihua; Zhu, Genxing

2016-07-19

Assembly of nanoparticles building blocks during single crystal growth is widely observed in both natural and synthetic environments. Although this form of non-classical crystallization is generally described by oriented attachment, random aggregation of building blocks leading to single crystal products is also observed, but the mechanism of crystallographic realignment is unknown. We herein reveal that random attachment during aggregation-based growth initially produces a non-oriented growth front. Subsequent evolution of the orientation is driven by the inherent surface stress applied by the disordered surface layer and results in single crystal formation via grain boundary migration. This mechanism is corroborated by measurementsmore » of orientation rate vs external stress, demonstrating a predictive relationship between the two. These findings advance our understanding of aggregation-based growth of natural minerals by nanocrystals, and suggest an approach to material synthesis that takes advantage of stress induced co-alignment.« less

Modelling of hydrothermal instabilities in a capillary bridge

NASA Astrophysics Data System (ADS)

Pillai, Dipin; Wray, Alex; Narayanan, Ranga

2017-11-01

We examine the behaviour of a capillary bridge/boat suspended between two heated plates. Such systems are common in many physical situations such as crystal growth processes. However, as shown experimentally by Messmer et al., the system exhibits a complex array of behaviours driven by a Marangoni instability. While qualitative arguments have been advanced for these behaviours in the past, we develop a complete low-order model to elucidate the mechanisms at work. The model takes into account viscosity, surface tension, Marangoni stress and inertia as well as a full convection-diffusion equation for the thermal effects. Detailed comparisons of flow fields and thermal distributions are made with experiments. NASA NNX17AL27G and NSF 0968313.

Rigidity, Criticality and Prethermalization of Discrete Time Crystals

NASA Astrophysics Data System (ADS)

Yao, Norman

2017-04-01

Despite being forbidden in equilibrium, spontaneous breaking of time translation symmetry can occur in periodically driven, Floquet systems with discrete time-translation symmetry. The period of the resulting discrete time crystal (DTC) is quantized to an integer multiple of the drive period, arising from a combination of collective synchronization and many body localization. In this talk, I will describe a simple model for a one dimensional discrete time crystal which explicitly reveals the rigidity of the emergent oscillations as the drive is varied. I will analyze the properties of the dynamical phase transition where the time crystal melts into a trivial Floquet insulator. Effects of long-range interactions and pre-thermalization will be considered in the context of recent DTC realizations in trapped ions and solid-state spins.

Interplay between spin-orbit coupling and crystal-field effect in topological insulators

NASA Astrophysics Data System (ADS)

Lee, Hyungjun; Yazyev, Oleg V.

2015-07-01

Band inversion, one of the key signatures of time-reversal invariant topological insulators (TIs), arises mostly due to the spin-orbit (SO) coupling. Here, based on ab initio density-functional calculations, we report a theoretical investigation of the SO-driven band inversion in isostructural bismuth and antimony chalcogenide TIs from the viewpoint of its interplay with the crystal-field effect. We calculate the SO-induced energy shift of states in the top valence and bottom conduction manifolds and reproduce this behavior using a simple one-atom model adjusted to incorporate the crystal-field effect. The crystal-field splitting is shown to compete with the SO coupling, that is, stronger crystal-field splitting leads to weaker SO band shift. We further show how both these effects can be controlled by changing the chemical composition, whereas the crystal-field splitting can be tuned by means of uniaxial strain. These results provide a practical guidance to the rational design of novel TIs as well as to controlling the properties of existing materials.

Oppositely charged colloids out of equilibrium

NASA Astrophysics Data System (ADS)

Vissers, T.

2010-11-01

Colloids are particles with a size in the range of a few nanometers up to several micrometers. Similar to atomic and molecular systems, they can form gases, liquids, solids, gels and glasses. Colloids can be used as model systems because, unlike molecules, they are sufficiently large to be studied directly with light microscopy and move sufficiently slow to study their dynamics. In this thesis, we study binary systems of polymethylmethacrylate (PMMA) colloidal particles suspended in low-polar solvent mixtures. Since the ions can still partially dissociate, a surface charge builds up which causes electrostatic interactions between the colloids. By carefully tuning the conditions inside the suspension, we make two kinds of particles oppositely charged. To study our samples, we use Confocal Laser Scanning Microscopy (CLSM). The positively and negatively charged particles can be distinguished by a different fluorescent dye. Colloids constantly experience a random motion resulting from random kicks of surrounding solvent molecules. When the attractions between the oppositely charged particles are weak, the particles can attach and detach many times and explore a lot of possible configurations and the system can reach thermodynamic equilibrium. For example, colloidal ‘ionic’ crystals consisting of thousands to millions of particles can form under the right conditions. When the attractions are strong, the system can become kinetically trapped inside a gel-like state. We observe that when the interactions change again, crystals can even emerge again from this gel-like phase. By using local order parameters, we quantitatively study the crystallization of colloidal particles and identify growth defects inside the crystals. We also study the effect of gravity on the growth of ionic crystals by using a rotating stage. We find that sedimentation can completely inhibit crystal growth and plays an important role in crystallization from the gel-like state. The surface potential and charge are studied by electrophoresis. Here, the velocity of the particles is measured while they are moving in an electric field. Using our real-space CLSM setup, we find that for a single-component system, the charge on the particles decreases with increasing volume fraction. Apart from structures that oppositely charged particles form close to thermodynamic equilibrium, we also study pattern formation when the system is driven out of equilibrium by an electric field. When oppositely charged particles are driven in opposite directions, the collisions between them cause particle of the same kind to form lanes. By combining our CLSM experiments with Brownian dynamics computer simulations, we study the structure and the dynamics of the suspension on the single-particle level. We find that the number of particles in a lane increases continuously with the field strength. By studying the dynamics and fluctuations parallel and perpendicular to the electric field direction, we identify the key mechanism of lane-formation. We show that pattern formation can easily become more complicated when we introduce alternating current (AC) fields. In addition to the formation of lanes parallel to the field-axis, bands of like-charged particles can form perpendicular to it. When the particles are sufficiently mobile, the system can be remixed again by changing the frequency. When AC-fields with higher field strengths are used, we show that complex patterns, including rotating instabilities, can emerge. The results in this thesis yield fundamental insight in electrophoresis, crystallization and pattern formation when systems are driven out of equilibrium. The results on lane- and band-formation can be relevant for the design of electronic ink (e-ink), where electrically driven oppositely charged particles are used to change the image on a piece of electronic paper.

Prethermal time crystals in a one-dimensional periodically driven Floquet system

NASA Astrophysics Data System (ADS)

Zeng, Tian-Sheng; Sheng, D. N.

2017-09-01

Motivated by experimental observations of time-symmetry breaking behavior in a periodically driven (Floquet) system, we study a one-dimensional spin model to explore the stability of such Floquet discrete time crystals (DTCs) under the interplay between interaction and the microwave driving. For intermediate interactions and high drivings, from the time evolution of both stroboscopic spin polarization and mutual information between two ends, we show that Floquet DTCs can exist in a prethermal time regime without the tuning of strong disorder. For much weak interactions the system is a symmetry-unbroken phase, while for strong interactions it gives its way to a thermal phase. Through analyzing the entanglement dynamics, we show that large driving fields protect the prethermal DTCs from many-body localization and thermalization. Our results suggest that by increasing the spin interaction, one can drive the experimental system into optimal regime for observing a robust prethermal DTC phase.

Counteranion Driven Homochiral Assembly of a Cationic C3-Symmetric Gelator through Ion-Pair Assisted Hydrogen Bond.

PubMed

Maity, Arunava; Gangopadhyay, Monalisa; Basu, Arghya; Aute, Sunil; Babu, Sukumaran Santhosh; Das, Amitava

2016-09-07

The helical handedness in achiral self-assemblies is mostly complex due to spontaneous symmetry breaking or kinetically controlled random assembly formation. Here an attempt has been made to address this issue through chiral anion exchange. A new class of cationic achiral C3-symmetric gelator devoid of any conventional gelation assisting functional units is found to form both right- and left-handed helical structures. A chiral counteranion exchange-assisted approach is successfully introduced to control the chirality sign and thereby to obtain preferred homochiral assemblies. Formation of anion-assisted chiral assembly was confirmed by circular dichroism (CD) spectroscopy, microscopic images, and crystal structure. The X-ray crystal structure reveals the construction of helical assemblies with opposite handedness for (+)- and (-)-chiral anion reformed gelators. The appropriate counteranion driven ion-pair-assisted hydrogen-bonding interactions are found responsible for the helical bias control in this C3-symmetric gelator.

Lateral cavity photonic crystal surface emitting lasers with ultralow threshold and large power

NASA Astrophysics Data System (ADS)

Wang, Yufei; Qu, Hongwei; Zhou, Wenjun; Jiang, Bin; Zhang, Jianxin; Qi, Aiyi; Liu, Lei; Fu, Feiya; Zheng, Wanhua

2012-03-01

The Bragg diffraction condition of surface-emitting lasing action is analyzed and Γ2-1 mode is chosen for lasing. Two types of lateral cavity photonic crystal surface emitting lasers (LC-PCSELs) based on the PhC band edge mode lateral resonance and vertical emission to achieve electrically driven surface emitting laser without distributed Bragg reflectors in the long wavelength optical communication band are designed and fabricated. Deep etching techniques, which rely on the active layer being or not etched through, are adopted to realize the LC-PCSELs on the commercial AlGaInAs/InP multi-quantum-well (MQW) epitaxial wafer. 1553.8 nm with ultralow threshold of 667 A/cm2 and 1575 nm with large power of 1.8 mW surface emitting lasing actions are observed at room temperature, providing potential values for mass production with low cost of electrically driven PCSELs.

Crystallization characteristics of iron-rich glass ceramics prepared from nickel slag and blast furnace slag

NASA Astrophysics Data System (ADS)

Wang, Zhong-Jie; Ni, Wen; Li, Ke-Qing; Huang, Xiao-Yan; Zhu, Li-Ping

2011-08-01

The crystallization process of iron-rich glass-ceramics prepared from the mixture of nickel slag (NS) and blast furnace slag (BFS) with a small amount of quartz sand was investigated. A modified melting method which was more energy-saving than the traditional methods was used to control the crystallization process. The results show that the iron-rich system has much lower melting temperature, glass transition temperature ( T g), and glass crystallization temperature ( T c), which can result in a further energy-saving process. The results also show that the system has a quick but controllable crystallization process with its peak crystallization temperature at 918°C. The crystallization of augite crystals begins from the edge of the sample and invades into the whole sample. The crystallization process can be completed in a few minutes. A distinct boundary between the crystallized part and the non-crystallized part exists during the process. In the non-crystallized part showing a black colour, some sphere-shaped augite crystals already exist in the glass matrix before samples are heated to T c. In the crystallized part showing a khaki colour, a compact structure is formed by augite crystals.

Structural phase transition in monolayer MoTe2 driven by electrostatic doping

NASA Astrophysics Data System (ADS)

Wang, Ying; Xiao, Jun; Zhu, Hanyu; Li, Yao; Alsaid, Yousif; Fong, King Yan; Zhou, Yao; Wang, Siqi; Shi, Wu; Wang, Yuan; Zettl, Alex; Reed, Evan J.; Zhang, Xiang

2017-10-01

Monolayers of transition-metal dichalcogenides (TMDs) exhibit numerous crystal phases with distinct structures, symmetries and physical properties. Exploring the physics of transitions between these different structural phases in two dimensions may provide a means of switching material properties, with implications for potential applications. Structural phase transitions in TMDs have so far been induced by thermal or chemical means; purely electrostatic control over crystal phases through electrostatic doping was recently proposed as a theoretical possibility, but has not yet been realized. Here we report the experimental demonstration of an electrostatic-doping-driven phase transition between the hexagonal and monoclinic phases of monolayer molybdenum ditelluride (MoTe2). We find that the phase transition shows a hysteretic loop in Raman spectra, and can be reversed by increasing or decreasing the gate voltage. We also combine second-harmonic generation spectroscopy with polarization-resolved Raman spectroscopy to show that the induced monoclinic phase preserves the crystal orientation of the original hexagonal phase. Moreover, this structural phase transition occurs simultaneously across the whole sample. This electrostatic-doping control of structural phase transition opens up new possibilities for developing phase-change devices based on atomically thin membranes.

Quick-scanning x-ray absorption spectroscopy system with a servo-motor-driven channel-cut monochromator with a temporal resolution of 10 ms.

PubMed

Nonaka, T; Dohmae, K; Araki, T; Hayashi, Y; Hirose, Y; Uruga, T; Yamazaki, H; Mochizuki, T; Tanida, H; Goto, S

2012-08-01

We have developed a quick-scanning x-ray absorption fine structure (QXAFS) system and installed it at the recently constructed synchrotron radiation beamline BL33XU at the SPring-8. Rapid acquisition of high-quality QXAFS data was realized by combining a servo-motor-driven Si channel-cut monochromator with a tapered undulator. Two tandemly aligned monochromators with channel-cut Si(111) and Si(220) crystals covered energy ranges of 4.0-28.2 keV and 6.6-46.0 keV, respectively. The system allows the users to adjust instantly the energy ranges of scans, the starting angles of oscillations, and the frequencies. The channel-cut crystals are cooled with liquid nitrogen to enable them to withstand the high heat load from the undulator radiation. Deformation of the reflecting planes is reduced by clamping each crystal with two cooling blocks. Performance tests at the Cu K-edge demonstrated sufficiently high data quality for x-ray absorption near-edge structure and extended x-ray absorption fine-structure analyses with temporal resolutions of up to 10 and 25 ms, respectively.

Ultrafast water sensing and thermal imaging by a metal-organic framework with switchable luminescence

NASA Astrophysics Data System (ADS)

Chen, Ling; Ye, Jia-Wen; Wang, Hai-Ping; Pan, Mei; Yin, Shao-Yun; Wei, Zhang-Wen; Zhang, Lu-Yin; Wu, Kai; Fan, Ya-Nan; Su, Cheng-Yong

2017-06-01

A convenient, fast and selective water analysis method is highly desirable in industrial and detection processes. Here a robust microporous Zn-MOF (metal-organic framework, Zn(hpi2cf)(DMF)(H2O)) is assembled from a dual-emissive H2hpi2cf (5-(2-(5-fluoro-2-hydroxyphenyl)-4,5-bis(4-fluorophenyl)-1H-imidazol-1-yl)isophthalic acid) ligand that exhibits characteristic excited state intramolecular proton transfer (ESIPT). This Zn-MOF contains amphipathic micropores (<3 Å) and undergoes extremely facile single-crystal-to-single-crystal transformation driven by reversible removal/uptake of coordinating water molecules simply stimulated by dry gas blowing or gentle heating at 70 °C, manifesting an excellent example of dynamic reversible coordination behaviour. The interconversion between the hydrated and dehydrated phases can turn the ligand ESIPT process on or off, resulting in sensitive two-colour photoluminescence switching over cycles. Therefore, this Zn-MOF represents an excellent PL water-sensing material, showing a fast (on the order of seconds) and highly selective response to water on a molecular level. Furthermore, paper or in situ grown ZnO-based sensing films have been fabricated and applied in humidity sensing (RH<1%), detection of traces of water (<0.05% v/v) in various organic solvents, thermal imaging and as a thermometer.

Semiconductor-to-metal phase change in MoTe2 layers (Conference Presentation)

NASA Astrophysics Data System (ADS)

Davydov, Albert V.; Krylyuk, Sergiy; Kalish, Irina; Meshi, Louisa; Beams, Ryan; Kalanyan, Berc; Sharma, Deepak K.; Beck, Megan; Bergeron, Hadallia; Hersam, Mark C.

2016-09-01

Molybdenum ditelluride (MoTe2), which can exist in a semiconducting prismatic hexagonal (2H) or a metallic distorted octahedral (1T') phases, is one of the very few materials that exhibit metal-semiconductor transition. Temperature-driven 2H - 1T' phase transition in bulk MoTe2 occurs at high temperatures (above 900 °C) and it is usually accompanied by Te loss. The latter can exacerbate the control over reversibility of the phase transition. Here, we study effects of high-temperature annealing on phase transition in MoTe2 single crystals. First, MoTe2 were grown in sealed evacuated quartz ampoules from polycrystalline MoTe2 powder in an iodine-assisted chemical vapor transport process at 1000 °C. The 2H and 1T' phases were stabilized by controlling the cooling rate after the growth. In particular, slow cooling at 10 °C/h rate yielded the 2H phase whereas the 1T' phase was stabilized by ice-water quenching. Next, the phase conversion was achieved by annealing MoTe2 single crystals in vacuum-sealed ampoules at 1000 °C with or without additional poly-MoTe2 powder followed by fast or slow cooling. Similarly to the CVT growth, slow cooling and quenching consistently produced 2H and 1T' phases, respectively, regardless of the initial MoTe2 crystal structure. We will discuss structural and optical properties of the as-grown and phase-converted MoTe2 single crystals using TEM, SEM/EDS, XRD, XPS and Raman. Electrical characteristics of two-terminal devices made from metallic 1T' and bottom-gated FETs made from 2H exfoliated crystals will also be presented.

Contortionist bubbles in andesitic enclaves: implications for gas migration and phase segregation in crystal-rich magmas.

NASA Astrophysics Data System (ADS)

Oppenheimer, J. C.; Cashman, K. V.; Rust, A.; Dobson, K. J.; Bacon, C. R.; Dingwell, D. B.

2016-12-01

In order to constrain gas migration behaviors in crystal-rich magmas, we compare results of analogue experiments to frozen structures in andesitic enclaves. In the analogue experiments air was injected into mixtures of syrup and particles sandwiched between glass plates. We observed a significant increase in bubble deformation and coalescence when particle fractions increased beyond a critical value (the random loose packing). At high particle fractions, bubble growth re-organized (compacted) the particles adjacent to the bubble walls. This caused liquid segregation into patches within the particle suspension and into large void spaces near the outer edge of experiments. We compare these experiments to void morphologies in a 58 x 70 x 73 cm andesitic enclave from silicic-andesite lava flows of Mt Mazama, Oregon (Bacon, 1986). This enclave is zoned, with a vesicle-rich center and a glass-rich rim, suggesting gas-driven melt segregation from the center to the rim. We use both 2D (optical microscopy and SEM) and 3D (X-ray tomography) techniques to image crystal textures and bubble shapes. The center of the enclave bears scattered patches of groundmass in the main phenocryst framework. These patches are similar to those observed in experiments, and thus melt segregation in the enclave may have occurred both toward the rim and toward these patches. Bubble morphologies reveal two main types of bubbles. (1) Lobate and finger-like bubbles, similar to the deformed bubbles in experiments, are found exclusively in the groundmass patches. They are also often associated with compacted crystal structures at the bubble walls. (2) Diktytaxitic textures - angular bubbles flattened against phenocrysts - are abundant in the crystal networks. These voids are entirely connected in 3D and formed the gas-rich center of the enclave. They likely represent a gas migration regime where the expanding gas front cannot deform the crystal structure but instead invades the pore-space between crystals, pushing out residual melt (filter pressing). The switch between regimes appears to depend on crystal size and aspect ratio. The similar features between bubbles in the enclave and in experiments are encouraging, and suggest that crystal-induced bubble deformation, and gas-driven melt segregation, may be common in crystal-rich magmas.

Double-Diffusive Convection During Growth of Halides and Selenides

NASA Technical Reports Server (NTRS)

Singh, N. B.; Su, Ching-Hua; Duval, Walter M. B.

2015-01-01

Heavy metal halides and selenides have unique properties which make them excellent materials for chemical, biological and radiological sensors. Recently it has been shown that selenohalides are even better materials than halides or selenides for gamma-ray detection. These materials also meet the strong needs of a wide band imaging technology to cover ultra-violet (UV), midwave infrared wavelength (MWIR) to very long wavelength infrared (VLWIR) region for hyperspectral imager components such as etalon filters and acousto-optic tunable filters (AO). In fact AOTF based imagers based on these materials have some superiority than imagers based on liquid crystals, FTIR, Fabry-Perot, grating, etalon, electro-optic modulation, piezoelectric and several other concepts. For example, broadband spectral and imagers have problems of processing large amount of information during real-time observation. Acousto-Optic Tunable Filter (AOTF) imagers are being developed to fill the need of reducing processing time of data, low cost operation and key to achieving the goal of covering long-wave infrared (LWIR). At the present time spectral imaging systems are based on the use of diffraction gratings are typically used in a pushbroom or whiskbroom mode. They are mostly used in systems and acquire large amounts of hyperspectral data that is processed off-line later. In contrast, acousto-optic tunable filter spectral imagers require very little image processing, providing new strategies for object recognition and tracking. They are ideally suited for tactical situations requiring immediate real-time image processing. But the performance of these imagers depends on the quality and homogeneity of acousto-optic materials. In addition for many systems requirements are so demanding that crystals up to sizes of 10 cm length are desired. We have studied several selenides and halide crystals for laser and AO imagers for MWIR and LWIR wavelength regions. We have grown and fabricated crystals of several materials such as mercurous chloride, mercurous bromide, mercurous iodide, lead chloride lead bromide, lead iodide, thallium arsenic selenide, gallium selenide, zince sulfide zinc selenide and several crystals into devices. We have used both Bridgman and physical vapor transport (PVT) crystal growth methods. In the past have examined PVT growth numerically for conditions where the boundary of the enclosure is subjected to a nonlinear thermal profile. Since past few months we have been working on binary and ternary materials such as selenoiodides, doped zinc sulfides and mercurous chloro bromide and mercurous bromoiodides. In the doped and ternary materials thermal and solutal convection play extremely important role during the growth. Very commonly striations and banding is observed. Our experiments have indicated that even in highly purified source materials, homogeneity in 1-g environment is very difficult. Some of our previous numerical studies have indicated that gravity level less than 10-4 (?-g) helps in controlling the thermosolutal convection. We will discuss the ground based growth results of HgClxBr(1-x) and ZnSe growth results for the mm thick to large cm size crystals. These results will be compared with our microgravity experiments performed with this class of materials. For both HgCl-HgBr and ZnS-ZnSe the lattice parameters of the mixtures obey Vagard's law in the studied composition range. The study demonstrates that properties are very anisotropic with crystal orientation, and performance achievement requires extremely careful fabrication to utilize highest figure of merit. In addition, some parameters such as crystal growth fabrication, processing time, resolution, field of view and efficiency will be described based on novel solid solution materials. It was predicted that very similar to the pure compounds solid solutions also have very large anisotropy, and very precise oriented and homogeneous bulk and thin film crystals is required to achieve maximum performance of laser or imagers. Some of the parameters controlling the homogeneity such as thermos-solutal convection driven forces can be controlled in microgravity environments to utilize the benefits of these unique materials.

Light-directing self-organized 1D and 3D chiral liquid crystalline nanostructures

NASA Astrophysics Data System (ADS)

Li, Quan; Bisoyi, Hari K.

2015-03-01

A brief overview of recent research and developments in our laboratory toward the fabrication and application of photoresponsive cholesteric liquid crystals, microshells and microdroplets, and blue phase is presented here. We have designed and synthesized a variety of light-driven chiral molecular switches and doped into achiral nematic liquid crystals hosts to obtain photoresponsive cholesteric liquid crystals and blue phase. By irradiation with light of suitable wavelengths, it has been possible to tune the reflection color of cholesteric liquid crystals and blue phase over a wide range across the visible spectrum. By doping upconversion nanoparticles into photoresponsive cholesteric liquid crystals, the reflection color tuning has been accomplished by irradiation with near infrared light. Moreover, cholesteric microshells have been fabricated which exhibit omnidirectional lasing. Similarly, cholesteric microdroplets have been found to display omnidirectional selective reflection and photonic cross communication. Wide-range non-mechanical beam steering has been demonstrated in a phoresponsive cholesteric liquid crystal sample. This short summary of our recent research work shows that the century old fascinating cholesteric liquid crystals have diverse opportunities to offer.

Modelling irradiation-induced softening in BCC iron by crystal plasticity approach

NASA Astrophysics Data System (ADS)

Xiao, Xiazi; Terentyev, Dmitry; Yu, Long; Song, Dingkun; Bakaev, A.; Duan, Huiling

2015-11-01

Crystal plasticity model (CPM) for BCC iron to account for radiation-induced strain softening is proposed. CPM is based on the plastically-driven and thermally-activated removal of dislocation loops. Atomistic simulations are applied to parameterize dislocation-defect interactions. Combining experimental microstructures, defect-hardening/absorption rules from atomistic simulations, and CPM fitted to properties of non-irradiated iron, the model achieves a good agreement with experimental data regarding radiation-induced strain softening and flow stress increase under neutron irradiation.

Mechanism of Ice Crystal Growth Habit and Shape Instability Development Below Water Saturation.

DTIC Science & Technology

1981-08-01

The temperature dependence of the mass growth rate of ice crystals at water saturation had been intepreted in terms of the varia- tions with temperature...copy film and recorded by use of a camera for subsequent analysis. 3.3.4.3 Wedge-shaped chamber. A new geometry was introduced to thermal diffusion...camera, equippped with an Olympus Winder 2, a motor driven film advancer, an Olympus Varimagni 3600 rotating eyepiece attachment, and a Dot Line

Dynamics and control of fast ion crystal splitting in segmented Paul traps (Open Access, Publisher’s Version)

DTIC Science & Technology

2014-07-09

operations, in addition to laser - or microwave-driven logic gates. Essential shuttling operations are splitting and merging of linear ion crystals. It is...from stray charges, laser induced charging of the trap [19], trap geometry imperfections or residual ponderomotive forces along the trap axis. The...transfer expressed as the mean phonon number Δ ω¯ = n E / f . We distinguish several regimes of laser –ion interaction: (i) if the vibrational

Mechanism for rapid passive-dynamic prey capture in a pitcher plant.

PubMed

Bauer, Ulrike; Paulin, Marion; Robert, Daniel; Sutton, Gregory P

2015-10-27

Plants use rapid movements to disperse seed, spores, or pollen and catch animal prey. Most rapid-release mechanisms only work once and, if repeatable, regaining the prerelease state is a slow and costly process. We present an encompassing mechanism for a rapid, repeatable, passive-dynamic motion used by a carnivorous pitcher plant to catch prey. Nepenthes gracilis uses the impact of rain drops to catapult insects from the underside of the canopy-like pitcher lid into the fluid-filled trap below. High-speed video and laser vibrometry revealed that the lid acts as a torsional spring system, driven by rain drops. During the initial downstroke, the tip of the lid reached peak velocities similar to fast animal motions and an order of magnitude faster than the snap traps of Venus flytraps and catapulting tentacles of the sundew Drosera glanduligera. In contrast to these active movements, the N. gracilis lid oscillation requires neither mechanical preloading nor metabolic energy, and its repeatability is only limited by the intensity and duration of rainfall. The underside of the lid is coated with friction-reducing wax crystals, making insects more vulnerable to perturbations. We show that the trapping success of N. gracilis relies on the combination of material stiffness adapted for momentum transfer and the antiadhesive properties of the wax crystal surface. The impact-driven oscillation of the N. gracilis lid represents a new kind of rapid plant movement with adaptive function. Our findings establish the existence of a continuum between active and passive trapping mechanisms in carnivorous plants.

Mechanism for rapid passive-dynamic prey capture in a pitcher plant

PubMed Central

Bauer, Ulrike; Paulin, Marion; Robert, Daniel; Sutton, Gregory P.

2015-01-01

Plants use rapid movements to disperse seed, spores, or pollen and catch animal prey. Most rapid-release mechanisms only work once and, if repeatable, regaining the prerelease state is a slow and costly process. We present an encompassing mechanism for a rapid, repeatable, passive-dynamic motion used by a carnivorous pitcher plant to catch prey. Nepenthes gracilis uses the impact of rain drops to catapult insects from the underside of the canopy-like pitcher lid into the fluid-filled trap below. High-speed video and laser vibrometry revealed that the lid acts as a torsional spring system, driven by rain drops. During the initial downstroke, the tip of the lid reached peak velocities similar to fast animal motions and an order of magnitude faster than the snap traps of Venus flytraps and catapulting tentacles of the sundew Drosera glanduligera. In contrast to these active movements, the N. gracilis lid oscillation requires neither mechanical preloading nor metabolic energy, and its repeatability is only limited by the intensity and duration of rainfall. The underside of the lid is coated with friction-reducing wax crystals, making insects more vulnerable to perturbations. We show that the trapping success of N. gracilis relies on the combination of material stiffness adapted for momentum transfer and the antiadhesive properties of the wax crystal surface. The impact-driven oscillation of the N. gracilis lid represents a new kind of rapid plant movement with adaptive function. Our findings establish the existence of a continuum between active and passive trapping mechanisms in carnivorous plants. PMID:26438874

Nonlinear Response of Layer Growth Dynamics in the Mixed Kinetics-Bulk-Transport Regime

NASA Technical Reports Server (NTRS)

Vekilov, Peter G.; Alexander, J. Iwan D.; Rosenberger, Franz

1996-01-01

In situ high-resolution interferometry on horizontal facets of the protein lysozyme reveal that the local growth rate R, vicinal slope p, and tangential (step) velocity v fluctuate by up to 80% of their average values. The time scale of these fluctuations, which occur under steady bulk transport conditions through the formation and decay of step bunches (macrosteps), is of the order of 10 min. The fluctuation amplitude of R increases with growth rate (supersaturation) and crystal size, while the amplitude of the v and p fluctuations changes relatively little. Based on a stability analysis for equidistant step trains in the mixed transport-interface-kinetics regime, we argue that the fluctuations originate from the coupling of bulk transport with nonlinear interface kinetics. Furthermore, step bunches moving across the interface in the direction of or opposite to the buoyancy-driven convective flow increase or decrease in height, respectively. This is in agreement with analytical treatments of the interaction of moving steps with solution flow. Major excursions in growth rate are associated with the formation of lattice defects (striations). We show that, in general, the system-dependent kinetic Peclet number, Pe(sub k) , i.e., the relative weight of bulk transport and interface kinetics in the control of the growth process, governs the step bunching dynamics. Since Pe(sub k) can be modified by either forced solution flow or suppression of buoyancy-driven convection under reduced gravity, this model provides a rationale for the choice of specific transport conditions to minimize the formation of compositional inhomogeneities under steady bulk nutrient crystallization conditions.

Surface interaction between cubic phase NaNbO3 nanoflowers and Ru nanoparticles for enhancing visible-light driven photosensitized photocatalysis

NASA Astrophysics Data System (ADS)

Chen, Wei; Hu, Yin; Ba, Mingwei

2018-03-01

Ru nanoparticles supported on perovskite NaNbO3 with cubic crystal structure and nanoflower-like morphology was prepared by a convenient solvothermal method combined with photo-deposition technique. Crystal structure, chemical component and surface valence states determined by XRD, XPS, TEM and SEM demonstrated the metastable cubic phase of perovskite NaNbO3, and its modified surface by Ru species. Optical and electrochemical analysis, such as UV-vis DRS, OTCS and EIS, indicated the excellent photoelectrochemical properties and the efficient electron transfer of the composites. Compared with naked and Ru-doped NaNbO3, the composite photocatalyst exhibited outstanding performance for the degradation of RhB under visible light irradiation due to the dye self-photosensitization and the surface interaction between Ru metal nanoparticles and semiconductor. In-situ reduction of surface Ru oxide species in the photocatalytic process assisted the further improvement of the photocatalytic activity and stability. Investigation of the main active species during the photocatalysis confirmed the efficient transfer of the photo-generated electrons and the positive effect of oxygen defects in NaNbO3. Finally, possible mechanism of the present visible-light driven photocatalysis was proposed in detail. This work provided an alternative strategy to enhance the visible-light photocatalytic efficiency of the catalyst with wide band gap on the basis of the synergistic effect of dye self-photosensitization, interaction between NaNbO3 and its surface Ru nanoparticles, and the "self-doping" of oxygen defects in NaNbO3.

Pentacene-based organic thin film transistors, integrated circuits, and active matrix displays on polymeric substrates

NASA Astrophysics Data System (ADS)

Sheraw, Christopher Duncan

2003-10-01

Organic thin film transistors are attractive candidates for a variety of low cost, large area commercial electronics including smart cards, RF identification tags, and flat panel displays. Of particular interest are high performance organic thin film transistors (TFTs) that can be fabricated on flexible polymeric substrates allowing low-cost, lightweight, rugged electronics such as flexible active matrix displays. This thesis reports pentacene organic thin film transistors fabricated on flexible polymeric substrates with record performance, the fastest photolithographically patterned organic TFT integrated circuits on polymeric substrates reported to date, and the fabrication of the organic TFT backplanes used to build the first organic TFT-driven active matrix liquid crystal display (AMLCD), also the first AMLCD on a flexible substrate, ever reported. In addition, the first investigation of functionalized pentacene derivatives used as the active layer in organic thin film transistors is reported. A low temperature (<110°C) process technology was developed allowing the fabrication of high performance organic TFTs, integrated circuits, and large TFT arrays on flexible polymeric substrates. This process includes the development of a novel water-based photolithographic active layer patterning process using polyvinyl alcohol that allows the patterning of organic semiconductor materials for elimination of active layer leakage current without causing device degradation. The small molecule aromatic hydrocarbon pentacene was used as the active layer material to fabricate organic TFTs on the polymeric material polyethylene naphthalate with field-effect mobility as large as 2.1 cm2/V-s and on/off current ratio of 108. These are the best values reported for organic TFTs on polymeric substrates and comparable to organic TFTs on rigid substrates. Analog and digital integrated circuits were also fabricated on polymeric substrates using pentacene TFTs with propagation delay as low as 38 musec and clocked digital circuits that operated at 1.1 kHz. These are the fastest photolithographically patterned organic TFT circuits on polymeric substrates reported to date. Finally, 16 x 16 pentacene TFT pixel arrays were fabricated on polymeric substrates and integrated with polymer dispersed liquid crystal to build an AMLCD. The pixel arrays showed good optical response to changing data signals when standard quarter-VGA display waveforms were applied. This result marks the first organic TFT-driven active matrix liquid crystal display ever reported as well as the first active matrix liquid crystal display on a flexible polymeric substrate. Lastly, functionalized pentacene derivatives were used as the active layer in organic thin film transistor materials. Functional groups were added to the pentacene molecule to influence the molecular ordering so that the amount of pi-orbital overlap would be increased allowing the potential for improved field-effect mobility. The functionalization of these materials also improves solubility allowing for the possibility of solution-processed devices and increased oxidative stability. Organic thin film transistors were fabricated using five different functionalized pentacene active layers. Devices based on the pentacene derivative triisopropylsilyl pentacene were found to have the best performance with field-effect mobility as large as 0.4 cm 2/V-s.

Dynamics of Transformation from Platinum Icosahedral Nanoparticles to Larger FCC Crystal at Millisecond Time Resolution

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

Gao, Wenpei; Wu, Jianbo; Yoon, Aram

Atomic motion at grain boundaries is essential to microstructure development, growth and stability of catalysts and other nanostructured materials. However, boundary atomic motion is often too fast to observe in a conventional transmission electron microscope (TEM) and too slow for ultrafast electron microscopy. We report on the entire transformation process of strained Pt icosahedral nanoparticles (ICNPs) into larger FCC crystals, captured at 2.5 ms time resolution using a fast electron camera. Results show slow diffusive dislocation motion at nm/s inside ICNPs and fast surface transformation at μm/s. By characterizing nanoparticle strain, we show that the fast transformation is driven bymore » inhomogeneous surface stress. And interaction with pre-existing defects led to the slowdown of the transformation front inside the nanoparticles. Particle coalescence, assisted by oxygen-induced surface migration at T ≥ 300°C, also played a critical role. Thus by studying transformation in the Pt ICNPs at high time and spatial resolution, we obtain critical insights into the transformation mechanisms in strained Pt nanoparticles.« less

Formation of a new archetypal Metal-Organic Framework from a simple monatomic liquid

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

Metere, Alfredo, E-mail: alfredo.metere@mmk.su.se; Oleynikov, Peter; Dzugutov, Mikhail

2014-12-21

We report a molecular-dynamics simulation of a single-component system of particles interacting via a spherically symmetric potential that is found to form, upon cooling from a liquid state, a low-density porous crystalline phase. Its structure analysis demonstrates that the crystal can be described by a net with a topology that belongs to the class of topologies characteristic of the Metal-Organic Frameworks (MOFs). The observed net is new, and it is now included in the Reticular Chemistry Structure Resource database. The observation that a net topology characteristic of MOF crystals, which are known to be formed by a coordination-driven self-assembly process,more » can be reproduced by a thermodynamically stable configuration of a simple single-component system of particles opens a possibility of using these models in studies of MOF nets. It also indicates that structures with MOF topology, as well as other low-density porous crystalline structures can possibly be produced in colloidal systems of spherical particles, with an appropriate tuning of interparticle interaction.« less

Programmable Colloidal Approach to Hierarchical Structures of Methylammonium Lead Bromide Perovskite Nanocrystals with Bright Photoluminescent Properties

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

Teunis, Meghan B.; Johnson, Merrell A.; Muhoberac, Barry B.

Here, systematic tailoring of nanocrystal architecture could provide unprecedented control over their electronic, photophysical, and charge transport properties for a variety of applications. However, at present, manipulation of the shape of perovskite nanocrystals is done mostly by trial-and-error-based experimental approaches. Here, we report systematic colloidal synthetic strategies to prepare methylammonium lead bromide quantum platelets and quantum cubes. In order to control the nucleation and growth processes of these nano crystals, we appropriately manipulate the solvent system, surface ligand chemistry, and reaction temperature causing syntheses into anisotropic shapes. We demonstrate that both the presence of chlorinated solvent and a long chainmore » aliphatic amine in the reaction mixture are crucial for the formation of ultrathin quantum platelets (similar to 1.5 nm in thickness), which is driven by mesoscale-assisted growth of spherical seed nanocrystals (similar to 1.6 nm in diameter) through attachment of monomers onto selective crystal facets. A combined surface and structural characterization, along with small-angle X-ray scattering analysis, confirm that the long hydrocarbon of the aliphatic amine is responsible for the well ordered hierarchical stacking of the quantum platelets of 3.5 nm separation. In contrast, the formation of similar to 12 nm edge-length quantum cubes is a kinetically driven process in which a high flux of monomers is achieved by supplying thermal energy. The photoluminescence quantum yield of our quantum platelets (similar to 52%) is nearly 2-fold higher than quantum cubes. Moreover, the quantum platelets display a lower nonradiative rate constant than that found with quantum cubes, which suggests less surface trap states. Together, our research has the potential both to improve the design of synthetic methods for programmable control of shape and assembly and to provide insight into optoelectronic properties of these materials for solid-state device fabrication, e.g., light-emitting diodes, solar cells, and lasing materials.« less

Programmable Colloidal Approach to Hierarchical Structures of Methylammonium Lead Bromide Perovskite Nanocrystals with Bright Photoluminescent Properties

DOE PAGES

Teunis, Meghan B.; Johnson, Merrell A.; Muhoberac, Barry B.; ...

2017-04-05

Here, systematic tailoring of nanocrystal architecture could provide unprecedented control over their electronic, photophysical, and charge transport properties for a variety of applications. However, at present, manipulation of the shape of perovskite nanocrystals is done mostly by trial-and-error-based experimental approaches. Here, we report systematic colloidal synthetic strategies to prepare methylammonium lead bromide quantum platelets and quantum cubes. In order to control the nucleation and growth processes of these nano crystals, we appropriately manipulate the solvent system, surface ligand chemistry, and reaction temperature causing syntheses into anisotropic shapes. We demonstrate that both the presence of chlorinated solvent and a long chainmore » aliphatic amine in the reaction mixture are crucial for the formation of ultrathin quantum platelets (similar to 1.5 nm in thickness), which is driven by mesoscale-assisted growth of spherical seed nanocrystals (similar to 1.6 nm in diameter) through attachment of monomers onto selective crystal facets. A combined surface and structural characterization, along with small-angle X-ray scattering analysis, confirm that the long hydrocarbon of the aliphatic amine is responsible for the well ordered hierarchical stacking of the quantum platelets of 3.5 nm separation. In contrast, the formation of similar to 12 nm edge-length quantum cubes is a kinetically driven process in which a high flux of monomers is achieved by supplying thermal energy. The photoluminescence quantum yield of our quantum platelets (similar to 52%) is nearly 2-fold higher than quantum cubes. Moreover, the quantum platelets display a lower nonradiative rate constant than that found with quantum cubes, which suggests less surface trap states. Together, our research has the potential both to improve the design of synthetic methods for programmable control of shape and assembly and to provide insight into optoelectronic properties of these materials for solid-state device fabrication, e.g., light-emitting diodes, solar cells, and lasing materials.« less

Excitation Spectra in Crystal Plasticity

NASA Astrophysics Data System (ADS)

Ovaska, Markus; Lehtinen, Arttu; Alava, Mikko J.; Laurson, Lasse; Zapperi, Stefano

2017-12-01

Plastically deforming crystals exhibit scale-free fluctuations that are similar to those observed in driven disordered elastic systems close to depinning, but the nature of the yielding critical point is still debated. Here, we study the marginal stability of ensembles of dislocations and compute their excitation spectrum in two and three dimensions. Our results show the presence of a singularity in the distribution of excitation stresses, i.e., the stress needed to make a localized region unstable, that is remarkably similar to the one measured in amorphous plasticity and spin glasses. These results allow us to understand recent observations of extended criticality in bursty crystal plasticity and explain how they originate from the presence of a pseudogap in the excitation spectrum.

Investigation of Vibrational Control of the Bridgman Crystal Growth Technique

NASA Technical Reports Server (NTRS)

Fedoseyev, Alexandre I.; Alexander, J. I. D.; Feigelson, R. S.; Zharikov, E. V.; Ostrogorsky, A. G.; Marin, C.; Volz, M. P.; Kansa, E. J.; Friedman, M. J.

2001-01-01

The character of natural buoyant convection in rigidly contained inhomogeneous fluids can be drastically altered by vibrating the container. Vibrations are expected to play a crucial influence on heat and mass transfer onboard the International Space Station (ISS). It is becoming evident that substantial vibrations will exist on the ISS in the wide frequency spectrum. In general, vibrational flows are very complex and governed by many parameters. In many terrestrial crystal growth situations, convective transport of heat and constituent components is dominated by buoyancy driven convection arising from compositional and thermal gradients. Thus, it may be concluded that vibro-convective flow can potentially be used to influence and even control transport in some crystal growth situations.

Aerosol-cloud interactions in Arctic mixed-phase stratocumulus

NASA Astrophysics Data System (ADS)

Solomon, A.

2017-12-01

Reliable climate projections require realistic simulations of Arctic cloud feedbacks. Of particular importance is accurately simulating Arctic mixed-phase stratocumuli (AMPS), which are ubiquitous and play an important role in regional climate due to their impact on the surface energy budget and atmospheric boundary layer structure through cloud-driven turbulence, radiative forcing, and precipitation. AMPS are challenging to model due to uncertainties in ice microphysical processes that determine phase partitioning between ice and radiatively important cloud liquid water. Since temperatures in AMPS are too warm for homogenous ice nucleation, ice must form through heterogeneous nucleation. In this presentation we discuss a relatively unexplored source of ice production-recycling of ice nuclei in regions of ice subsaturation. AMPS frequently have ice-subsaturated air near the cloud-driven mixed-layer base where falling ice crystals can sublimate, leaving behind IN. This study provides an idealized framework to understand feedbacks between dynamics and microphysics that maintain phase-partitioning in AMPS. In addition, the results of this study provide insight into the mechanisms and feedbacks that may maintain cloud ice in AMPS even when entrainment of IN at the mixed-layer boundaries is weak.

Coarse-grained simulations of protein-protein association: an energy landscape perspective.

PubMed

Ravikumar, Krishnakumar M; Huang, Wei; Yang, Sichun

2012-08-22

Understanding protein-protein association is crucial in revealing the molecular basis of many biological processes. Here, we describe a theoretical simulation pipeline to study protein-protein association from an energy landscape perspective. First, a coarse-grained model is implemented and its applications are demonstrated via molecular dynamics simulations for several protein complexes. Second, an enhanced search method is used to efficiently sample a broad range of protein conformations. Third, multiple conformations are identified and clustered from simulation data and further projected on a three-dimensional globe specifying protein orientations and interacting energies. Results from several complexes indicate that the crystal-like conformation is favorable on the energy landscape even if the landscape is relatively rugged with metastable conformations. A closer examination on molecular forces shows that the formation of associated protein complexes can be primarily electrostatics-driven, hydrophobics-driven, or a combination of both in stabilizing specific binding interfaces. Taken together, these results suggest that the coarse-grained simulations and analyses provide an alternative toolset to study protein-protein association occurring in functional biomolecular complexes. Copyright © 2012 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Evaporation-Driven Deposition of ITO Thin Films from Aqueous Solutions with Low-Speed Dip-Coating Technique.

PubMed

Ito, Takashi; Uchiyama, Hiroaki; Kozuka, Hiromitsu

2017-05-30

We suggest a novel wet coating process for preparing indium tin oxide (ITO) films from simple solutions containing only metal salts and water via evaporation-driven film deposition during low-speed dip coating. Homogeneous ITO precursor films were deposited on silica glass substrates from the aqueous solutions containing In(NO 3 ) 3 ·3H 2 O and SnCl 4 ·5H 2 O by dip coating at substrate withdrawal speeds of 0.20-0.50 cm min -1 and then crystallized by the heat treatment at 500-800 °C for 10-60 min under N 2 gas flow of 0.5 L min -1 . The ITO films heated at 600 °C for 30 min had a high optical transparency in the visible range and a good electrical conductivity. Multiple-coating ITO films obtained with five-times dip coating exhibited the lowest sheet (ρ S ) and volume (ρ V ) resistivities of 188 Ω sq -1 and 4.23 × 10 -3 Ω cm, respectively.

Coarse-Grained Simulations of Protein-Protein Association: An Energy Landscape Perspective

PubMed Central

Ravikumar, Krishnakumar M.; Huang, Wei; Yang, Sichun

2012-01-01

Understanding protein-protein association is crucial in revealing the molecular basis of many biological processes. Here, we describe a theoretical simulation pipeline to study protein-protein association from an energy landscape perspective. First, a coarse-grained model is implemented and its applications are demonstrated via molecular dynamics simulations for several protein complexes. Second, an enhanced search method is used to efficiently sample a broad range of protein conformations. Third, multiple conformations are identified and clustered from simulation data and further projected on a three-dimensional globe specifying protein orientations and interacting energies. Results from several complexes indicate that the crystal-like conformation is favorable on the energy landscape even if the landscape is relatively rugged with metastable conformations. A closer examination on molecular forces shows that the formation of associated protein complexes can be primarily electrostatics-driven, hydrophobics-driven, or a combination of both in stabilizing specific binding interfaces. Taken together, these results suggest that the coarse-grained simulations and analyses provide an alternative toolset to study protein-protein association occurring in functional biomolecular complexes. PMID:22947945

Texturing of high T(sub c) superconducting polycrystalline fibers/wires by laser-driven directional solidification in an thermal gradient

NASA Technical Reports Server (NTRS)

Varshney, Usha; Eichelberger, B. Davis, III

1995-01-01

This paper summarizes the technique of laser-driven directional solidification in a controlled thermal gradient of yttria stabilized zirconia core coated Y-Ba-Cu-O materials to produce textured high T(sub c) superconducting polycrystalline fibers/wires with improved critical current densities in the extended range of magnetic fields at temperatures greater than 77 K. The approach involves laser heating to minimize phase segregation by heating very rapidly through the two-phase incongruent melt region to the single phase melt region and directionally solidifying in a controlled thermal gradient to achieve highly textured grains in the fiber axis direction. The technique offers a higher grain growth rate and a lower thermal budget compared with a conventional thermal gradient and is amenable as a continuous process for improving the J(sub c) of high T(sub c) superconducting polycrystalline fibers/wires. The technique has the advantage of suppressing weak-link behavior by orientation of crystals, formation of dense structures with enhanced connectivity, formation of fewer and cleaner grain boundaries, and minimization of phase segregation in the incongruent melt region.

A liquid crystal microlens array with aluminum and graphene electrodes for plenoptic imaging

NASA Astrophysics Data System (ADS)

Lei, Yu; Tong, Qing; Luo, Jun; Zhang, Xinyu; Sang, Hongshi; Xie, Changsheng

2015-12-01

Currently, several semiconducting oxide materials such as typical indium tin oxide are widely used as the transparent conducting electrodes (TCEs) in liquid crystal microlens arrays. In this paper, we fabricate a liquid crystal microlens array using graphene rather than semiconducting oxides as the TCE. Common optical experiments are carried out to acquire the focusing features of the graphene-based liquid crystal microlens array (GLCMLA) driven electrically. The acquired optical fields show that the GLCMLA can converge incident collimating lights efficiently. The relationship between the focal length and the applied voltage signal is presented. Then the GLCMLA is deployed in a plenoptic camera prototype and the raw images are acquired so as to verify their imaging capability. Our experiments demonstrate that graphene has already presented a broad application prospect in the area of adaptive optics.

Label-free, real-time interaction and adsorption analysis 2: quartz crystal microbalance.

PubMed

Fee, Conan J

2013-01-01

In this chapter, a second biosensor technique is described: the quartz crystal microbalance (QCM). The quartz crystal microbalance is a physical technique that detects changes in the resonance frequency of an electrically driven quartz crystal with changes in mass. Unlike surface plasmon resonance (SPR), QCM is affected by both the water that may be associated with the adsorbed layer and by conformational changes in the adsorbed species, while SPR is insensitive to both effects. Thus QCM can both corroborate the findings of an SPR experiment and provide some complementary information. Also, the QCM surface is highly versatile and can range from plain quartz, through gold and other metal surfaces (e.g., titanium or stainless steel) to polymeric materials. Thus, the QCM technique has wide utility in tracking interactions with a variety of materials.

Mass sensor based on split-nanobeam optomechanical oscillator

NASA Astrophysics Data System (ADS)

Zhang, Yeping; Ai, Jie; Xiang, Yanjun; He, Qinghua; Li, Tao; Ma, Jingfang

2016-03-01

Mass sensing based on monitoring the frequency shifts induced by added mass in oscillators is a well-known and widely used technique. The optomechanical crystal cavity has strong interaction between optical mode and mechanical mode. Radiation pressure driven optomechanical crystal cavity are excellent candidates for mass detection due to their simplicity, sensitivity and all optical operation. In an optomechanical crystal cavity, a high quality factor optical mode simultaneously serves as an efficient actuator and a sensitive probe for precise monitoring the mechanical frequency change of the cavity structure. Here, a split-nanobeam optomechanical crystal cavity is proposed, the sensing resolution as small as 0.33ag (1ag=10-21kg) and the frequency shift is more than 30MHz. This is important and promising for achieve ultimate-precision mass sensing including proteins and other molecules.

Crystallization Experiments in the MgO-CO2-H2O system: Role of Amorphous Magnesium Carbonate Precursors in Magnesium Carbonate Hydrated Phases and Morphologies in Low Temperature Hydrothermal Fluids

NASA Astrophysics Data System (ADS)

Giampouras, Manolis; Garcia-Ruiz, Juan Manuel; Garrido, Carlos J.

2017-04-01

Numerous forms of hydrated or basic magnesium carbonates occur in the complex MgO-CO2-H2O system. Mineral saturation states from low temperature hydrothermal fluids in Semail Ophiolite (Oman), Prony Bay (New Caledonia) and Lost City hydrothermal field (mid-Atlantic ridge) strongly indicate the presence of magnesium hydroxy-carbonate hydrates (e.g. hydromagnesite) and magnesium hydroxides (brucite). Study of formation mechanisms and morphological features of minerals forming in the MgO-CO2-H2O system could give insights into serpentinization-driven, hydrothermal, alkaline environments, which are related to early Earth conditions. Temperature, hydration degree, pH and fluid composition are crucial factors regarding the formation, coexistence and transformation of such mineral phases. The rate of supersaturation, on the other hand, is a fundamental parameter to understand nucleation and crystal growth processes. All these parameters can be examined in a solution using different crystallization techniques. In the present study, we applied different crystallization techniques to synthesize and monitor the crystallization of Mg-bearing carbonates and hydroxides under abiotic conditions. Various crystallization techniques (counter-diffusion, vapor diffusion and unseeded solution mixing) were used to screen the formation conditions of each phase, transformation processes and structural development. Mineral and textural characterization of the different synthesized phases were carried out by X-ray diffraction (XRD), Raman spectroscopy and scanning electron microscopy coupled to dispersive energy spectroscopy (FE-SEM-EDS). Experimental investigation of the effect of pH level and silica content under variable reactant concentrations revealed the importance of Amorphous Magnesium Carbonate (AMC) in the formation of hydroxy-carbonate phases (hydromagnesite and dypingite). Micro-structural resemblance between AMC precursors and later stage crystalline phases highlights the critical role of internal molecule re-organization to form crystalline structures. Aggregation of AMC spherulites triggers biomimetic morphologies forming curling laminar structures and rings. The size and number of nesquehonite (MgCO3.3H2O) crystals are controlled by pH and Mg2+ ions at pH < 9. As pH increases, nesquehonite transforms to spherical, rosette-like dypingite and/or hydromagnesite. Crystallization experiments within silica gel impedes the normal growth of prismatic nesquehonite crystals and generates peculiar dendritic crystalline structures. Finally, vapor diffusion techniques resulted in synthesis of NH4+-bearing hydrated compounds after ammonium incorporation when [NH4+]/[Mg2+] ≥ 1 and ≥ 0.5M [NH4+]. Funding: We acknowledge funding from the People programme (Marie Curie Actions - ITN) of the European Union FP7 under REA Grant Agreement n˚ 608001.

Adaptation of in-situ microscopy for crystallization processes

NASA Astrophysics Data System (ADS)

Bluma, A.; Höpfner, T.; Rudolph, G.; Lindner, P.; Beutel, S.; Hitzmann, B.; Scheper, T.

2009-08-01

In biotechnological and pharmaceutical engineering, the study of crystallization processes gains importance. An efficient analytical inline sensor could help to improve the knowledge about these processes in order to increase efficiency and yields. The in-situ microscope (ISM) is an optical sensor developed for the monitoring of bioprocesses. A new application for this sensor is the monitoring in downstream processes, e.g. the crystallization of proteins and other organic compounds. This contribution shows new aspects of using in-situ microscopy to monitor crystallization processes. Crystals of different chemical compounds were precipitated from supersaturated solutions and the crystal growth was monitored. Exemplified morphological properties and different forms of crystals could be distinguished on the basis of offline experiments. For inline monitoring of crystallization processes, a special 0.5 L stirred tank reactor was developed and equipped with the in-situ microscope. This reactor was utilized to carry out batch experiments for crystallizations of O-acetylsalicyclic acid (ASS) and hen egg white lysozyme (HEWL). During the whole crystallization process, the in-situ microscope system acquired images directly from the crystallization broth. For the data evaluation, an image analysis algorithm was developed and implemented in the microscope analysis software.

Double-driven shield capacitive type proximity sensor

NASA Technical Reports Server (NTRS)

Vranish, John M. (Inventor)

1993-01-01

A capacity type proximity sensor comprised of a capacitance type sensor, a capacitance type reference, and two independent and mutually opposing driven shields respectively adjacent to the sensor and reference and which are coupled in an electrical bridge circuit configuration and driven by a single frequency crystal controlled oscillator is presented. The bridge circuit additionally includes a pair of fixed electrical impedance elements which form adjacent arms of the bridge and which comprise either a pair of precision resistances or capacitors. Detection of bridge unbalance provides an indication of the mutual proximity between an object and the sensor. Drift compensation is also utilized to improve performance and thus increase sensor range and sensitivity.

Periodic changes in effluent chemistry at cold-water geyser: Crystal geyser in Utah

NASA Astrophysics Data System (ADS)

Han, Weon Shik; Watson, Z. T.; Kampman, Niko; Grundl, Tim; Graham, Jack P.; Keating, Elizabeth H.

2017-07-01

Crystal geyser is a CO2-driven cold-water geyser which was originally drilled in the late 1930's in Green River, Utah. Utilizing a suite of temporal groundwater sample datasets, in situ monitoring of temperature, pressure, pH and electrical conductivity from multiple field trips to Crystal geyser from 2007 to 2014, periodic trends in groundwater chemistry from the geyser effluent were identified. Based on chemical characteristics, the primary sourcing aquifers are characterized to be both the Entrada and Navajo Sandstones with a minor contribution from Paradox Formation brine. The single eruption cycle at Crystal geyser lasted over four days and was composed of four parts: Minor Eruption (mEP), Major Eruption (MEP), Aftershock Eruption (Ae) and Recharge (R). During the single eruption cycle, dissolved ionic species vary 0-44% even though the degree of changes for individual ions are different. Generally, Na+, K+, Cl- and SO42- regularly decrease at the onset and throughout the MEP. These species then increase in concentration during the mEP. Conversely, Ca2+, Mg2+, Fe2+ and Sr2+ increase and decrease in concentration during the MEP and mEP, respectively. The geochemical inverse modeling with PHREEQC was conducted to characterize the contribution from three end-members (Entrada Sandstone, Navajo Sandstone and Paradox Formation brine) to the resulting Crystal geyser effluent. Results of the inverse modeling showed that, during the mEP, the Navajo, Entrada and brine supplied 62-65%, 36-33% and 1-2%, respectively. During the MEP, the contribution shifted to 53-56%, 45-42% and 1-2% for the Navajo, Entrada and Paradox Formation brine, respectively. The changes in effluent characteristics further support the hypothesis by Watson et al. (2014) that the mEP and MEP are driven by different sources and mechanisms.

Pressure driven spin transition in siderite and magnesiosiderite single crystals.

PubMed

Weis, Christopher; Sternemann, Christian; Cerantola, Valerio; Sahle, Christoph J; Spiekermann, Georg; Harder, Manuel; Forov, Yury; Kononov, Alexander; Sakrowski, Robin; Yavaş, Hasan; Tolan, Metin; Wilke, Max

2017-11-28

Iron-bearing carbonates are candidate phases for carbon storage in the deep Earth and may play an important role for the Earth's carbon cycle. To elucidate the properties of carbonates at conditions of the deep Earth, we investigated the pressure driven magnetic high spin to low spin transition of synthetic siderite FeCO 3 and magnesiosiderite (Mg 0.74 Fe 0.26 )CO 3 single crystals for pressures up to 57 GPa using diamond anvil cells and x-ray Raman scattering spectroscopy to directly probe the iron 3d electron configuration. An extremely sharp transition for siderite single crystal occurs at a notably low pressure of 40.4 ± 0.1 GPa with a transition width of 0.7 GPa when using the very soft pressure medium helium. In contrast, we observe a broadening of the transition width to 4.4 GPa for siderite with a surprising additional shift of the transition pressure to 44.3 ± 0.4 GPa when argon is used as pressure medium. The difference is assigned to larger pressure gradients in case of argon. For magnesiosiderite loaded with argon, the transition occurs at 44.8 ± 0.8 GPa showing similar width as siderite. Hence, no compositional effect on the spin transition pressure is observed. The spectra measured within the spin crossover regime indicate coexistence of regions of pure high- and low-spin configuration within the single crystal.

Optical Trapping of Ion Coulomb Crystals

NASA Astrophysics Data System (ADS)

Schmidt, Julian; Lambrecht, Alexander; Weckesser, Pascal; Debatin, Markus; Karpa, Leon; Schaetz, Tobias

2018-04-01

The electronic and motional degrees of freedom of trapped ions can be controlled and coherently coupled on the level of individual quanta. Assembling complex quantum systems ion by ion while keeping this unique level of control remains a challenging task. For many applications, linear chains of ions in conventional traps are ideally suited to address this problem. However, driven motion due to the magnetic or radio-frequency electric trapping fields sometimes limits the performance in one dimension and severely affects the extension to higher-dimensional systems. Here, we report on the trapping of multiple barium ions in a single-beam optical dipole trap without radio-frequency or additional magnetic fields. We study the persistence of order in ensembles of up to six ions within the optical trap, measure their temperature, and conclude that the ions form a linear chain, commonly called a one-dimensional Coulomb crystal. As a proof-of-concept demonstration, we access the collective motion and perform spectrometry of the normal modes in the optical trap. Our system provides a platform that is free of driven motion and combines advantages of optical trapping, such as state-dependent confinement and nanoscale potentials, with the desirable properties of crystals of trapped ions, such as long-range interactions featuring collective motion. Starting with small numbers of ions, it has been proposed that these properties would allow the experimental study of many-body physics and the onset of structural quantum phase transitions between one- and two-dimensional crystals.

Fluctuations in diffusion processes in microgravity.

PubMed

Mazzoni, Stefano; Cerbino, Roberto; Vailati, Alberto; Giglio, Marzio

2006-09-01

It has been shown recently that diffusion processes exhibit giant nonequilibrium fluctuations (NEFs). That is, the diffusing fronts display corrugations whose length scale ranges from the molecular to the macroscopic one. The amplitude of the NEF diverges following a power law behavior proportional to q(-4) (where q is the wave vector). However, fluctuations of wave number smaller than a critical "rolloff" wave vector are quenched by the presence of gravity. It is therefore expected that in microgravity conditions, the amplitude of the NEF should be boosted by the absence of the buoyancy-driven restoring force. This may affect any diffusion process performed in microgravity, such as the crystallization of a protein solution induced by the diffusion of a salt buffer. The aim of GRADFLEX (GRAdient-Driven FLuctuation EXperiment), a joint project of ESA and NASA, is to investigate the presence of NEFs arising in a diffusion process under microgravity conditions. The project consists of two experiments. One is carried out by UNIMI (University of Milan) and INFM (Istituto Nazionale per la Fisica della Materia) and is focused on NEF in a concentration diffusion process. The other experiment is performed by UCSB (University of California at Santa Barbara) concerning temperature NEF in a simple fluid. In the UNIMI part of the GRADFLEX experimental setup, NEFs are induced in a binary mixture by means of the Soret effect. The diagnostic method is an all-optical quantitative shadowgraph technique. The power spectrum of the induced NEFs is obtained by the processing of the shadowgraph images. A detailed description of the experimental apparatus as well as the ground-based experimental results is presented here for the UNIMI-INFM experiment. The GRADFLEX payload is scheduled to fly on the FOTON M3 capsule in April 2007.

The effect of a solid surface on the segregation and melting of salt hydrates.

PubMed

Zhang, Yu; Anim-Danso, Emmanuel; Dhinojwala, Ali

2014-10-22

Considering the importance of salt and water on earth, the crystallization of salt hydrates next to solid surfaces has important implications in physical and biological sciences. Heterogeneous nucleation is driven by surface interactions, but our understanding of hydrate formation near surfaces is limited. Here, we have studied the hydrate formation of three commonly prevalent salts, MgCl2, CaCl2, and NaCl, next to a sapphire substrate using surface sensitive infrared-visible sum frequency generation (SFG) spectroscopy. SFG spectroscopy can detect the crystallization and melting of salt hydrates at the interface by observing the changes in the intensity and the location of the cocrystallized water hydroxyl peaks (3200-3600 cm(-1)). The results indicate that the surface crystal structures of these three hydrates are similar to those in the bulk. For the NaCl solution, the brine solution is segregated next to the sapphire substrate after the formation of the ice phase. In contrast, the MgCl2 and CaCl2 surface hydrate crystals are interdispersed with nanometer-size ice crystals. The nanosize ice crystals melt at much lower temperatures than bulk ice crystals. For NaCl and MgCl2 solution, the NaCl hydrates prefer to crystallize next to the sapphire substrate instead of the ice crystals and MgCl2 hydrates.

Protein crystal growth (5-IML-1)

NASA Technical Reports Server (NTRS)

Bugg, Charles E.

1992-01-01

Proteins (enzymes, hormones, immunoglobulins) account for 50 pct. or more of the dry weight of most living systems. A detailed understanding of the structural makeup of a protein is essential to any systematic research pertaining to it. Most macromolecules are extremely difficult to crystallize, and many otherwise exciting projects have terminated at the crystal growth stage. In principle, there are several aspects of microgravity that might be exploited to enhance protein crystal growth. The major factor is the elimination of density driven convective flow. Other factors that can be controlled in the absence of gravity is the sedimentation of growing crystals in a gravitational field, and the potential advantage of doing containerless crystal growth. As a result of these theories and facts, one can readily understand why the microgravity environment of an Earth orbiting vehicle seems to offer unique opportunities for the protein crystallographer. This perception has led to the establishment of the Protein Crystal Growth in a Microgravity Environment (PCG/ME) project. The results of experiments already performed during STS missions have in many cases resulted in large protein crystals which are structurally correct. Thus, the near term objective of the PCG/ME project is to continue to improve the techniques, procedures, and hardware systems used to grow protein crystals in Earth orbit.

Computer simulation: A modern day crystal ball?

NASA Technical Reports Server (NTRS)

Sham, Michael; Siprelle, Andrew

1994-01-01

It has long been the desire of managers to be able to look into the future and predict the outcome of decisions. With the advent of computer simulation and the tremendous capability provided by personal computers, that desire can now be realized. This paper presents an overview of computer simulation and modeling, and discusses the capabilities of Extend. Extend is an iconic-driven Macintosh-based software tool that brings the power of simulation to the average computer user. An example of an Extend based model is presented in the form of the Space Transportation System (STS) Processing Model. The STS Processing Model produces eight shuttle launches per year, yet it takes only about ten minutes to run. In addition, statistical data such as facility utilization, wait times, and processing bottlenecks are produced. The addition or deletion of resources, such as orbiters or facilities, can be easily modeled and their impact analyzed. Through the use of computer simulation, it is possible to look into the future to see the impact of today's decisions.

The large-scale process of microbial carbonate precipitation for nickel remediation from an industrial soil.

PubMed

Zhu, Xuejiao; Li, Weila; Zhan, Lu; Huang, Minsheng; Zhang, Qiuzhuo; Achal, Varenyam

2016-12-01

Microbial carbonate precipitation is known as an efficient process for the remediation of heavy metals from contaminated soils. In the present study, a urease positive bacterial isolate, identified as Bacillus cereus NS4 through 16S rDNA sequencing, was utilized on a large scale to remove nickel from industrial soil contaminated by the battery industry. The soil was highly contaminated with an initial total nickel concentration of approximately 900 mg kg -1 . The soluble-exchangeable fraction was reduced to 38 mg kg -1 after treatment. The primary objective of metal stabilization was achieved by reducing the bioavailability through immobilizing the nickel in the urease-driven carbonate precipitation. The nickel removal in the soils contributed to the transformation of nickel from mobile species into stable biominerals identified as calcite, vaterite, aragonite and nickelous carbonate when analyzed under XRD. It was proven that during precipitation of calcite, Ni 2+ with an ion radius close to Ca 2+ was incorporated into the CaCO 3 crystal. The biominerals were also characterized by using SEM-EDS to observe the crystal shape and Raman-FTIR spectroscopy to predict responsible bonding during bioremediation with respect to Ni immobilization. The electronic structure and chemical-state information of the detected elements during MICP bioremediation process was studied by XPS. This is the first study in which microbial carbonate precipitation was used for the large-scale remediation of metal-contaminated industrial soil. Copyright © 2016 Elsevier Ltd. All rights reserved.

Hund's Rule-Driven Dzyaloshinskii-Moriya Interaction at 3d-5d Interfaces.

PubMed

Belabbes, A; Bihlmayer, G; Bechstedt, F; Blügel, S; Manchon, A

2016-12-09

Using relativistic first-principles calculations, we show that the chemical trend of the Dzyaloshinskii-Moriya interaction (DMI) in 3d-5d ultrathin films follows Hund's first rule with a tendency similar to their magnetic moments in either the unsupported 3d monolayers or 3d-5d interfaces. We demonstrate that, besides the spin-orbit coupling (SOC) effect in inversion asymmetric noncollinear magnetic systems, the driving force is the 3d orbital occupations and their spin-flip mixing processes with the spin-orbit active 5d states control directly the sign and magnitude of the DMI. The magnetic chirality changes are discussed in the light of the interplay between SOC, Hund's first rule, and the crystal-field splitting of d orbitals.

Correlation-driven insulator-metal transition in near-ideal vanadium dioxide films

DOE PAGES

Gray, A. X.; Jeong, J.; Aetukuri, N. P.; ...

2016-03-18

We use polarization- and temperature-dependent x-ray absorption spectroscopy, in combination with photoelectron microscopy, x-ray diffraction, and electronic transport measurements, to study the driving force behind the insulator-metal transition in VO 2. We show that both the collapse of the insulating gap and the concomitant change in crystal symmetry in homogeneously strained single-crystalline VO 2 films are preceded by the purely electronic softening of Coulomb correlations within V-V singlet dimers. Furthermore, this process starts 7 K (±0.3 K) below the transition temperature, as conventionally defined by electronic transport and x-ray diffraction measurements, and sets the energy scale for driving the near-room-temperaturemore » insulator-metal transition in this technologically promising material.« less

Point Defect Distributions in ZnSe Crystals: Effects of Gravity Vector Orientation During Physical Vapor Transport Growth

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Feth, S.; Hirschfeld, D.; Smith, T. M.; Wang, Ling Jun; Volz, M. P.; Lehoczky, S. L.

1999-01-01

ZnSe crystals were grown by the physical vapor transport technique under horizontal and vertical (stabilized and destabilized) configurations. Secondary ion mass spectroscopy and photoluminescence measurements were performed on the grown ZnSe samples to map the distributions of [Si], [Fe], [Cu], [Al] and [Li or Na] impurities as well as Zn vacancy, [V (sub Zn)]. Annealings of ZnSe under controlled Zn pressures were studied to correlate the measured photoluminescence emission intensity to the equilibrium Zn partial pressure. In the horizontal grown crystals the segregations of [Si], [Fe], [Al] and [V (sub Zn)] were observed along the gravity vector direction whereas in the vertically stabilized grown crystal the segregation of these point defects was radially symmetrical. No apparent pattern was observed on the measured distributions in the vertically destabilized grown crystal. The observed segregations in the three growth configurations were interpreted based on the possible buoyancy-driven convection in the vapor phase.

Electrochemical growth of linear conducting crystals in microgravity

NASA Technical Reports Server (NTRS)

Cronise, Raymond J., IV

1988-01-01

Much attention has been given to the synthesis of linear conducting materials. These inorganic, organic, and polymeric materials have some very interesting electrical and optical properties, including low temperature superconductivity. Because of the anisotropic nature of these compounds, impurities and defects strongly influences the unique physical properties of such crystals. Investigations have demonstrated that electrochemical growth has provided the most reproducible and purest crystals. Space, specifically microgravity, eliminates phenomena such as buoyancy driven convection, and could permit formation of crystals many times purer than the ones grown to date. Several different linear conductors were flown on Get Away Special G-007 on board the Space Shuttle Columbia, STS 61-C, the first of a series of Project Explorer payloads. These compounds were grown by electrochemical methods, and the growth was monitored by photographs taken throughout the mission. Due to some thermal problems, no crystals of appreciable size were grown. The experimental results will be incorporated into improvements for the next 2 missions of Project Explorer. The results and conclusions of the first mission are discussed.

Solidification and crystal growth of solid solution semiconducting alloys

NASA Technical Reports Server (NTRS)

Lehoczky, S. L.; Szofran, F. R.

1984-01-01

Problems associated with the solidification and crytal growth of solid-solution semiconducting alloy crystals in a terrestrial environment are described. A detailed description is given of the results for the growth of mercury cadmium telluride (HgCdTe) alloy crystals by directional solidification, because of their considerable technological importance. A series of HgCdTe alloy crystals are grown from pseudobinary melts by a vertical Bridgman method using a wide range of growth rates and thermal conditions. Precision measurements are performed to establish compositional profiles for the crystals. The compositional variations are related to compositional variations in the melts that can result from two-dimensional diffusion or density gradient driven flow effects ahead of the growth interface. These effects are discussed in terms of the alloy phase equilibrium properties, the recent high temperature thermophysical data for the alloys and the highly unusual heat transfer characteristics of the alloy/ampule/furnace system that may readily lead to double diffusive convective flows in a gravitational environment.

Effect of local structures on crystallization in deeply undercooled metallic glass-forming liquids

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

Jiang, S. Q.; Li, M. Z., E-mail: maozhili@ruc.edu.cn; Wu, Z. W.

2016-04-21

The crystallization mechanism in deeply undercooled ZrCu metallic glass-forming liquids was investigated via molecular dynamics simulations. It was found that the crystallization process is mainly controlled by the growth of crystal nuclei formed by the BCC-like atomic clusters, consistent with experimental speculations. The crystallization rate is found to relate to the number of growing crystal nuclei in the crystallization process. The crystallization rate in systems with more crystal nuclei is significantly hindered by the larger surface fractions of crystal nuclei and their different crystalline orientations. It is further revealed that in the crystallization in deeply undercooled regions, the BCC-like crystalmore » nuclei are formed from the inside of the precursors formed by the FCC-like atomic clusters, and growing at the expense of the precursors. Meanwhile, the precursors are expanding at the expense of the outside atomic clusters. This process is consistent with the so-called Ostwald step rule. The atomic structures of metallic glasses are found to have significant impact on the subsequent crystallization process. In the Zr{sub 85}Cu{sub 15} system, the stronger spatial correlation of Cu atoms could hinder the crystallization processes in deeply undercooled regions.« less

A first-principle model of 300 mm Czochralski single-crystal Si production process for predicting crystal radius and crystal growth rate

NASA Astrophysics Data System (ADS)

Zheng, Zhongchao; Seto, Tatsuru; Kim, Sanghong; Kano, Manabu; Fujiwara, Toshiyuki; Mizuta, Masahiko; Hasebe, Shinji

2018-06-01

The Czochralski (CZ) process is the dominant method for manufacturing large cylindrical single-crystal ingots for the electronics industry. Although many models and control methods for the CZ process have been proposed, they were only tested with small equipment and only a few industrial application were reported. In this research, we constructed a first-principle model for controlling industrial CZ processes that produce 300 mm single-crystal silicon ingots. The developed model, which consists of energy, mass balance, hydrodynamic, and geometrical equations, calculates the crystal radius and the crystal growth rate as output variables by using the heater input, the crystal pulling rate, and the crucible rise rate as input variables. To improve accuracy, we modeled the CZ process by considering factors such as changes in the positions of the crucible and the melt level. The model was validated with the operation data from an industrial 300 mm CZ process. We compared the calculated and actual values of the crystal radius and the crystal growth rate, and the results demonstrated that the developed model simulated the industrial process with high accuracy.

Engineering Interfacial Processes at Mini-Micro-Nano Scales Using Sessile Droplet Architecture.

PubMed

Bansal, Lalit; Sanyal, Apratim; Kabi, Prasenjit; Pathak, Binita; Basu, Saptarshi

2018-03-01

Evaporating sessile functional droplets act as the fundamental building block that controls the cumulative outcome of many industrial and biological applications such as surface patterning, 3D printing, photonic crystals, and DNA sequencing, to name a few. Additionally, a drying single sessile droplet forms a high-throughput processing technique using low material volume which is especially suitable for medical diagnosis. A sessile droplet also provides an elementary platform to study and analyze fundamental interfacial processes at various length scales ranging from macroscopically observable wetting and evaporation to microfluidic transport to interparticle forces operating at a nanometric length scale. As an example, to ascertain the quality of 3D printing we must understand the fundamental interfacial processes at the droplet scale. In this article, we review the coupled physics of evaporation flow-contact-line-driven particle transport in sessile colloidal droplets and provide methodologies to control the same. Through natural alterations in droplet vaporization, one can change the evaporative pattern and contact line dynamics leading to internal flow which will modulate the final particle assembly in a nontrivial fashion. We further show that control over particle transport can also be exerted by external stimuli which can be thermal, mechanical oscillations, vapor confinement (walled or a fellow droplet), or chemical (surfactant-induced) in nature. For example, significant augmentation of an otherwise evaporation-driven particle transport in sessile droplets can be brought about simply through controlled interfacial oscillations. The ability to control the final morphologies by manipulating the governing interfacial mechanisms in the precursor stages of droplet drying makes it perfectly suitable for fabrication-, mixing-, and diagnostic-based applications.

DHS Internship Summary-Crystal Assembly at Different Length Scales

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

Mishchenko, L

2009-08-06

I was part of a project in which in situ atomic force microscopy (AFM) was used to monitor growth and dissolution of atomic and colloidal crystals. At both length scales, the chemical environment of the system greatly altered crystal growth and dissolution. Calcium phosphate was used as a model system for atomic crystals. A dissolution-reprecipitation reaction was observed in this first system, involving the conversion of brushite (DCPD) to octacalcium phosphate (OCP). In the second system, polymeric colloidal crystals were dissolved in an ionic solvent, revealing the underlying structure of the crystal. The dissolved crystal was then regrown through anmore » evaporative step method. Recently, we have also found that colloids can be reversibly deposited in situ onto an ITO (indium tin oxide) substrate via an electrochemistry setup. The overall goal of this project was to develop an understanding of the mechanisms that control crystallization and order, so that these might be controlled during material synthesis. Controlled assembly of materials over a range of length scales from molecules to nanoparticles to colloids is critical for designing new materials. In particular, developing materials for sensor applications with tailorable properties and long range order is important. In this work, we examine two of these length scales: small molecule crystallization of calcium phosphate (whose crystal phases include DCPD, OCP, and HAP) and colloidal crystallization of Poly(methyl methacrylate) beads. Atomic Force Microscopy is ideal for this line of work because it allows for the possibility of observing non-conducting samples in fluid during growth with high resolution ({approx} 10 nm). In fact, during atomic crystal growth one can observe changes in atomic steps, and with colloidal crystals, one can monitor the individual building blocks of the crystal. Colloids and atoms crystallize under the influence of different forces acting at different length scales as seen in Table 1. In particular, molecular crystals, which are typically dominated by ionic and covalent bonding, are an order of magnitude more strongly bonded than colloidal crystals. In molecular crystals, ordering is driven by the interaction potentials between molecules. By contrast, colloidal assembly is a competition between the repulsive electrostatic forces that prevent aggregation in solution (due to surface charge), and short-range van der Waals and entropic forces that leads to ordering. Understanding atomic crystallization is fundamentally important for fabrication of tailorable crystalline materials, for example for biological or chemical sensors. The transformation of brushite to OCP not only serves as a model system for atomic crystal growth (applicable to many other crystal growth processes), but is also important in bone cements. Colloidal crystals have unique optical properties which respond to chemical and mechanical stimuli, making them very important for sensing applications. The mechanism of colloidal crystal assembly is thus fundamentally important. Our in situ dissolution and regrowth experiments are one good method of analyzing how these crystals pack under different conditions and how defect sites are formed and filled. In these experiments, a silica additive was used to strengthen the colloidal crystal during initial assembly (ex situ) and to increase domain size and long range order. Reversible electrodeposition of colloids onto a conductive substrate (ITO in our case) is another system which can further our knowledge of colloidal assembly. This experiment holds promise of allowing in situ observation of colloidal crystal growth and the influence of certain additives on crystal order. The ultimate goal would be to achieve long range order in these crystals by changing the surface charge or the growth environment.« less

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®

Effect of permeable flow on cyclic layering in solidifying magma bodies: Insights from an analog experiment of diffusion-precipitation systems

NASA Astrophysics Data System (ADS)

Toramaru, A.; Yamauchi, S.

2012-04-01

Characteristic structures such as rhythmic layering, cress cumulate, cross bedding, perpendicular feldspar rock etc, are commonly observed in layered intrusion or shallow magmatic intrusions. These structures result from complex processes including thermal and compositional diffusions, crystallization, crystal settling, convection and interaction among three phases (crystals, bubble, melt). In order to understand how the differentiation proceeds in solidifying magma bodies from each characteristic structure together with chemical signatures, it is necessary to evaluate the relative importance among these elemental processes on structures. As an attempt to evaluate the effect of advection on a diffusion-related structure, we carried out an analog experiment of Liesegang system using lead-iodide (PbI2) crystallization in agar media which have been normally used to prohibit convection. In the ordinary Liesegang band formation experiments including only diffusion and crystallization kinetics without any advection and convection, the precipitation bands develop with regular spacing following a geometric progression due to two-component diffusion and reaction with supersaturation. This type of banding structure has been advocated as the same type of cyclic layering or vesicle layering (a sort of rhythmic layering) in dykes or sills. In order to see the effect of one-directional advection on Liesegang band, we apply the electric field (5 V to 25 V for a distance 15 cm) along the concentration gradient in agar media, thereby counteracting flows of lead anion Pb2+ and iodide ion I- are driven at constant velocities. The flows of anions and ions are equivalent to the permeable flows in porous media of crystal mush. The resultant precipitation structures exhibit very curious banding structure in which band spacings do not change with distance, are nearly constant and quite narrow, depending on the voltage, unlike those in ordinary Liesegang bands in which band spacings increase with distance following geometric progression. Further interestingly each band consists of a lot of very tiny irregular-shaped crystal aggregates. From experimental results and scaling arguments, with regard to the effect of one directional permeable flow on band spacing of cyclic layering, we propose a hypothesis of constant Peclet number that Peclet number (ratio of flow velocity to diffusive velocity) is nearly unity. By applying the hypothesis to natural examples, we can estimate a value of permeable flow velocity of interstitial melts in differentiating magma bodies from values of a band spacing and diffusivity data.

Depinning and nonequilibrium dynamic phases of particle assemblies driven over random and ordered substrates: A review

DOE PAGES

Reichhardt, Charles; Olson Reichhardt, Cynthia Jane

2016-12-20

Here, we review the depinning and nonequilibrium phases of collectively interacting particle systems driven over random or periodic substrates. This type of system is relevant to vortices in type-II superconductors, sliding charge density waves, electron crystals, colloids, stripe and pattern forming systems, and skyrmions, and could also have connections to jamming, glassy behaviors, and active matter. These systems are also ideal for exploring the broader issues of characterizing transient and steady state nonequilibrium flow phases as well as nonequilibrium phase transitions between distinct dynamical phases, analogous to phase transitions between different equilibrium states. We discuss the differences between elastic andmore » plastic depinning on random substrates and the different types of nonequilibrium phases which are associated with specific features in the velocity-force curves, fluctuation spectra, scaling relations, and local or global particle ordering. We describe how these quantities can change depending on the dimension, anisotropy, disorder strength, and the presence of hysteresis. Within the moving phase we discuss how there can be a transition from a liquid-like state to dynamically ordered moving crystal, smectic, or nematic states. Systems with periodic or quasiperiodic substrates can have multiple nonequilibrium second or first order transitions in the moving state between chaotic and coherent phases, and can exhibit hysteresis. We also discuss systems with competing repulsive and attractive interactions, which undergo dynamical transitions into stripes and other complex morphologies when driven over random substrates. Throughout this work we highlight open issues and future directions such as absorbing phase transitions, nonequilibrium work relations, inertia, the role of non-dissipative dynamics such as Magnus effects, and how these results could be extended to the broader issues of plasticity in crystals, amorphous solids, and jamming phenomena.« less

Depinning and nonequilibrium dynamic phases of particle assemblies driven over random and ordered substrates: a review

NASA Astrophysics Data System (ADS)

Reichhardt, C.; Olson Reichhardt, C. J.

2017-02-01

We review the depinning and nonequilibrium phases of collectively interacting particle systems driven over random or periodic substrates. This type of system is relevant to vortices in type-II superconductors, sliding charge density waves, electron crystals, colloids, stripe and pattern forming systems, and skyrmions, and could also have connections to jamming, glassy behaviors, and active matter. These systems are also ideal for exploring the broader issues of characterizing transient and steady state nonequilibrium flow phases as well as nonequilibrium phase transitions between distinct dynamical phases, analogous to phase transitions between different equilibrium states. We discuss the differences between elastic and plastic depinning on random substrates and the different types of nonequilibrium phases which are associated with specific features in the velocity-force curves, fluctuation spectra, scaling relations, and local or global particle ordering. We describe how these quantities can change depending on the dimension, anisotropy, disorder strength, and the presence of hysteresis. Within the moving phase we discuss how there can be a transition from a liquid-like state to dynamically ordered moving crystal, smectic, or nematic states. Systems with periodic or quasiperiodic substrates can have multiple nonequilibrium second or first order transitions in the moving state between chaotic and coherent phases, and can exhibit hysteresis. We also discuss systems with competing repulsive and attractive interactions, which undergo dynamical transitions into stripes and other complex morphologies when driven over random substrates. Throughout this work we highlight open issues and future directions such as absorbing phase transitions, nonequilibrium work relations, inertia, the role of non-dissipative dynamics such as Magnus effects, and how these results could be extended to the broader issues of plasticity in crystals, amorphous solids, and jamming phenomena.

Biocalcite, a multifunctional inorganic polymer: Building block for calcareous sponge spicules and bioseed for the synthesis of calcium phosphate-based bone

PubMed Central

Schröder, Heinz C; Müller, Werner E G

2014-01-01

Summary Calcium carbonate is the material that builds up the spicules of the calcareous sponges. Recent results revealed that the calcium carbonate/biocalcite-based spicular skeleton of these animals is formed through an enzymatic mechanism, such as the skeleton of the siliceous sponges, evolutionarily the oldest animals that consist of biosilica. The enzyme that mediates the calcium carbonate deposition has been identified as a carbonic anhydrase (CA) and has been cloned from the calcareous sponge species Sycon raphanus. Calcium carbonate deposits are also found in vertebrate bones besides the main constituent, calcium phosphate/hydroxyapatite (HA). Evidence has been presented that during the initial phase of HA synthesis poorly crystalline carbonated apatite is deposited. Recent data summarized here indicate that during early bone formation calcium carbonate deposits enzymatically formed by CA, act as potential bioseeds for the precipitation of calcium phosphate mineral onto bone-forming osteoblasts. Two different calcium carbonate phases have been found during CA-driven enzymatic calcium carbonate deposition in in vitro assays: calcite crystals and round-shaped vaterite deposits. The CA provides a new target of potential anabolic agents for treatment of bone diseases; a first CA activator stimulating the CA-driven calcium carbonate deposition has been identified. In addition, the CA-driven calcium carbonate crystal formation can be frozen at the vaterite state in the presence of silintaphin-2, an aspartic acid/glutamic acid-rich sponge-specific protein. The discovery that calcium carbonate crystals act as bioseeds in human bone formation may allow the development of novel biomimetic scaffolds for bone tissue engineering. Na-alginate hydrogels, enriched with biosilica, have recently been demonstrated as a suitable matrix to embed bone forming cells for rapid prototyping bioprinting/3D cell printing applications. PMID:24991497

Biocalcite, a multifunctional inorganic polymer: Building block for calcareous sponge spicules and bioseed for the synthesis of calcium phosphate-based bone.

PubMed

Wang, Xiaohong; Schröder, Heinz C; Müller, Werner E G

2014-01-01

Calcium carbonate is the material that builds up the spicules of the calcareous sponges. Recent results revealed that the calcium carbonate/biocalcite-based spicular skeleton of these animals is formed through an enzymatic mechanism, such as the skeleton of the siliceous sponges, evolutionarily the oldest animals that consist of biosilica. The enzyme that mediates the calcium carbonate deposition has been identified as a carbonic anhydrase (CA) and has been cloned from the calcareous sponge species Sycon raphanus. Calcium carbonate deposits are also found in vertebrate bones besides the main constituent, calcium phosphate/hydroxyapatite (HA). Evidence has been presented that during the initial phase of HA synthesis poorly crystalline carbonated apatite is deposited. Recent data summarized here indicate that during early bone formation calcium carbonate deposits enzymatically formed by CA, act as potential bioseeds for the precipitation of calcium phosphate mineral onto bone-forming osteoblasts. Two different calcium carbonate phases have been found during CA-driven enzymatic calcium carbonate deposition in in vitro assays: calcite crystals and round-shaped vaterite deposits. The CA provides a new target of potential anabolic agents for treatment of bone diseases; a first CA activator stimulating the CA-driven calcium carbonate deposition has been identified. In addition, the CA-driven calcium carbonate crystal formation can be frozen at the vaterite state in the presence of silintaphin-2, an aspartic acid/glutamic acid-rich sponge-specific protein. The discovery that calcium carbonate crystals act as bioseeds in human bone formation may allow the development of novel biomimetic scaffolds for bone tissue engineering. Na-alginate hydrogels, enriched with biosilica, have recently been demonstrated as a suitable matrix to embed bone forming cells for rapid prototyping bioprinting/3D cell printing applications.

Structural and Functional Studies of a Newly Grouped Haloquadratum walsbyi Bacteriorhodopsin Reveal the Acid-resistant Light-driven Proton Pumping Activity.

PubMed

Hsu, Min-Feng; Fu, Hsu-Yuan; Cai, Chun-Jie; Yi, Hsiu-Pin; Yang, Chii-Shen; Wang, Andrew H-J

2015-12-04

Retinal bound light-driven proton pumps are widespread in eukaryotic and prokaryotic organisms. Among these pumps, bacteriorhodopsin (BR) proteins cooperate with ATP synthase to convert captured solar energy into a biologically consumable form, ATP. In an acidic environment or when pumped-out protons accumulate in the extracellular region, the maximum absorbance of BR proteins shifts markedly to the longer wavelengths. These conditions affect the light-driven proton pumping functional exertion as well. In this study, wild-type crystal structure of a BR with optical stability under wide pH range from a square halophilic archaeon, Haloquadratum walsbyi (HwBR), was solved in two crystal forms. One crystal form, refined to 1.85 Å resolution, contains a trimer in the asymmetric unit, whereas another contains an antiparallel dimer was refined at 2.58 Å. HwBR could not be classified into any existing subgroup of archaeal BR proteins based on the protein sequence phylogenetic tree, and it showed unique absorption spectral stability when exposed to low pH values. All structures showed a unique hydrogen-bonding network between Arg(82) and Thr(201), linking the BC and FG loops to shield the retinal-binding pocket in the interior from the extracellular environment. This result was supported by R82E mutation that attenuated the optical stability. The negatively charged cytoplasmic side and the Arg(82)-Thr(201) hydrogen bond may play an important role in the proton translocation trend in HwBR under acidic conditions. Our findings have unveiled a strategy adopted by BR proteins to solidify their defenses against unfavorable environments and maintain their optical properties associated with proton pumping. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

Structural and Functional Studies of a Newly Grouped Haloquadratum walsbyi Bacteriorhodopsin Reveal the Acid-resistant Light-driven Proton Pumping Activity*

PubMed Central

Hsu, Min-Feng; Fu, Hsu-Yuan; Cai, Chun-Jie; Yi, Hsiu-Pin; Yang, Chii-Shen; Wang, Andrew H.-J.

2015-01-01

Retinal bound light-driven proton pumps are widespread in eukaryotic and prokaryotic organisms. Among these pumps, bacteriorhodopsin (BR) proteins cooperate with ATP synthase to convert captured solar energy into a biologically consumable form, ATP. In an acidic environment or when pumped-out protons accumulate in the extracellular region, the maximum absorbance of BR proteins shifts markedly to the longer wavelengths. These conditions affect the light-driven proton pumping functional exertion as well. In this study, wild-type crystal structure of a BR with optical stability under wide pH range from a square halophilic archaeon, Haloquadratum walsbyi (HwBR), was solved in two crystal forms. One crystal form, refined to 1.85 Å resolution, contains a trimer in the asymmetric unit, whereas another contains an antiparallel dimer was refined at 2.58 Å. HwBR could not be classified into any existing subgroup of archaeal BR proteins based on the protein sequence phylogenetic tree, and it showed unique absorption spectral stability when exposed to low pH values. All structures showed a unique hydrogen-bonding network between Arg82 and Thr201, linking the BC and FG loops to shield the retinal-binding pocket in the interior from the extracellular environment. This result was supported by R82E mutation that attenuated the optical stability. The negatively charged cytoplasmic side and the Arg82–Thr201 hydrogen bond may play an important role in the proton translocation trend in HwBR under acidic conditions. Our findings have unveiled a strategy adopted by BR proteins to solidify their defenses against unfavorable environments and maintain their optical properties associated with proton pumping. PMID:26483542

Making waves in a photoactive polymer film

NASA Astrophysics Data System (ADS)

Gelebart, Anne Helene; Jan Mulder, Dirk; Varga, Michael; Konya, Andrew; Vantomme, Ghislaine; Meijer, E. W.; Selinger, Robin L. B.; Broer, Dirk J.

2017-06-01

Oscillating materials that adapt their shapes in response to external stimuli are of interest for emerging applications in medicine and robotics. For example, liquid-crystal networks can be programmed to undergo stimulus-induced deformations in various geometries, including in response to light. Azobenzene molecules are often incorporated into liquid-crystal polymer films to make them photoresponsive; however, in most cases only the bending responses of these films have been studied, and relaxation after photo-isomerization is rather slow. Modifying the core or adding substituents to the azobenzene moiety can lead to marked changes in photophysical and photochemical properties, providing an opportunity to circumvent the use of a complex set-up that involves multiple light sources, lenses or mirrors. Here, by incorporating azobenzene derivatives with fast cis-to-trans thermal relaxation into liquid-crystal networks, we generate photoactive polymer films that exhibit continuous, directional, macroscopic mechanical waves under constant light illumination, with a feedback loop that is driven by self-shadowing. We explain the mechanism of wave generation using a theoretical model and numerical simulations, which show good qualitative agreement with our experiments. We also demonstrate the potential application of our photoactive films in light-driven locomotion and self-cleaning surfaces, and anticipate further applications in fields such as photomechanical energy harvesting and miniaturized transport.

Demixing in symmetric supersolid mixtures

NASA Astrophysics Data System (ADS)

Jain, Piyush; Moroni, Saverio; Boninsegni, Massimo; Pollet, Lode

2013-09-01

The droplet crystal phase of a symmetric binary mixture of soft-core bosons is studied by computer simulation. At high temperature each droplet comprises on average equal numbers of particles of either component, but the two components demix below the supersolid transition temperature, i.e., droplets mostly consist of particles of one component. Clustering of droplets of the same component is also observed. Demixing is driven by quantum tunneling of particles across droplets over the system and does not take place in an insulating crystal. This effect provides an unambiguous experimental signature of supersolidity.

LLE Review 118 (January-March 2009)

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

Bittle, W., editor

2009-08-03

This issue has the following articles: (1) Applied Plasma Spectroscopy: Laser-Fusion Experiments; (2) Relativistic Electron-Beam Transport Studies Using High-Resolution, Coherent Transition Radiation Imaging; (3) Pressure-Driven, Resistive Magnetohydrodynamic Interchange Instabilities in Laser-Produced, High-Energy-Density Plasmas; (4) Extended Model for Polymer Cholesteric Liquid Crystal Flake Reorientation and Relaxation; (5) Modeling the Effects of Microencapsulation on the Electro-Optic Behavior of Polymer Cholesteric Liquid Crystal Flakes; (6) Capillarity and Dielectrophoresis of Liquid Deuterium; and (7) A Stable Mid-IR, GaSb-Based Diode Laser Source for Cryogenic Target Layering at the OMEGA Laser Facility.

Controlling the light propagation in one-dimensional photonic crystal via incoherent pump and interdot tunneling

NASA Astrophysics Data System (ADS)

Abbasabadi, Majid; Sahrai, Mostafa

2018-01-01

We investigated the propagation of an electromagnetic pulse through a one-dimensional photonic crystal doped with quantum-dot (QD) molecules in a defect layer. The QD molecules behave as a three-level quantum system and are driven by a coherent probe laser field and an incoherent pump field. No coherent coupling laser fields were introduced, and the coherence was created by the interdot tunnel effect. Further studied was the effect of tunneling and incoherent pumping on the group velocity of the transmitted and reflected probe pulse.

Physical phenomena and the microgravity response

NASA Technical Reports Server (NTRS)

Todd, Paul

1989-01-01

The living biological cell is not a sack of Newtonian fluid containing systems of chemical reactions at equilibrium. It is a kinetically driven system, not a thermodynamically driven system. While the cell as a whole might be considered isothermal, at the scale of individual macromolecular events there is heat generated, and presumably sharp thermal gradients exist at the submicron level. Basic physical phenomena to be considered when exploring the cell's response to inertial acceleration include particle sedimentation, solutal convection, motility electrokinetics, cytoskeletal work, and hydrostatic pressure. Protein crystal growth experiments, for example, illustrate the profound effects of convection currents on macromolecular assembly. Reaction kinetics in the cell vary all the way from diffusion-limited to life-time limited. Transport processes vary from free diffusion, to facilitated and active transmembrane transport, to contractile-protein-driven motility, to crystalline immobilization. At least four physical states of matter exist in the cell: aqueous, non-aqueous, immiscible-aqueous, and solid. Levels of order vary from crystalline to free solution. The relative volumes of these states profoundly influence the cell's response to inertial acceleration. Such subcellular phenomena as stretch-receptor activation, microtubule re-assembly, synaptic junction formation, chemotactic receptor activation, and statolith sedimentation were studied recently with respect to both their basic mechanisms and their responsiveness to inertial acceleration. From such studies a widespread role of cytoskeletal organization is becoming apparent.

Temperature-gradient-induced

NASA Astrophysics Data System (ADS)

Park, Cheol; Glaser, Matt; Maclennan, Joe; Clark, Noel; Trittel, Torsten; Stannarius, Ralf

Freely-suspended smectic films of sub-micrometer thickness and lateral extensions of several millimeters were used to study thermally driven migration and convection in the film plane. Film experiments were performed during the 6 minute microgravity phase of a TEXUS suborbital rocket flight (Texus 52, launched April 27, 2015). We have found an attraction of the smectic material towards the cold edge of the film in a temperature gradient, similar to the Soret effect. This process is reversed when this edge is heated up again. Thermal convection driven by two thermocontacts in the film is practically absent, even at temperature gradients up to 10 K/mm, with thermally driven convection only setting in when the hot post reaches the transition temperature to the nematic phase. The Observation and Analysis of Smectic Islands in Space (OASIS) flight hardware was launched on SpaceX-6 in April 2015 and experiments on smectic bubbles were carried out on the International Space Station using four different smectic A and C liquid crystal materials in separate sample chambers. We observed that smectic islands on the surface of the bubbles migrated towards the colder part of the bubble in a temperature gradient. This work was supported by NASA Grant No. NNX-13AQ81G, by the Soft Materials Research Center under NSF MRSEC Grants No. DMR-0820579 and No. DMR-1420736, and by DLR Grants 50WM1127 and 50WM1430.

A historical perspective on protein crystallization from 1840 to the present day.

PubMed

Giegé, Richard

2013-12-01

Protein crystallization has been known since 1840 and can prove to be straightforward but, in most cases, it constitutes a real bottleneck. This stimulated the birth of the biocrystallogenesis field with both 'practical' and 'basic' science aims. In the early years of biochemistry, crystallization was a tool for the preparation of biological substances. Today, biocrystallogenesis aims to provide efficient methods for crystal fabrication and a means to optimize crystal quality for X-ray crystallography. The historical development of crystallization methods for structural biology occurred first in conjunction with that of biochemical and genetic methods for macromolecule production, then with the development of structure determination methodologies and, recently, with routine access to synchrotron X-ray sources. Previously, the identification of conditions that sustain crystal growth occurred mostly empirically but, in recent decades, this has moved progressively towards more rationality as a result of a deeper understanding of the physical chemistry of protein crystal growth and the use of idea-driven screening and high-throughput procedures. Protein and nucleic acid engineering procedures to facilitate crystallization, as well as crystallization methods in gelled-media or by counter-diffusion, represent recent important achievements, although the underlying concepts are old. The new nanotechnologies have brought a significant improvement in the practice of protein crystallization. Today, the increasing number of crystal structures deposited in the Protein Data Bank could mean that crystallization is no longer a bottleneck. This is not the case, however, because structural biology projects always become more challenging and thereby require adapted methods to enable the growth of the appropriate crystals, notably macromolecular assemblages. © 2013 FEBS.

Crystallization and Melt Removal at Arenal Volcano, Polytopic Vector Analysis

NASA Astrophysics Data System (ADS)

Hidalgo, P. J.; Vogel, T. A.; Bolge, L. L.; Ehrlich, R.; Alvarado, G. E.

2007-12-01

Tephra sequences ET3 and ET4 from Arenal volcano in Costa Rica have recently been interpreted to be a product of crystal fractionation by Bolge and coworkers in a series of papers (2004, 2006). The two tephra units are part of a sequence of 22 tephra units that represent a 7000 year span of the Arenal volcano activity. The tephro- stratigraphy has been described extensively by Melson (1982; 1994). The ET3 and ET4 tephras were interpreted (based on major- and trace-element, isotopic analyses of whole rocks and microchemical analyses of individual phases) as clear evidence of crystal separation by gravity settling (Bolge et al., 2004, 2006). The lower ET4 tephra sequence (andesitic and crystal poor) and the upper ET3 tephra (basaltic and crystal rich) represent an inverted snapshot of the magma chamber with contrasting geochemical properties. The ET3 sequence (deeper part of the magma chamber) has nearly constant composition with only a few elements varying stratigraphically (best represented by CaO). This is consistent with gradually decreasing amounts of melt in the upper part of ET3. The lower ET4 tephra (upper part of the magma chamber) contains large chemical gradients in both incompatible and compatible elements. In the present study we use whole-rock geochemical data from the recent tephra sequences ET3 and ET4 as inputs to Polytopic Vector Analysis (PVA) (for a review of this method see Vogel and coworkers, in press). With this method we produce a three end member solution that is consistent with crystallization of Olivine, plagioclase and pyroxene from the most mafic end member (EM1) resulting in a crystal rich mush zone. As crystallization progresses the compositions of the liquids are driven towards an intermediate end member (EM3), which has an intermediate composition liquid. At EM3 composition, rapid depletion of FeO, MgO and TiO2 by crystallization of Fe-Ti oxides, rapidly drives the liquid composition towards the silicic EM1 (incompatible element enriched end member). Using PVA we refine the interpretations of Bolge and coworkers and show that melt from the crystalline rich ET3 tephra was removed and ponded in the magma chamber above the crystalline mush (top part of ET4 unit). Thus when the eruption occurred the most evolved tephra (ET4) were deposited first followed by the least evolved tephra (ET3), which resulted in sampling of a chemically zoned magma chamber. Using PVA on stratigraphically controlled whole-rock analyses of tephra samples, we can unambiguously identify processes and end members that are involved in crystal accumulation and liquid separation processes. Thus PVA is a rigorous analytical tool that uses only whole-rock chemical data to produce robust results that can be used with other analytical techniques to test petrological models.

Applications of ultrasound to chiral crystallization, resolution and deracemization.

PubMed

Xiouras, Christos; Fytopoulos, Antonios; Jordens, Jeroen; Boudouvis, Andreas G; Van Gerven, Tom; Stefanidis, Georgios D

2018-05-01

Industrial synthesis of enantiopure compounds is nowadays heavily based on the separation of racemates through crystallization processes. Although the application of ultrasound in solution crystallization processes (sonocrystallization) has become a promising emerging technology, offering several benefits (e.g. reduction of the induction time and narrowing of the metastable zone width, control over the product size, shape and polymorphic modification), little attention has been paid so far to the effects of ultrasound on chiral crystallization processes. Several recent studies have reported on the application of acoustic energy to crystallization processes that separate enantiomers, ranging from classical (diastereomeric) resolution and preferential crystallization to new and emerging processes such as attrition-enhanced deracemization (Viedma ripening). A variety of interesting effects have been observed, which include among others, enhanced crystallization yield with higher enantiomeric purity crystals, spontaneous mirror symmetry breaking crystallization, formation of metastable conglomerate crystals and enhanced deracemization rates. The objective of this review is to provide an overview of the effects of ultrasound on chiral crystallization and outline several aspects of interest in this emerging field. Copyright © 2018 Elsevier B.V. All rights reserved.

Glassy phases and driven response of the phase-field-crystal model with random pinning.

PubMed

Granato, E; Ramos, J A P; Achim, C V; Lehikoinen, J; Ying, S C; Ala-Nissila, T; Elder, K R

2011-09-01

We study the structural correlations and the nonlinear response to a driving force of a two-dimensional phase-field-crystal model with random pinning. The model provides an effective continuous description of lattice systems in the presence of disordered external pinning centers, allowing for both elastic and plastic deformations. We find that the phase-field crystal with disorder assumes an amorphous glassy ground state, with only short-ranged positional and orientational correlations, even in the limit of weak disorder. Under increasing driving force, the pinned amorphous-glass phase evolves into a moving plastic-flow phase and then, finally, a moving smectic phase. The transverse response of the moving smectic phase shows a vanishing transverse critical force for increasing system sizes.

Hydrogen bond-Driven Self-Assembly between Amidinium Cations and Carboxylate Anions: A Combined Molecular Dynamics, NMR Spectroscopy, and Single Crystal X-ray Diffraction Study.

PubMed

Thomas, Michael; Anglim Lagones, Thomas; Judd, Martyna; Morshedi, Mahbod; O'Mara, Megan L; White, Nicholas G

2017-07-04

A combination of molecular dynamics (MD), NMR spectroscopy, and single crystal X-ray diffraction (SCXRD) techniques was used to probe the self-assembly of para- and meta-bis(amidinium) compounds with para-, meta-, and ortho-dicarboxylates. Good concordance was observed between the MD and experimental results. In DMSO solution, the systems form several rapidly exchanging assemblies, in part because a range of hydrogen bonding interactions is possible between the amidinium and carboxylate moieties. Upon crystallization, the majority of the systems form 1D supramolecular polymers, which are held together by short N-H⋅⋅⋅O hydrogen bonds. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Elimination of image flicker in a fringe-field switching liquid crystal display by applying a bipolar voltage wave.

PubMed

Oh, Seung-Won; Park, Jun-Hee; Lee, Ji-Hoon; Yoon, Tae-Hoon

2015-09-07

Recently, low-frequency driving of liquid crystal display (LCD) panels to minimize power consumption has drawn much attention. In the case in which an LCD panel is driven by a fringe-field at a low frequency, the image flickering phenomenon occurs when the sign of the applied electric field is reversed. We investigated image flickering induced by the flexoelectric effect in a fringe-field switching (FFS) liquid crystal cell in terms of the transmittance difference between frames and the ripple phenomenon. Experimental results show that image flicker due to transmittance difference can be eliminated completely and that the ripple phenomena can be reduced significantly by applying a bipolar voltage wave to the FFS cell.

All-optical switch based on doped graphene quantum dots in a defect layer of a one-dimensional photonic crystal.

PubMed

Sahrai, Mostafa; Abbasabadi, Majid

2018-01-20

We discuss the light pulse propagation in a one-dimensional photonic crystal doped by graphene quantum dots in a defect layer. The graphene quantum dots behave as a three-level quantum system and are driven by three coherent laser fields. It is shown that the group velocity of the transmitted and reflected pulses can be switched from subluminal to superluminal light propagation by adjusting the relative phase of the applied fields. Furthermore, it is found that by proper choice of the phase difference between applied fields, the weak probe field amplification is achieved through a one-dimensional photonic crystal. In this way, the result is simultaneous subluminal transmission and reflection.

High pressure synthesis, crystal growth and magnetic properties of TiOF

NASA Astrophysics Data System (ADS)

Cumby, J.; Burchell, M. B.; Attfield, J. P.

2018-06-01

Polycrystalline samples of TiOF have been prepared at 1300 °C and 8 GPa, with small single crystals grown at the same conditions. The crystal structure remains tetragonal rutile-type down to at least 90 K (space group P42/mnm, a = 4.6533 (2) Å and c = 3.0143 (2) Å at 90 K) and the Ti(O,F)6 octahedra are slightly compressed, consistent with Jahn-Teller distortion of 3d1 Ti3+. Diffuse scattering reveals disordered structural correlations that may arise from local cis-order of oxide anions driven by covalency. TiOF is paramagnetic down to 5 K and observation of a small paramagnetic moment and a substantial Pauli term indicates that the d-electrons are partially delocalised.

Tuning and Freezing Disorder in Photonic Crystals using Percolation Lithography.

PubMed

Burgess, Ian B; Abedzadeh, Navid; Kay, Theresa M; Shneidman, Anna V; Cranshaw, Derek J; Lončar, Marko; Aizenberg, Joanna

2016-01-21

Although common in biological systems, synthetic self-assembly routes to complex 3D photonic structures with tailored degrees of disorder remain elusive. Here we show how liquids can be used to finely control disorder in porous 3D photonic crystals, leading to complex and hierarchical geometries. In these optofluidic crystals, dynamically tunable disorder is superimposed onto the periodic optical structure through partial wetting or evaporation. In both cases, macroscopic symmetry breaking is driven by subtle sub-wavelength variations in the pore geometry. These variations direct site-selective infiltration of liquids through capillary interactions. Incorporating cross-linkable resins into our liquids, we developed methods to freeze in place the filling patterns at arbitrary degrees of partial wetting and intermediate stages of drying. These percolation lithography techniques produced permanent photonic structures with adjustable disorder. By coupling strong changes in optical properties to subtle differences in fluid behavior, optofluidic crystals may also prove useful in rapid analysis of liquids.

Form follows function: morphological diversification and alternative trapping strategies in carnivorous Nepenthes pitcher plants.

PubMed

Bauer, Ulrike; Clemente, C J; Renner, T; Federle, W

2012-01-01

Carnivorous plants of the genus Nepenthes have evolved a striking diversity of pitcher traps that rely on specialized slippery surfaces for prey capture. With a comparative study of trap morphology, we show that Nepenthes pitcher plants have evolved specific adaptations for the use of either one of two distinct trapping mechanisms: slippery wax crystals on the inner pitcher wall and 'insect aquaplaning' on the wet upper rim (peristome). Species without wax crystals had wider peristomes with a longer inward slope. Ancestral state reconstructions identified wax crystal layers and narrow, symmetrical peristomes as ancestral, indicating that wax crystals have been reduced or lost multiple times independently. Our results complement recent reports of nutrient source specializations in Nepenthes and suggest that these specializations may have driven speciation and rapid diversification in this genus. © 2011 The Authors. Journal of Evolutionary Biology © 2011 European Society For Evolutionary Biology.

Crystal structures of the ATP-binding and ADP-release dwells of the V1 rotary motor

PubMed Central

Suzuki, Kano; Mizutani, Kenji; Maruyama, Shintaro; Shimono, Kazumi; Imai, Fabiana L.; Muneyuki, Eiro; Kakinuma, Yoshimi; Ishizuka-Katsura, Yoshiko; Shirouzu, Mikako; Yokoyama, Shigeyuki; Yamato, Ichiro; Murata, Takeshi

2016-01-01

V1-ATPases are highly conserved ATP-driven rotary molecular motors found in various membrane systems. We recently reported the crystal structures for the Enterococcus hirae A3B3DF (V1) complex, corresponding to the catalytic dwell state waiting for ATP hydrolysis. Here we present the crystal structures for two other dwell states obtained by soaking nucleotide-free V1 crystals in ADP. In the presence of 20 μM ADP, two ADP molecules bind to two of three binding sites and cooperatively induce conformational changes of the third site to an ATP-binding mode, corresponding to the ATP-binding dwell. In the presence of 2 mM ADP, all nucleotide-binding sites are occupied by ADP to induce conformational changes corresponding to the ADP-release dwell. Based on these and previous findings, we propose a V1-ATPase rotational mechanism model. PMID:27807367

Modelling the growth of triglycine sulphate crystals in Spacelab 3

NASA Technical Reports Server (NTRS)

Yoo, Hak-Do; Wilcox, William R.; Lal, Ravindra; Trolinger, James D.

1988-01-01

Two triglycine sulphate crystals were grown from an aqueous solution in Spacelab 3 aboard a Space Shuttle. Using a diffusion coefficient of 0.00002 sq cm/s, a computerized simulation gave reasonable agreement between experimental and theoretical crystal sizes and interferometric lines in the solution near the growing crystal. This diffusion coefficient is larger than most measured values, possibly due to fluctuating accelerations on the order of .001 g (Earth's gravity). The average acceleration was estimated to be less than .000001 g. At this level, buoyancy driven convection is predicted to add approx. 20 percent to the steady state growth rate. Only very slight distortion of the interferometric lines was observed at the end of a 33 hr run. It is suggested that the time to reach steady state convective transport may be inversely proportional to g at low g, so that the full effect of convection was not realized in these experiments.

Time Crystal Platform: From Quasicrystal Structures in Time to Systems with Exotic Interactions.

PubMed

Giergiel, Krzysztof; Miroszewski, Artur; Sacha, Krzysztof

2018-04-06

Time crystals are quantum many-body systems that, due to interactions between particles, are able to spontaneously self-organize their motion in a periodic way in time by analogy with the formation of crystalline structures in space in condensed matter physics. In solid state physics properties of space crystals are often investigated with the help of external potentials that are spatially periodic and reflect various crystalline structures. A similar approach can be applied for time crystals, as periodically driven systems constitute counterparts of spatially periodic systems, but in the time domain. Here we show that condensed matter problems ranging from single particles in potentials of quasicrystal structure to many-body systems with exotic long-range interactions can be realized in the time domain with an appropriate periodic driving. Moreover, it is possible to create molecules where atoms are bound together due to destructive interference if the atomic scattering length is modulated in time.

Mott Time Crystal: Models and Realizations in Cold Atoms

NASA Astrophysics Data System (ADS)

Huang, Biao; Wu, Ying-Hai; Liu, W. Vincent

2017-04-01

Time crystals, a phase showing spontaneously breaking of time-translation symmetry, has been an intriguing subject for systems far away from equilibrium. Recent experiments found such a phase both in the presence and absence of localization, while in theories localization is usually assumed a priori. In this work, we point out that time crystals can generally exist in systems without disorder and is not in a pre-thermal state. A series of driven interacting ladder models are proposed to demonstrate this unexpected result in principle. Robust time crystalline orders are found in the Mott regime due to the emergent integrals of motion in the dynamical system, which can be characterized by the out-of-time-order correlators (OTOC). We propose two cold atom experimental schemes to realize the Mott time crystals, one by making use of dipolar gases and another by synthetic dimensions. U.S. ARO (W911NF-11-1-0230), AFOSR (FA9550-16-1-0006).

Time Crystal Platform: From Quasicrystal Structures in Time to Systems with Exotic Interactions

NASA Astrophysics Data System (ADS)

Giergiel, Krzysztof; Miroszewski, Artur; Sacha, Krzysztof

2018-04-01

Time crystals are quantum many-body systems that, due to interactions between particles, are able to spontaneously self-organize their motion in a periodic way in time by analogy with the formation of crystalline structures in space in condensed matter physics. In solid state physics properties of space crystals are often investigated with the help of external potentials that are spatially periodic and reflect various crystalline structures. A similar approach can be applied for time crystals, as periodically driven systems constitute counterparts of spatially periodic systems, but in the time domain. Here we show that condensed matter problems ranging from single particles in potentials of quasicrystal structure to many-body systems with exotic long-range interactions can be realized in the time domain with an appropriate periodic driving. Moreover, it is possible to create molecules where atoms are bound together due to destructive interference if the atomic scattering length is modulated in time.

The influence of data-driven versus conceptually-driven processing on the development of PTSD-like symptoms.

PubMed

Kindt, Merel; van den Hout, Marcel; Arntz, Arnoud; Drost, Jolijn

2008-12-01

Ehlers and Clark [(2000). A cognitive model of posttraumatic stress disorder. Behaviour Research and Therapy, 38, 319-345] propose that a predominance of data-driven processing during the trauma predicts subsequent PTSD. We wondered whether, apart from data-driven encoding, sustained data-driven processing after the trauma is also crucial for the development of PTSD. Both hypotheses were tested in two analogue experiments. Experiment 1 demonstrated that relative to conceptually-driven processing (n=20), data-driven processing after the film (n=14), resulted in more intrusions. Experiment 2 demonstrated that relative to the neutral condition (n=24) and the data-driven encoding condition (n=24), conceptual encoding (n=25) reduced suppression of intrusions and a trend emerged for memory fragmentation. The difference between the two encoding styles was due to the beneficial effect of induced conceptual encoding and not to the detrimental effect of data-driven encoding. The data support the viability of the distinction between data-driven/conceptually-driven processing for the understanding of the development of PTSD.

Gamma ray detector shield

DOEpatents

Ohlinger, R.D.; Humphrey, H.W.

1985-08-26

A gamma ray detector shield comprised of a rigid, lead, cylindrical-shaped vessel having upper and lower portions with an pneumatically driven, sliding top assembly. Disposed inside the lead shield is a gamma ray scintillation crystal detector. Access to the gamma detector is through the sliding top assembly.

Method for controlling protein crystallization

NASA Technical Reports Server (NTRS)

Noever, David A. (Inventor)

1993-01-01

A method and apparatus for controlling the crystallization of protein by solvent evaporation including placing a drop of protein solution between and in contact with a pair of parallel plates and driving one of the plates toward and away from the other plate in a controlled manner to adjust the spacing between the plates is presented. The drop of solution forms a liquid cylinder having a height dependent upon the plate spacing thereby effecting the surface area available for solvent evaporation. When the spacing is close, evaporation is slow. Evaporation is increased by increasing the spacing between the plates until the breaking point of the liquid cylinder. One plate is mounted upon a fixed post while the other plate is carried by a receptacle movable relative to the post and driven by a belt driven screw drive. The temperature and humidity of the drop of protein solution are controlled by sealing the drop within the receptacle and mounting a heater and dessicant within the receptacle.

Thin Film Mediated Phase Change Phenomena: Crystallization, Evaporation and Wetting

NASA Technical Reports Server (NTRS)

Wettlaufer, John S.

1998-01-01

We focus on two distinct materials science problems that arise in two distinct microgravity environments: In space and within the space of a polymeric network. In the former environment, we consider a near eutectic alloy film in contact with its vapor which, when evaporating on earth, will experience compositionally induced buoyancy driven convection. The latter will significantly influence the morphology of the crystallized end member. In the absence of gravity, the morphology will be dominated by molecular diffusion and Marangoni driven viscous flow, and we study these phenomena theoretically and experimentally. The second microgravity environment exists in liquids, gels, and other soft materials where the small mass of individual molecules makes the effect of gravity negligible next to the relatively strong forces of intermolecular collisions. In such materials, an essential question concerns how to relate the molecular dynamics to the bulk rheological behavior. Here, we observe experimentally the diffusive motion of a single molecule in a single polymer filament, embedded within a polymer network and find anomalous diffusive behavior.

Complete stress-induced depolarization of relaxor ferroelectric crystals without transition through a non-polar phase

NASA Astrophysics Data System (ADS)

Shkuratov, Sergey I.; Baird, Jason; Antipov, Vladimir G.; Hackenberger, Wesley; Luo, Jun; Zhang, Shujun; Lynch, Christopher S.; Chase, Jay B.; Jo, Hwan R.; Roberts, Christopher C.

2018-03-01

The development of relaxor ferroelectric single crystal technology is driven by the ability to tailor ferroelectric properties through domain engineering not achievable in polycrystalline materials. In this study, three types of domain-engineered rhombohedral Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 crystals were subjected to transverse high strain rate loading. The experimental results indicate that the domain configuration has a significant effect on the stress-induced depolarization and the associated charge released. A complete depolarization of the single-domain crystals with 3m symmetry is observed, while multidomain crystals with 4mm and mm2 symmetries retain a fraction of their initial remanent polarization. The complete depolarization of single-domain crystals is unique without transition to a non-polar phase, with a stress-induced charge density of 0.48 C/m2. This is up to three times higher than that of the multidomain crystals and PbZrxTi1-xO3 ferroelectric ceramics that are critical for ultrahigh-power transducer applications. The main offering of this work is to propose a detailed mechanism for complete stress-induced depolarization in ferroelectric crystals which does not involve an intermediate transformation to a non-polar phase.

Poly-silicon TFT AM-OLED on thin flexible metal substrates

NASA Astrophysics Data System (ADS)

Afentakis, Themis; Hatalis, Miltiadis K.; Voutsas, Apostolos T.; Hartzell, John W.

2003-05-01

Thin metal foils present an excellent alternative to polymers for the fabrication of large area, flexible displays. Their main advantage spurs from their ability to withstand higher temperatures during processing; microelectronic fabrication at elevated temperatures offers the ability to utilize a variety of crystallization processes for the active layer of devices and thermally grown gate dielectrics. This can lead to high performance (high mobility, low threshold voltage) low cost and highly reliable thin film transistors. In some cases, the conductive substrate can also be used to provide power to the active devices, thus reducing layout complexity. This paper discusses the first successful attempt to design and fabricate a variety of active matrix organic light emitting diode displays on thin, flexible stainless steel foils. Different pixel architectures, such as two- and four-transistor implementations, and addressing modes, such as voltage- or current-driven schemese are examined. This work clearly demonstrates the advantages associated with the fabrication of OLED displays on thin metal foils, which - through roll-to-roll processing - can potentially result in revolutionizing today's display processing, leading to a new generation of low cost, high performance versatile display systems.

Effect of process parameters and crystal orientation on 3D anisotropic stress during CZ and FZ growth of silicon

NASA Astrophysics Data System (ADS)

Drikis, Ivars; Plate, Matiss; Sennikovs, Juris; Virbulis, Janis

2017-09-01

Simulations of 3D anisotropic stress are carried out in <100> and <111> oriented Si crystals grown by FZ and CZ processes for different diameters, growth rates and process stages. Temperature dependent elastic constants and thermal expansion coefficients are used in the FE simulations. The von Mises stress at the triple point line is 5-11% higher in <111> crystals compared to <100> crystals. The process parameters have a larger effect on the von Mises stress than the crystal orientation. Generally, the <111> crystal has a higher azimuthal variation of stress along the triple point line ( 8%) than the <100> crystal ( 2%). The presence of a crystal ridge increases the stress beside the ridge and decreases it on the ridge compared with the round crystal.

Self-driven visible-blind photodetector based on ferroelectric perovskite oxides

NASA Astrophysics Data System (ADS)

Li, Jian-kun; Ge, Chen; Jin, Kui-juan; Du, Jian-yu; Yang, Jing-ting; Lu, Hui-bin; Yang, Guo-zhen

2017-04-01

Ultraviolet photodetectors have attracted considerable interest for a variety of applications in health, industry, and science areas. Self-driven visible-blind photodetectors represent an appealing type of sensor, due to the reduced size and high flexibility. In this work, we employed BaTiO3 (BTO) single crystals with a bandgap of 3.2 eV for the realization of a self-driven ultraviolet detector, by utilizing the ferroelectric properties of BTO. We found that the sign of the photocurrent can be reversed by flipping the ferroelectric polarization, which makes the photodetector suitable for electrical manipulation. The photoelectric performance of this photodetector was systematically investigated in terms of rectification character, stability of short-circuit photocurrent, spectral response, and transient photoelectric response. Particularly, the self-driven photodetectors based on BTO showed an ultrafast response time about 200 ps. It is expected that the present work can provide a route for the design of photodetectors based on ferroelectric oxides.

Ultrafast water sensing and thermal imaging by a metal-organic framework with switchable luminescence

PubMed Central

Chen, Ling; Ye, Jia-Wen; Wang, Hai-Ping; Pan, Mei; Yin, Shao-Yun; Wei, Zhang-Wen; Zhang, Lu-Yin; Wu, Kai; Fan, Ya-Nan; Su, Cheng-Yong

2017-01-01

A convenient, fast and selective water analysis method is highly desirable in industrial and detection processes. Here a robust microporous Zn-MOF (metal–organic framework, Zn(hpi2cf)(DMF)(H2O)) is assembled from a dual-emissive H2hpi2cf (5-(2-(5-fluoro-2-hydroxyphenyl)-4,5-bis(4-fluorophenyl)-1H-imidazol-1-yl)isophthalic acid) ligand that exhibits characteristic excited state intramolecular proton transfer (ESIPT). This Zn-MOF contains amphipathic micropores (<3 Å) and undergoes extremely facile single-crystal-to-single-crystal transformation driven by reversible removal/uptake of coordinating water molecules simply stimulated by dry gas blowing or gentle heating at 70 °C, manifesting an excellent example of dynamic reversible coordination behaviour. The interconversion between the hydrated and dehydrated phases can turn the ligand ESIPT process on or off, resulting in sensitive two-colour photoluminescence switching over cycles. Therefore, this Zn-MOF represents an excellent PL water-sensing material, showing a fast (on the order of seconds) and highly selective response to water on a molecular level. Furthermore, paper or in situ grown ZnO-based sensing films have been fabricated and applied in humidity sensing (RH<1%), detection of traces of water (<0.05% v/v) in various organic solvents, thermal imaging and as a thermometer. PMID:28665406

Extracellular matrix protein in calcified endoskeleton: a potential additive for crystal growth and design

NASA Astrophysics Data System (ADS)

Azizur Rahman, M.; Fujimura, Hiroyuki; Shinjo, Ryuichi; Oomori, Tamotsu

2011-06-01

In this study, we demonstrate a key function of extracellular matrix proteins (ECMPs) on seed crystals, which are isolated from calcified endoskeletons of soft coral and contain only CaCO 3 without any living cells. This is the first report that an ECMP protein extracted from a marine organism could potentially influence in modifying the surface of a substrate for designing materials via crystallization. We previously studied with the ECMPs from a different type of soft coral ( Sinularia polydactyla) without introducing any seed crystals in the process , which showed different results. Thus, crystallization on the seed in the presence of ECMPs of present species is an important first step toward linking function to individual proteins from soft coral. For understanding this interesting phenomenon, in vitro crystallization was initiated in a supersaturated solution on seed particles of calcite (1 0 4) with and without ECMPs. No change in the crystal growth shape occurred without ECMPs present during the crystallization process. However, with ECMPs, the morphology and phase of the crystals in the crystallization process changed dramatically. Upon completion of crystallization with ECMPs, an attractive crystal morphology was found. Scanning electron microscopy (SEM) was utilized to observe the crystal morphologies on the seeds surface. The mineral phases of crystals nucleated by ECMPs on the seeds surface were examined by Raman spectroscopy. Although 50 mM Mg 2+ is influential in making aragonite in the crystallization process, the ECMPs significantly made calcite crystals even when 50 mM Mg 2+ was present in the process. Crystallization with the ECMP additive seems to be a technically attractive strategy to generate assembled micro crystals that could be used in crystals growth and design in the Pharmaceutical and biotechnology industries.

Do protein crystals nucleate within dense liquid clusters?

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

Maes, Dominique, E-mail: dommaes@vub.ac.be; Vorontsova, Maria A.; Potenza, Marco A. C.

2015-06-27

The evolution of protein-rich clusters and nucleating crystals were characterized by dynamic light scattering (DLS), confocal depolarized dynamic light scattering (cDDLS) and depolarized oblique illumination dark-field microscopy. Newly nucleated crystals within protein-rich clusters were detected directly. These observations indicate that the protein-rich clusters are locations for crystal nucleation. Protein-dense liquid clusters are regions of high protein concentration that have been observed in solutions of several proteins. The typical cluster size varies from several tens to several hundreds of nanometres and their volume fraction remains below 10{sup −3} of the solution. According to the two-step mechanism of nucleation, the protein-rich clustersmore » serve as locations for and precursors to the nucleation of protein crystals. While the two-step mechanism explained several unusual features of protein crystal nucleation kinetics, a direct observation of its validity for protein crystals has been lacking. Here, two independent observations of crystal nucleation with the proteins lysozyme and glucose isomerase are discussed. Firstly, the evolutions of the protein-rich clusters and nucleating crystals were characterized simultaneously by dynamic light scattering (DLS) and confocal depolarized dynamic light scattering (cDDLS), respectively. It is demonstrated that protein crystals appear following a significant delay after cluster formation. The cDDLS correlation functions follow a Gaussian decay, indicative of nondiffusive motion. A possible explanation is that the crystals are contained inside large clusters and are driven by the elasticity of the cluster surface. Secondly, depolarized oblique illumination dark-field microscopy reveals the evolution from liquid clusters without crystals to newly nucleated crystals contained in the clusters to grown crystals freely diffusing in the solution. Collectively, the observations indicate that the protein-rich clusters in lysozyme and glucose isomerase solutions are locations for crystal nucleation.« less

Energy minimization in nematic liquid crystal systems driven by geometric confinement and temperature gradients with applications in colloidal systems

NASA Astrophysics Data System (ADS)

Kolacz, Jakub

We first explore the topology of liquid crystals and look at the fundamental limitations of liquid crystals in confined geometries. The properties of liquid crystal droplets are studied both theoretically and through simulations. We then demonstrate a method of chemically patterning surfaces that allows us to generate periodic arrays of micron-sized liquid crystal droplets and compare them to our simulation results. The parallelizable method of self-localizing liquid crystals using 2D chemical patterning developed here has applications in liquid crystal biosensors and lens arrays. We also present the first work looking at colloidal liquid crystals under the guise of thermophoresis. We observe that strong negative thermophoresis occurs in these systems and develop a theory based on elastic energy minimization. We also calculate a Soret coefficient two orders of magnitude larger than those present in the literature. This large Soret coefficient has considerable potential for improving thermophoretic sorting mechanisms such as Thermal-Field Flow Fractionation and MicroScale Thermophoresis. The final piece of this work demonstrates a method of using projection lithography to polymerize liquid crystal colloids with a defined internal director. While still a work in progress, there is potential for generating systems of active colloids that can change shape upon external stimulus and in the generation of self-folding shapes by selective polymerization and director predetermination in the vain of micro-kirigami.

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.

Self-reporting inhibitors: single crystallization process to get two optically pure enantiomers.

PubMed

Wan, Xinhua; Ye, Xichong; Cui, Jiaxi; Li, Bowen; Li, Na; Zhang, Jie

2018-05-22

Collection of two optically pure enantiomers in a single crystallization process can significantly increase the chiral separation efficiency but it's hard to realize nowadays. Herein we describe, for the first time, a self-reporting strategy for visualizing the crystallization process by a kind of dyed self-assembled inhibitors made from the copolymers with tri(ethylene glycol)-grafting polymethylsiloxane as main chains and poly(N6-methacryloyl-L-lysine) as side chains. When applied with seeds together for the fractional crystallization of conglomerates, the inhibitors can label the formation of the secondary crystals and guide us to completely separate the crystallization process of two enantiomers with colorless crystals as the first product and red crystals as the secondary product. This method leads to high optical purity of D/L-Asn·H2O (99.9 ee% for D-crystals and 99.5 ee% for L-crystals) in a single crystallization process. Moreover, it requires low feeding amount of additives and shows excellent recyclability. We foresee its great potential in developing novel chiral separation methods that can be used in different scales. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

An Interactive Computer Program for Simulating the Effects of Olivine Fractionation from Basaltic and Ultrabasic Liquids.

ERIC Educational Resources Information Center

Pearce, Thomas H.

1983-01-01

Describes interactive computer program (listing available from author) which simulates olivine fractionation from basaltic/ultrabasic liquid. The menu-driven nature of the program (for Apple II microcomputer) allows students to select ideal Rayleigh fractionation or equilibrium crystallization. (JN)

Optimized Wavelength-Tuned Nonlinear Frequency Conversion Using a Liquid Crystal Clad Waveguide

NASA Technical Reports Server (NTRS)

Stephen, Mark A. (Inventor)

2018-01-01

An optimized wavelength-tuned nonlinear frequency conversion process using a liquid crystal clad waveguide. The process includes implanting ions on a top surface of a lithium niobate crystal to form an ion implanted lithium niobate layer. The process also includes utilizing a tunable refractive index of a liquid crystal to rapidly change an effective index of the lithium niobate crystal.

Fast and scalable purification of a therapeutic full-length antibody based on process crystallization.

PubMed

Smejkal, Benjamin; Agrawal, Neeraj J; Helk, Bernhard; Schulz, Henk; Giffard, Marion; Mechelke, Matthias; Ortner, Franziska; Heckmeier, Philipp; Trout, Bernhardt L; Hekmat, Dariusch

2013-09-01

The potential of process crystallization for purification of a therapeutic monoclonal IgG1 antibody was studied. The purified antibody was crystallized in non-agitated micro-batch experiments for the first time. A direct crystallization from clarified CHO cell culture harvest was inhibited by high salt concentrations. The salt concentration of the harvest was reduced by a simple pretreatment step. The crystallization process from pretreated harvest was successfully transferred to stirred tanks and scaled-up from the mL-scale to the 1 L-scale for the first time. The crystallization yield after 24 h was 88-90%. A high purity of 98.5% was reached after a single recrystallization step. A 17-fold host cell protein reduction was achieved and DNA content was reduced below the detection limit. High biological activity of the therapeutic antibody was maintained during the crystallization, dissolving, and recrystallization steps. Crystallization was also performed with impure solutions from intermediate steps of a standard monoclonal antibody purification process. It was shown that process crystallization has a strong potential to replace Protein A chromatography. Fast dissolution of the crystals was possible. Furthermore, it was shown that crystallization can be used as a concentrating step and can replace several ultra-/diafiltration steps. Molecular modeling suggested that a negative electrostatic region with interspersed exposed hydrophobic residues on the Fv domain of this antibody is responsible for the high crystallization propensity. As a result, process crystallization, following the identification of highly crystallizable antibodies using molecular modeling tools, can be recognized as an efficient, scalable, fast, and inexpensive alternative to key steps of a standard purification process for therapeutic antibodies. Copyright © 2013 Wiley Periodicals, Inc.

Influence of tartaric acid on linear-nonlinear optical and electrical properties of KH2PO4 crystal

NASA Astrophysics Data System (ADS)

Baig, M. I.; Anis, Mohd; Muley, G. G.

2017-10-01

KH2PO4 (KDOP) is widely demanded technological crystal for applications in laser driven photonic devices. Therefore, present article is focused to investigate the effect of tartaric acid (TA) on laser induced nonlinear optical properties of KDOP crystal. The optically transparent TA doped KDOP crystal of size 15 × 10 × 04 mm3 has been grown by slow solvent evaporation technique at 35 °C. The structural analysis of pure and TA doped KDOP crystal has been achieved by means of single crystal X-ray diffraction technique. The functional groups of TA doped KDOP crystal has been identified by means of Fourier transform infrared spectral analysis. The UV-visible studies have been performed to determine the optical transparency and evaluate the linear optical constants of pure and TA doped KDOP crystal. The Kurtz-Perry test has been employed to confirm the frequency doubling phenomenon of crystal and the SHG efficiency of TA doped KDOP crystal is found to be 5.68 times higher than that of standard KDP material. The Z-scan technique has been employed to explore the third order nonlinear optical (TONLO) refraction (n2), absorption (β) and susceptibility (χ3) of pure and TA doped KDOP crystal at 632.8 nm. The TA facilitated optical switching in TONLO response of KDOP crystal is found to be an interesting effect to examine. The laser damage threshold of TA doped KDOP crystal has been determined at 1064 nm using the Nd:YAG laser. The comparative electrical analysis on pure and TA doped KDOP crystal has been accomplished by means of dielectric and photoconductivity characterization studies.

Process-Driven Culture Learning in American KFL Classroom Settings

ERIC Educational Resources Information Center

Byon, Andrew Sangpil

2007-01-01

Teaching second language (L2) culture can be either content- or process-driven. The content-driven approach refers to explicit instruction of L2 cultural information. On the other hand, the process-driven approach focuses on students' active participation in cultural learning processes. In this approach, teachers are not only information…

Current trends in protein crystallization.

PubMed

Gavira, José A

2016-07-15

Proteins belong to the most complex colloidal system in terms of their physicochemical properties, size and conformational-flexibility. This complexity contributes to their great sensitivity to any external change and dictate the uncertainty of crystallization. The need of 3D models to understand their functionality and interaction mechanisms with other neighbouring (macro)molecules has driven the tremendous effort put into the field of crystallography that has also permeated other fields trying to shed some light into reluctant-to-crystallize proteins. This review is aimed at revising protein crystallization from a regular-laboratory point of view. It is also devoted to highlight the latest developments and achievements to produce, identify and deliver high-quality protein crystals for XFEL, Micro-ED or neutron diffraction. The low likelihood of protein crystallization is rationalized by considering the intrinsic polypeptide nature (folded state, surface charge, etc) followed by a description of the standard crystallization methods (batch, vapour diffusion and counter-diffusion), including high throughput advances. Other methodologies aimed at determining protein features in solution (NMR, SAS, DLS) or to gather structural information from single particles such as Cryo-EM are also discussed. Finally, current approaches showing the convergence of different structural biology techniques and the cross-methodologies adaptation to tackle the most difficult problems, are presented. Current advances in biomacromolecules crystallization, from nano crystals for XFEL and Micro-ED to large crystals for neutron diffraction, are covered with special emphasis in methodologies applicable at laboratory scale. Copyright © 2015 Elsevier Inc. All rights reserved.

Formation of Large (Approximately 100 micrometers) Ice Crystals Near the Tropical Tropopause

NASA Technical Reports Server (NTRS)

Jensen, E. J.; Pfister, L.; Bui, T. V.; Lawson, P.; Baker, B.; Mo, Q.; Baumgardner, D.; Weinstock, E. M.; Smith, J. B.; Moyer, E. J.;

Ikaite crystal distribution in Arctic winter sea ice and implications for CO2 system dynamics

NASA Astrophysics Data System (ADS)

Rysgaard, S.; Søgaard, D. H.; Cooper, M.; Pućko, M.; Lennert, K.; Papakyriakou, T. N.; Wang, F.; Geilfus, N. X.; Glud, R. N.; Ehn, J.; McGinnnis, D. F.; Attard, K.; Sievers, J.; Deming, J. W.; Barber, D.

2012-12-01

The precipitation of ikaite (CaCO3·6H2O) in polar sea ice is critical to the efficiency of the sea ice-driven carbon pump and potentially important to the global carbon cycle, yet the spatial and temporal occurrence of ikaite within the ice is poorly known. We report unique observations of ikaite in unmelted ice and vertical profiles of ikaite abundance and concentration in sea ice for the crucial season of winter. Ice was examined from two locations: a 1 m thick land-fast ice site and a 0.3 m thick polynya site, both in the Young Sound area (74° N, 20° W) of NE Greenland. Ikaite crystals, ranging in size from a few µm to 700 µm were observed to concentrate in the interstices between the ice platelets in both granular and columnar sea ice. In vertical sea-ice profiles from both locations, ikaite concentration determined from image analysis, decreased with depth from surfaceice values of 700-900 µmol kg-1 ice (~ 25 × 106 crystals kg-1) to bottom-layer values of 100-200 µmol kg-1 ice (1-7 × 106 kg-1), all of which are much higher (4-10 times) than those reported in the few previous studies. Direct measurements of total alkalinity (TA) in surface layers fell within the same range as ikaite concentration whereas TA concentrations in bottom layers were twice as high. This depth-related discrepancy suggests interior ice processes where ikaite crystals form in surface sea ice layers and partly dissolved in bottom layers. From these findings and model calculations we relate sea ice formation and melt to observed pCO2 conditions in polar surface waters, and hence, the air-sea CO2 flux.

An Initial Study of the Fundamentals of Ice Crystal Icing Physics in the NASA Propulsion Systems Laboratory

NASA Technical Reports Server (NTRS)

Struk, Peter; Bartkus, Tadas; Tsao, Jen-Ching; Bencic, Timothy; King, Michael; Ratvasky, Thomas; Van Zante, Judith

2017-01-01

This presentation shows results from an initial study of the fundamental physics of ice-crystal ice accretion using the NASA Propulsion Systems Lab (PSL). Ice accretion due to the ingestion of ice-crystals is being attributed to numerous jet-engine power-loss events. The NASA PSL is an altitude jet-engine test facility which has recently added a capability to inject ice particles into the flow. NASA is evaluating whether this facility, in addition to full-engine and motor-driven-rig tests, can be used for more fundamental ice-accretion studies that simulate the different mixed-phase icing conditions along the core flow passage of a turbo-fan engine compressor. The data from such fundamental accretion tests will be used to help develop and validate models of the accretion process. The present study utilized a NACA0012 airfoil. The mixed-phase conditions were generated by partially freezing the liquid-water droplets ejected from the spray bars. This presentation shows data regarding (1) the freeze out characteristics of the cloud, (2) changes in aerothermal conditions due to the presence of the cloud, and (3) the ice accretion characteristics observed on the airfoil model. The primary variable in this test was the PSL plenum humidity which was systematically varied for two duct-exit-plane velocities (85 and 135 ms) as well as two particle size clouds (15 and 50 m MVDi). The observed clouds ranged from fully glaciated to fully liquid, where the liquid clouds were at least partially supercooled. The air total temperature decreased at the test section when the cloud was activated due to evaporation. The ice accretions observed ranged from sharp arrow-like accretions, characteristic of ice-crystal erosion, to cases with double-horn shapes, characteristic of supercooled water accretions.

An Initial Study of the Fundamentals of Ice Crystal Icing Physics in the NASA Propulsion Systems Laboratory

NASA Technical Reports Server (NTRS)

Struk, Peter M.; Ratvasky, Thomas P.; Bencic, Timothy J.; Van Zante, Judith F.; King, Michael C.; Tsao, Jen-Ching; Bartkus, Tadas P.

2017-01-01

This paper presents results from an initial study of the fundamental physics of ice-crystal ice accretion using the NASA Propulsion Systems Lab (PSL). Ice accretion due to the ingestion of ice-crystals is being attributed to numerous jet-engine power-loss events. The NASA PSL is an altitude jet-engine test facility which has recently added a capability to inject ice particles into the flow. NASA is evaluating whether this facility, in addition to full-engine and motor-driven-rig tests, can be used for more fundamental ice-accretion studies that simulate the different mixed-phase icing conditions along the core flow passage of a turbo-fan engine compressor. The data from such fundamental accretion tests will be used to help develop and validate models of the accretion process. The present study utilized a NACA0012 airfoil. The mixed-phase conditions were generated by partially freezing the liquid-water droplets ejected from the spray bars. This paper presents data regarding (1) the freeze out characteristics of the cloud, (2) changes in aerothermal conditions due to the presence of the cloud, and (3) the ice accretion characteristics observed on the airfoil model. The primary variable in this test was the PSL plenum humidity which was systematically varied for two duct-exit-plane velocities (85 and 135 ms) as well as two particle size clouds (15 and 50 m MVDi). The observed clouds ranged from fully glaciated to fully liquid, where the liquid clouds were at least partially supercooled. The air total temperature decreased at the test section when the cloud was activated due to evaporation. The ice accretions observed ranged from sharp arrow-like accretions, characteristic of ice-crystal erosion, to cases with double-horn shapes, characteristic of supercooled water accretions.

Intense X-ray and EUV light source

DOEpatents

Coleman, Joshua; Ekdahl, Carl; Oertel, John

2017-06-20

An intense X-ray or EUV light source may be driven by the Smith-Purcell effect. The intense light source may utilize intense electron beams and Bragg crystals. This may allow the intense light source to range from the extreme UV range up to the hard X-ray range.

The Pepsi Challenge: Building a Leader-Driven Organization.

ERIC Educational Resources Information Center

Tichy, Noel M.; DeRose, Christopher

1996-01-01

PepsiCo's change-leadership model starts with a teachable point of view, showing trainees how to think in different terms, develop a point of view, test it, crystallize the vision, and implement it. The human resources department plays an important role in articulating the point of view. (SK)

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.

The First United States Microgravity Laboratory

NASA Technical Reports Server (NTRS)

Powers, C. Blake (Editor); Shea, Charlotte; Mcmahan, Tracy; Accardi, Denise; Mikatarian, Jeff

1991-01-01

The United States Microgravity Laboratory (USML-1) is one part of a science and technology program that will open NASA's next great era of discovery and establish the United States' leadership in space. A key component in the preparation for this new age of exploration, the USML-1 will fly in orbit for extended periods, providing greater opportunities for research in materials science, fluid dynamics, biotechnology, and combustion science. The major components of the USML-1 are the Crystal Growth Furnace, the Surface Tension Driven Convection Experiment (STDCE) Apparatus, and the Drop Physics Module. Other components of USML-1 include Astroculture, Generic Bioprocessing Apparatus, Extended Duration Orbiter Medical Project, Protein Crystal Growth, Space Acceleration Measurement System, Solid Surface Combustion Experiment, Zeolite Crystal Growth and Spacelab Glovebox provided by the European Space Agency.

Three-Dimensional Localized-Delocalized Anderson Transition in the Time Domain

NASA Astrophysics Data System (ADS)

Delande, Dominique; Morales-Molina, Luis; Sacha, Krzysztof

2017-12-01

Systems which can spontaneously reveal periodic evolution are dubbed time crystals. This is in analogy with space crystals that display periodic behavior in configuration space. While space crystals are modeled with the help of space periodic potentials, crystalline phenomena in time can be modeled by periodically driven systems. Disorder in the periodic driving can lead to Anderson localization in time: the probability for detecting a system at a fixed point of configuration space becomes exponentially localized around a certain moment in time. We here show that a three-dimensional system exposed to a properly disordered pseudoperiodic driving may display a localized-delocalized Anderson transition in the time domain, in strong analogy with the usual three-dimensional Anderson transition in disordered systems. Such a transition could be experimentally observed with ultracold atomic gases.

Gigantism in unique biogenic magnetite at the Paleocene-Eocene Thermal Maximum.

PubMed

Schumann, Dirk; Raub, Timothy D; Kopp, Robert E; Guerquin-Kern, Jean-Luc; Wu, Ting-Di; Rouiller, Isabelle; Smirnov, Aleksey V; Sears, S Kelly; Lücken, Uwe; Tikoo, Sonia M; Hesse, Reinhard; Kirschvink, Joseph L; Vali, Hojatollah

2008-11-18

We report the discovery of exceptionally large biogenic magnetite crystals in clay-rich sediments spanning the Paleocene-Eocene Thermal Maximum (PETM) in a borehole at Ancora, NJ. Aside from previously described abundant bacterial magnetofossils, electron microscopy reveals novel spearhead-like and spindle-like magnetite up to 4 microm long and hexaoctahedral prisms up to 1.4 microm long. Similar to magnetite produced by magnetotactic bacteria, these single-crystal particles exhibit chemical composition, lattice perfection, and oxygen isotopes consistent with an aquatic origin. Electron holography indicates single-domain magnetization despite their large crystal size. We suggest that the development of a thick suboxic zone with high iron bioavailability--a product of dramatic changes in weathering and sedimentation patterns driven by severe global warming--drove diversification of magnetite-forming organisms, likely including eukaryotes.

Photovoltaic effect and photopolarization in Pb [(Mg1/3Nb2/3) 0.68Ti0.32] O3 crystal

NASA Astrophysics Data System (ADS)

Makhort, A. S.; Chevrier, F.; Kundys, D.; Doudin, B.; Kundys, B.

2018-01-01

Ferroelectric materials are an alternative to semiconductor-based photovoltaics and offer the advantage of above bandgap photovoltage generation. However, there are few known compounds, and photovoltaic efficiencies remain low. Here, we report the discovery of a photovoltaic effect in undoped lead magnesium niobate-lead titanate crystal and a significant improvement in the photovoltaic response under suitable electric fields and temperatures. The photovoltaic effect is maximum near the electric-field-driven ferroelectric dipole reorientation, and increases threefold near the Curie temperature (Tc). Moreover, at ferroelectric saturation, the photovoltaic response exhibits clear remanent and transient effects. The transient-remanent combinations together with electric and thermal tuning possibilities indicate photoferroelectric crystals as emerging elements for photovoltaics and optoelectronics, relevant to all-optical information storage and beyond.

Gettering of donor impurities by V in GaAs and the growth of semi-insulating crystals

NASA Technical Reports Server (NTRS)

Ko, K. Y.; Lagowski, J.; Gatos, H. C.

1989-01-01

Vanadium added to the GaAs melt getters shallow donor impurities (Si and S) and decreases their concentration in the grown crystals. This gettering is driven by chemical reactions in the melt rather than in the solid. Employing V gettering, reproducibly semi-insulating GaAs were grown by horizontal Bridgman and liquid-encapsulated Czochralski techniques, although V did not introduce any midgap energy levels. The compensation mechanism in these crystals was controlled by the balance between the native midgap donor EL2 and residual shallow acceptors. Vanadium gettering contributed to the reduction of the concentration of shallow donors below the concentration of acceptors. The present findings clarify the long-standing controversy on the role of V in achieving semi-insulating GaAs.

High-resolution monochromatic x-ray imaging system based on spherically bent crystals.

PubMed

Aglitskiy, Y; Lehecka, T; Obenschain, S; Bodner, S; Pawley, C; Gerber, K; Sethian, J; Brown, C M; Seely, J; Feldman, U; Holland, G

1998-08-01

We have developed an improved x-ray imaging system based on spherically curved crystals. It is designed and used for diagnostics of targets ablatively accelerated by the Nike KrF laser. A spherically curved quartz crystal (d = .?, R = mm) has been used to produce monochromatic backlit images with the He-like Si resonance line (1865 eV) as the source of radiation. The spatial resolution of the x-ray optical system is 1.7 mum in selected places and 2-3 mum over a larger area. Time-resolved backlit monochromatic images of polystyrene planar targets driven by the Nike facility have been obtained with a spatial resolution of 2.5 mum in selected places and 5 mum over the focal spot of the Nike laser.

Causes of fragmented crystals in ignimbrites: a case study of the Cardones ignimbrite, Northern Chile

NASA Astrophysics Data System (ADS)

van Zalinge, M. E.; Cashman, K. V.; Sparks, R. S. J.

2018-03-01

Broken crystals have been documented in many large-volume caldera-forming ignimbrites and can help to understand the role of crystal fragmentation in both eruption and compaction processes, the latter generally overlooked in the literature. This study investigates the origin of fragmented crystals in the > 1260 km3, crystal-rich Cardones ignimbrites located in the Central Andes. Observations of fragmented crystals in non-welded pumice clasts indicate that primary fragmentation includes extensive crystal breakage and an associated ca. 5 vol% expansion of individual crystals while preserving their original shapes. These observations are consistent with the hypothesis that crystals fragment in a brittle response to rapid decompression associated with the eruption. Additionally, we observe that the extent of crystal fragmentation increases with increasing stratigraphic depth in the ignimbrite, recording secondary crystal fragmentation during welding and compaction. Secondary crystal fragmentation aids welding and compaction in two ways. First, enhanced crystal fragmentation at crystal-crystal contacts accommodates compaction along the principal axis of stress. Second, rotation and displacement of individual crystal fragments enhances lateral flow in the direction(s) of least principal stress. This process increases crystal aspect ratios and forms textures that resemble mantled porphyroclasts in shear zones, indicating lateral flow adds to processes of compaction and welding alongside bubble collapse. In the Cardones ignimbrite, secondary fragmentation commences at depths of 175-250 m (lithostatic pressures 4-6 MPa), and is modulated by both the overlying crystal load and the time spent above the glass transition temperature. Under these conditions, the existence of force-chains can produce stresses at crystal-crystal contacts of a few times the lithostatic pressure. We suggest that documenting crystal textures, in addition to conventional welding parameters, can provide useful information about welding processes in thick crystal-rich ignimbrites.

Probing periodic potential of crystals via strong-field re-scattering

NASA Astrophysics Data System (ADS)

You, Yong Sing; Cunningham, Eric; Reis, David A.; Ghimire, Shambhu

2018-06-01

Strong-field ionization and re-scattering phenomena have been used to image angstrom-scale structures of isolated molecules in the gas phase. These methods typically make use of the anisotropic response of the participating molecular orbital. Recently, an anisotropic strong-field response has also been observed in high-order harmonic generation (HHG) from bulk crystals (2016 Nat. Phys. 13 345). In a (100) cut magnesium oxide crystal, extreme ultraviolet high-harmonics are found to depend strongly on the crystal structure and inter-atomic bonding. Here, we extend these measurements to other two important crystal orientations: (111) and (110). We find that HHG from these orientations is also strongly anisotropic. The underlying dynamics is understood using a real-space picture, where high-harmonics are produced via coherent collision of strong-field driven electrons from the atomic sites, including from the nearest neighbor atoms. We find that harmonic efficiency is enhanced when semi-classical electron trajectories connect to the concentrated valence charge distribution regions around the atomic cores. Similarly, the efficiency is suppressed when the trajectories miss the atomic cores. These results further support the real-space picture of HHG with implications for retrieving the periodic potential of the crystal, if not the wavefunctions in three-dimensions.

Interface Shape and Convection During Solidification and Melting of Succinonitrile

NASA Technical Reports Server (NTRS)

Degroh, Henry C., III; Lindstrom, Tiffany

1994-01-01

An experimental study was conducted of the crystal growth of succinonitrile during solidification, melting, and no-growth conditions using a horizontal Bridgman furnace and square glass ampoule. For use as input boundary conditions to numerical codes, thermal profiles on the outside of the ampoule at five locations around its periphery were measured along the ampoule's length. Temperatures inside the ampoule were also measured. The shapes of the s/l interface in various two dimensional planes were quantitatively determined. Though interfaces were nondendritic and noncellular, they were not flat, but were highly curved and symmetric in only one unique longitudinal y-z plane (at x=O). The shapes of the interface were dominated by the primary longitudinal flow cell characteristic of shallow cavity flow in horizontal Bridgman; this flow cell was driven by the imposed furnace temperature gradient and caused a 'radical' thermal gradient such that the upper half of the ampoule was hotter than the bottom half. We believe that due to the strong convection, the release of latent heat does not significantly influence the thermal conditions near the interface. We hope that the interface shape and thermal data presented in this paper can be used to optimize crystal growth processes and validate numerical models.

Adsorption of quantum dots onto polymer and Gemini surfactant films: a quartz crystal microbalance study.

PubMed

Alejo, T; Merchán, M D; Velázquez, M M

2014-08-26

We used quartz crystal microbalance with dissipation to study the mechanical properties, the kinetics of adsorption, and the amount of CdSe quantum dots (QDs) adsorbed onto a SiO2 sensor, referred as bare sensor, onto the sensor modified with a film of the polymer poly(maleic anhydride-alt-1-octadecene), PMAO, or with a film of the Gemini surfactant ethyl-bis(dimethyl octadecyl ammonium bromide), abbreviated as 18-2-18. Results showed that when the sensor is coated with polymer or surfactant molecules, the coverage increases compared with that obtained for the bare sensor. On the other hand, rheological properties and kinetics of adsorption of QDs are driven by QD nanoparticles. Thus, the QD films present elastic behavior, and the elasticity values are independent of the molecule used as coating and similar to the elasticity value obtained for QDs films on the bare sensor. The QD adsorption is a two-step mechanism in which the fastest process is attributed to the QD adsorption onto the solid substrate and the slowest one is ascribed to rearrangement movements of the nanoparticles adsorbed at the surface.

The effect of an external electric field on the growth of incongruent-melting material

NASA Astrophysics Data System (ADS)

Uda, Satoshi; Huang, Xinming; Wang, Shou-Qi

2005-02-01

The significance of an electric field on the crystallization process is differentiated into two consequences; (i) thermodynamic effect and (ii) growth-dynamic effect. The former modifies the chemical potential of the associated phases which changes the equilibrium phase relationship while the latter influences the solute transport, growth kinetics, surface creation and defect generation during growth. The intrinsic electric field generating during growth is attributed to the crystallization-related electromotive force and the thermoelectric power driven by the temperature gradient at the interface which influences the solute transport and solute partitioning. The external electric field was applied to the growth apparatus in the ternary system of La2O3- Ga2O3- SiO2 so that the chemical potential of both solid and liquid phases changed leading to the variation of the equilibrium phase relationship. Imposing a 500 V/cm electric field on the system moved the boundary of primary phase field of lanthanum gallate ( LaGaO3) and Ga-bearing lanthanum silicate ( La14GaxSi9-xO) toward the SiO2 apex by 5 mol% which clearly demonstrated the change of the phase relationship by the external electric field.

Crystal Structure of 4,6-α-Glucanotransferase Supports Diet-Driven Evolution of GH70 Enzymes from α-Amylases in Oral Bacteria.

PubMed

Bai, Yuxiang; Gangoiti, Joana; Dijkstra, Bauke W; Dijkhuizen, Lubbert; Pijning, Tjaard

2017-02-07

Food processing and refining has dramatically changed the human diet, but little is known about whether this affected the evolution of enzymes in human microbiota. We present evidence that glycoside hydrolase family 70 (GH70) glucansucrases from lactobacilli, synthesizing α-glucan-type extracellular polysaccharides from sucrose, likely evolved from GH13 starch-acting α-amylases, via GH70 4,6-α-glucanotransferases. The crystal structure of a 4,6-α-glucanotransferase explains the mode of action and unique product specificity of these enzymes. While the α-amylase substrate-binding scaffold is retained, active-site loops adapted to favor transglycosylation over hydrolysis; the structure also gives clues as to how 4,6-α-glucanotransferases may have evolved further toward sucrose utilization instead of starch. Further supported by genomic, phylogenetic, and in vivo studies, we propose that dietary changes involving starch (and starch derivatives) and sucrose intake were critical factors during the evolution of 4,6-α-GTs and glucansucrases from α-amylases, allowing oral bacteria to produce extracellular polymers that contribute to biofilm formation from different substrates. Copyright © 2017 Elsevier Ltd. All rights reserved.

Electric-field-induced domain intersection in BaTiO3 single crystal

NASA Astrophysics Data System (ADS)

He, Ming; Wang, Mengxia; Zhang, Zhihua

2017-03-01

Large-angle convergent beam electron diffraction was used to determine the directions of polarization vectors in a BaTiO3 single crystal. Domain intersections driven by an electric field were investigated by in situ transmission electron microscopy. The dark triangles observed in the domain intersection region can be accounted for by dislocations and the strain field. Domains nucleate at the domain tip depending on the dislocations and strain field to relieve the accumulated stress. Schematic representations of the intersecting domains and the microscopic structure are given, clarifying the special electric-field-induced domain structure.

Dynamic integral imaging technology for 3D applications (Conference Presentation)

NASA Astrophysics Data System (ADS)

Huang, Yi-Pai; Javidi, Bahram; Martínez-Corral, Manuel; Shieh, Han-Ping D.; Jen, Tai-Hsiang; Hsieh, Po-Yuan; Hassanfiroozi, Amir

2017-05-01

Depth and resolution are always the trade-off in integral imaging technology. With the dynamic adjustable devices, the two factors of integral imaging can be fully compensated with time-multiplexed addressing. Those dynamic devices can be mechanical or electrical driven. In this presentation, we will mainly focused on discussing various Liquid Crystal devices which can change the focal length, scan and shift the image position, or switched in between 2D/3D mode. By using the Liquid Crystal devices, dynamic integral imaging have been successfully applied on 3D Display, capturing, and bio-imaging applications.

Investigation of Vibrational Control of the Bridgman Crystal Growth Technique

NASA Technical Reports Server (NTRS)

Fedoseyev, Alexandre I.

1998-01-01

The objectives are: Conduct a parametric theoretical and numerical investigation of vibro-convective buoyancy-driven flow in differentially heated cylindrical containers. Investigate buoyant vibro-convective transport regimes in Bridgman-type systems with a focus on the use of vibration to suppress, or control, convection in order to achieve transport control during crystal growth. Assess the feasibility of vibro-convective control as a means of offsetting "g-jitter" effects under microgravity conditions, Exchange information with the experimental group at the General Physics Institute (GPI) of the Russian Academy of Science who are undertaking a complementary experimental program.

Lateral electric-field control of giant magnetoresistance in Co/Cu/Fe/BaTiO{sub 3} multiferroic heterostructure

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

Savitha Pillai, S.; Kojima, H.; Itoh, M.

2015-08-17

We report lateral electric-field-driven sizable changes in the magnetoresistance of Co/Cu/Fe tri-layered wires on BaTiO{sub 3} single crystal. While the observed change is marginal in the tetragonal phase of BaTiO{sub 3}, it reaches over 40% in the orthorhombic and rhombohedral phases with an electric field of 66 kV/cm. We attribute it to possible electric-field-induced variations of the spin-dependent electronic structures, i.e., spin polarization, of the Fe via interfacial strain transfer from BaTiO{sub 3}. The contrasting results for the different phases of BaTiO{sub 3} are discussed, associated with the distinct aspects of the ferroelectric polarization switching processes in each phase.

Light driven mesoscale assembly of a coordination polymeric gelator into flowers and stars with distinct properties† †Electronic supplementary information (ESI) available: Text, figures, and tables depicting different synthetic procedures, detailed experimental procedures, characterisation data including FT-IR, microscopic analyses, TGA, EDAX and SAED analyses, pore size distribution. See DOI: 10.1039/c5sc02233a Click here for additional data file.

PubMed Central

Mukhopadhyay, Rahul Dev; Praveen, Vakayil K.; Hazra, Arpan; Maji, Tapas Kumar

2015-01-01

Control over the self-assembly process of porous organic–inorganic hybrids often leads to unprecedented polymorphism and properties. Herein we demonstrate how light can be a powerful tool to intervene in the kinetically controlled mesoscale self-assembly of a coordination polymeric gelator. Ultraviolet light induced coordination modulation via photoisomerisation of an azobenzene based dicarboxylate linker followed by aggregation mediated crystal growth resulted in two distinct morphological forms (flowers and stars), which show subtle differences in their physical properties. PMID:28757961

Two-dimensional protein crystals (S-layers): fundamentals and applications.

PubMed

Sleytr, U B; Sára, M; Messner, P; Pum, D

1994-10-01

Two-dimensional crystalline surface layers (S-layers) composed of protein or glycoprotein subunits are one of the most commonly observed prokaryotic cell envelope structures. Isolated S-layer subunits are endowed with the ability to assemble into monomolecular arrays in suspension, on surfaces or interfaces by an entropy-driven process. S-layer lattices are isoporous structures with functional groups located on the surface in an identical position and orientation. These characteristic features have already led to applications of S-layers as (1) ultrafiltration membranes with well-defined molecular weight cut-offs and excellent antifouling characteristics, (2) immobilization matrices for functional molecules as required for affinity and enzyme membranes, affinity microcarriers and biosensors, (3) conjugate vaccines, (4) carriers for Langmuir-Blodgett films and reconstituted biological membranes, and (5) patterning elements in molecular nanotechnology.

Reentrant equilibrium disordering in nanoparticle–polymer mixtures

DOE PAGES

Meng, Dong; Kumar, Sanat K.; Grest, Gary S.; ...

2017-01-31

A large body of experimental work has established that athermal colloid/polymer mixtures undergo a sequence of transitions from a disordered fluid state to a colloidal crystal to a second disordered phase with increasing polymer concentration. These transitions are driven by polymer-mediated interparticle attraction, which is a function of both the polymer density and size. It has been posited that the disordered state at high polymer density is a consequence of strong interparticle attractions that kinetically inhibit the formation of the colloidal crystal, i.e., the formation of a non-equilibrium gel phase interferes with crystallization. Here we use molecular dynamics simulations andmore » density functional theory on polymers and nanoparticles (NPs) of comparable size and show that the crystal-disordered phase coexistence at high polymer density for sufficiently long chains corresponds to an equilibrium thermodynamic phase transition. While the crystal is, indeed, stabilized at intermediate polymer density by polymer-induced intercolloid attractions, it is destabilized at higher densities because long chains lose significant configurational entropy when they are forced to occupy all of the crystal voids. Finally, our results are in quantitative agreement with existing experimental data and show that, at least in the nanoparticle limit of sufficiently small colloidal particles, the crystal phase only has a modest range of thermodynamic stability.« less

Method for reducing energy losses in laser crystals

DOEpatents

Atherton, L.J.; DeYoreo, J.J.; Roberts, D.H.

1992-03-24

A process for reducing energy losses in crystals is disclosed which comprises: a. heating a crystal to a temperature sufficiently high as to cause dissolution of microscopic inclusions into the crystal, thereby converting said inclusions into point-defects, and b. maintaining said crystal at a given temperature for a period of time sufficient to cause said point-defects to diffuse out of said crystal. Also disclosed are crystals treated by the process, and lasers utilizing the crystals as a source of light. 12 figs.

Method for reducing energy losses in laser crystals

DOEpatents

Atherton, L. Jeffrey; DeYoreo, James J.; Roberts, David H.

1992-01-01

A process for reducing energy losses in crystals is disclosed which comprises: a. heating a crystal to a temperature sufficiently high as to cause dissolution of microscopic inclusions into the crystal, thereby converting said inclusions into point-defects, and b. maintaining said crystal at a given temperature for a period of time sufficient to cause said point-defects to diffuse out of said crystal. Also disclosed are crystals treated by the process, and lasers utilizing the crystals as a source of light.

Time-resolved Sensing of Meso-scale Shock Compression with Multilayer Photonic Crystal Structures

NASA Astrophysics Data System (ADS)

Scripka, David; Lee, Gyuhyon; Summers, Christopher J.; Thadhani, Naresh

2017-06-01

Multilayer Photonic Crystal structures can provide spatially and temporally resolved data needed to validate theoretical and computational models relevant for understanding shock compression in heterogeneous materials. Two classes of 1-D photonic crystal multilayer structures were studied: optical microcavities (OMC) and distributed Bragg reflectors (DBR). These 0.5 to 5 micron thick structures were composed of SiO2, Al2O3, Ag, and PMMA layers fabricated primarily via e-beam evaporation. The multilayers have unique spectral signatures inherently linked to their time-resolved physical states. By observing shock-induced changes in these signatures, an optically-based pressure sensor was developed. Results to date indicate that both OMCs and DBRs exhibit nanosecond-resolved spectral shifts of several to 10s of nanometers under laser-driven shock compression loads of 0-10 GPa, with the magnitude of the shift strongly correlating to the shock load magnitude. Additionally, spatially and temporally resolved spectral shifts under heterogeneous laser-driven shock compression created by partial beam blocking have been successfully demonstrated. These results illustrate the potential for multilayer structures to serve as meso-scale sensors, capturing temporal and spatial pressure profile evolutions in shock-compressed heterogeneous materials, and revealing meso-scale pressure distributions across a shocked surface. Supported by DTRA Grant HDTRA1-12-1-005 and DoD, AFOSR, National Defense Science and Eng. Graduate Fellowship, 32 CFR 168a.

Polydopamine-Coated Main-Chain Liquid Crystal Elastomer as Optically Driven Artificial Muscle.

PubMed

Tian, Hongmiao; Wang, Zhijian; Chen, Yilong; Shao, Jinyou; Gao, Tong; Cai, Shengqiang

2018-03-07

Optically driven active materials have received much attention because their deformation and motion can be controlled remotely, instantly, and precisely in a contactless way. In this study, we investigated an optically actuated elastomer with rapid response: polydopamine (PDA)-coated liquid crystal elastomer (LCE). Because of the photothermal effect of PDA coating and thermal responsiveness of LCE, the elastomer film contracted significantly with near-infrared (NIR) irradiation. With a fixed strain, light-induced actuating stress in the film could be as large as 1.5 MPa, significantly higher than the maximum stress generated by most mammalian skeletal muscle (0.35 MPa). The PDA-coated LCE films could also bend or roll up by surface scanning of an NIR laser. The response time of the film to light exposure could be as short as 1/10 of a second, comparable to or even faster than that of mammalian skeletal muscle. Using the PDA-coated LCE film, we designed and fabricated a prototype of robotic swimmer that was able to swim near the water-air interface by performing "swimming strokes" through reversible bending and unbending motions induced and controlled by an NIR laser. The results presented in this study clearly demonstrated that PDA-coated LCE is a promising optically driven artificial muscle, which may have great potential for applications of soft robotics and optomechanical coupling devices.

The Earth: Kinda like a Mai Tai?

NASA Astrophysics Data System (ADS)

Jellinek, M.

2005-12-01

Many problems in the Earth sciences involve fluid flow. Examples include the formation and differentiation of planets, mantle convection, plate tectonics, the generation of planetary magnetic fields, the generation, rise, and chemical differentiation of magmas, crystal nucleation and growth, sedimentation and mechanical erosion at riverbeds, and circulation in the atmosphere and oceans. In each of these situations fluid motions arise as a result of balances among body forces (e.g. effects of gravitational and magnetic fields) and (or) surface forces (e.g. effects of surface tension, shear and pressure gradients). Processes in which such force balance arise naturally are examples of ``Natural convection''. Familiar examples of natural convection include thermally-driven motions above a radiator in a cold room or inside a pot of pasta sauce warmed on a stove. Analog fluid mechanics experiments are a useful and fun way to isolate and learn about the mechanics of such processes. Experiments need not be done in a fluid dynamics laboratory. Indeed some of the most interesting occur in your favorite cocktails. In this demonstration I first use household materials from the kitchen and from the liquor cabinet to isolate and build understanding of individual examples of convection driven by thermal, compositional and surface tension effects over a range of conditions. Next, using more complicated experiments with actual and analog bar drinks I will present and analyze a number of coupled convective processes and also address the role of the rheology of the working fluids. In particular, the structure, transport and mixing properties of the motions are investigated.

Periodic changes in effluent chemistry at cold-water geyser: Crystal geyser in Utah

DOE PAGES

Han, Weon Shik; Watson, Z. T.; Kampman, Niko; ...

2017-04-20

Crystal geyser is a CO 2-driven cold-water geyser which was originally drilled in the late 1930’s in Green River, Utah. By utilizing a suite of temporal groundwater sample datasets, in situ monitoring of temperature, pressure, pH and electrical conductivity from multiple field trips to Crystal geyser from 2007 to 2014, periodic trends in groundwater chemistry from the geyser effluent were identified. Based on chemical characteristics, the primary sourcing aquifers are characterized to be both the Entrada and Navajo Sandstones with a minor contribution from Paradox Formation brine. The single eruption cycle at Crystal geyser lasted over four days and wasmore » composed of four parts: Minor Eruption (mEP), Major Eruption (MEP), Aftershock Eruption (Ae) and Recharge (R). During the single eruption cycle, dissolved ionic species vary 0–44% even though the degree of changes for individual ions are different. Generally, Na +, K +, Cl -and SO 4 2- regularly decrease at the onset and throughout the MEP. These species then increase in concentration during the mEP. In contrast, Ca 2+, Mg 2+, Fe 2+ and Sr 2+ increase and decrease in concentration during the MEP and mEP, respectively. The geochemical inverse modeling with PHREEQC was conducted to characterize the contribution from three end-members (Entrada Sandstone, Navajo Sandstone and Paradox Formation brine) to the resulting Crystal geyser effluent. Results of the inverse modeling showed that, during the mEP, the Navajo, Entrada and brine supplied 62–65%, 36–33% and 1–2%, respectively. During the MEP, the contribution shifted to 53–56%, 45–42% and 1–2% for the Navajo, Entrada and Paradox Formation brine, respectively. Finally, these changes in effluent characteristics further support the hypothesis by Watson et al. (2014) that the mEP and MEP are driven by different sources and mechanisms.« less

Periodic changes in effluent chemistry at cold-water geyser: Crystal geyser in Utah

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

Han, Weon Shik; Watson, Z. T.; Kampman, Niko

Crystal geyser is a CO 2-driven cold-water geyser which was originally drilled in the late 1930’s in Green River, Utah. By utilizing a suite of temporal groundwater sample datasets, in situ monitoring of temperature, pressure, pH and electrical conductivity from multiple field trips to Crystal geyser from 2007 to 2014, periodic trends in groundwater chemistry from the geyser effluent were identified. Based on chemical characteristics, the primary sourcing aquifers are characterized to be both the Entrada and Navajo Sandstones with a minor contribution from Paradox Formation brine. The single eruption cycle at Crystal geyser lasted over four days and wasmore » composed of four parts: Minor Eruption (mEP), Major Eruption (MEP), Aftershock Eruption (Ae) and Recharge (R). During the single eruption cycle, dissolved ionic species vary 0–44% even though the degree of changes for individual ions are different. Generally, Na +, K +, Cl -and SO 4 2- regularly decrease at the onset and throughout the MEP. These species then increase in concentration during the mEP. In contrast, Ca 2+, Mg 2+, Fe 2+ and Sr 2+ increase and decrease in concentration during the MEP and mEP, respectively. The geochemical inverse modeling with PHREEQC was conducted to characterize the contribution from three end-members (Entrada Sandstone, Navajo Sandstone and Paradox Formation brine) to the resulting Crystal geyser effluent. Results of the inverse modeling showed that, during the mEP, the Navajo, Entrada and brine supplied 62–65%, 36–33% and 1–2%, respectively. During the MEP, the contribution shifted to 53–56%, 45–42% and 1–2% for the Navajo, Entrada and Paradox Formation brine, respectively. Finally, these changes in effluent characteristics further support the hypothesis by Watson et al. (2014) that the mEP and MEP are driven by different sources and mechanisms.« less

High-quality bulk hybrid perovskite single crystals within minutes by inverse temperature crystallization

NASA Astrophysics Data System (ADS)

Saidaminov, Makhsud I.; Abdelhady, Ahmed L.; Murali, Banavoth; Alarousu, Erkki; Burlakov, Victor M.; Peng, Wei; Dursun, Ibrahim; Wang, Lingfei; He, Yao; Maculan, Giacomo; Goriely, Alain; Wu, Tom; Mohammed, Omar F.; Bakr, Osman M.

2015-07-01

Single crystals of methylammonium lead trihalide perovskites (MAPbX3; MA=CH3NH3+, X=Br- or I-) have shown remarkably low trap density and charge transport properties; however, growth of such high-quality semiconductors is a time-consuming process. Here we present a rapid crystal growth process to obtain MAPbX3 single crystals, an order of magnitude faster than previous reports. The process is based on our observation of the substantial decrease of MAPbX3 solubility, in certain solvents, at elevated temperatures. The crystals can be both size- and shape-controlled by manipulating the different crystallization parameters. Despite the rapidity of the method, the grown crystals exhibit transport properties and trap densities comparable to the highest quality MAPbX3 reported to date. The phenomenon of inverse or retrograde solubility and its correlated inverse temperature crystallization strategy present a major step forward for advancing the field on perovskite crystallization.

Understanding the monotonous life of open vent mafic volcanoes

NASA Astrophysics Data System (ADS)

Costa Rodriguez, F.; Ruth, D. C. S.; Bornas, M.; Rivera, D. J. V. I.

2016-12-01

Mafic open vent volcanoes display prominent degassing plumes during quiescence but also erupt frequently, every few months or years. Their small and mildly explosive eruptions (<0.1 km3, VEI 2-3) typically produce the same magma composition and phenocryst content for decades (e.g. Arenal, Mayon, Llaima). This monotonous activity may be punctuated by subplinian or plinian events every hundred years or so. What processes drive the repetitive eruptions of the same magma composition for decades at these volcanoes? We address this question with a new dataset of nine historical eruptions that span the last 100 years of Mayon volcano (Philippines). All samples are basaltic andesitic (SiO2 55 wt%, 4 wt% MgO) with high phenocryst contents (50 ± 7 vol %). Plag shows numerous dissolution and sieve textures and alternating changes of composition (mainly An55 to An85). Opx (Mg# 60-86) and Cpx (Mg# 66-86) phenocrysts typically consist of low Mg/Fe subrounded cores with dissolution zones mantled by higher Mg/Fe rims. The low Mg/Fe cores ( 1000 ±15 °C) crystallized about 30 °C lower than the high Mg/Fe rims ( 1030 ±20 °C). H concentrations in pyroxenes and previously reported melt inclusion volatile contents indicate that the magma reservoir system extends at least to 5 km depth. Mg/Fe pyroxene zoning and diffusion modeling suggests that mafic magma intrusion in a shallow, crystal-rich and more evolved reservoir has occurred repeatedly. The time scale for this process is the same for all 9 events, starting about 2 years prior and continuing up to eruption. We estimate the relative proportions of injecting to resident magma that vary from about 0.2 to 0.7, probably reflecting the local crystal-melt interaction during intrusion. The near constant magma composition is probably the result of buffering of new incoming magma by a crystal-rich upper reservoir, and erupted magmas are physical mixtures. However, we do not find evidence of large-scale crystal recycling from one eruption to another, implying the resetting of the system after each event. The recurrent eruptions and intrusions could be driven by the near continuous degassing of the volcano that induces a mass imbalance which leads to magma movement from depth to the shallow system [e.g., 1]. [1] Girona et al. (2016). Science Reports doi:10.1038/srep18212

Tangled nonlinear driven chain reactions of all optical singularities

NASA Astrophysics Data System (ADS)

Vasil'ev, V. I.; Soskin, M. S.

2012-03-01

Dynamics of polarization optical singularities chain reactions in generic elliptically polarized speckle fields created in photorefractive crystal LiNbO3 was investigated in details Induced speckle field develops in the tens of minutes scale due to photorefractive 'optical damage effect' induced by incident beam of He-Ne laser. It was shown that polarization singularities develop through topological chain reactions of developing speckle fields driven by photorefractive nonlinearities induced by incident laser beam. All optical singularities (C points, optical vortices, optical diabolos,) are defined by instantaneous topological structure of the output wavefront and are tangled by singular optics lows. Therefore, they have develop in tangled way by six topological chain reactions driven by nonlinear processes in used nonlinear medium (photorefractive LiNbO3:Fe in our case): C-points and optical diabolos for right (left) polarized components domains with orthogonally left (right) polarized optical vortices underlying them. All elements of chain reactions consist from loop and chain links when nucleated singularities annihilated directly or with alien singularities in 1:9 ratio. The topological reason of statistics was established by low probability of far enough separation of born singularities pair from existing neighbor singularities during loop trajectories. Topology of developing speckle field was measured and analyzed by dynamic stokes polarimetry with few seconds' resolution. The hierarchy of singularities govern scenario of tangled chain reactions was defined. The useful space-time data about peculiarities of optical damage evolution were obtained from existence and parameters of 'islands of stability' in developing speckle fields.

In Situ High Temperature High Pressure MAS NMR Study on the Crystallization of AlPO 4 -5

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

Zhao, Zhenchao; Xu, Suochang; Hu, Mary Y.

2016-01-28

A damped oscillating crystallization process of AlPO4-5 at the presence of small amount of water is demonstrated by in situ high temperature high pressure multinuclear MAS NMR. Crystalline AlPO4-5 is formed from an intermediate semicrystalline phase via continuous rearrangement of the local structure of amorphous precursor gel. Activated water catalyzes the rearrangement via repeatedly hydrolysis and condensation reaction. Strong interactions between organic template and inorganic species facilitate the ordered rearrangement. During the crystallization process, excess water, phosphate, and aluminums are expelled from the precursor. The oscillating crystallization reflects mass transportation between the solid and liquid phase during the crystallization process.more » This crystallization process is also applicable to AlPO4-5 crystallized in the presence of a relatively large amount of water.« less

Evidence from mixed hydrate nucleation for a funnel model of crystallization.

PubMed

Hall, Kyle Wm; Carpendale, Sheelagh; Kusalik, Peter G

2016-10-25

The molecular-level details of crystallization remain unclear for many systems. Previous work has speculated on the phenomenological similarities between molecular crystallization and protein folding. Here we demonstrate that molecular crystallization can involve funnel-shaped potential energy landscapes through a detailed analysis of mixed gas hydrate nucleation, a prototypical multicomponent crystallization process. Through this, we contribute both: (i) a powerful conceptual framework for exploring and rationalizing molecular crystallization, and (ii) an explanation of phenomenological similarities between protein folding and crystallization. Such funnel-shaped potential energy landscapes may be typical of broad classes of molecular ordering processes, and can provide a new perspective for both studying and understanding these processes.

Evidence from mixed hydrate nucleation for a funnel model of crystallization

PubMed Central

Hall, Kyle Wm.; Carpendale, Sheelagh; Kusalik, Peter G.

2016-01-01

The molecular-level details of crystallization remain unclear for many systems. Previous work has speculated on the phenomenological similarities between molecular crystallization and protein folding. Here we demonstrate that molecular crystallization can involve funnel-shaped potential energy landscapes through a detailed analysis of mixed gas hydrate nucleation, a prototypical multicomponent crystallization process. Through this, we contribute both: (i) a powerful conceptual framework for exploring and rationalizing molecular crystallization, and (ii) an explanation of phenomenological similarities between protein folding and crystallization. Such funnel-shaped potential energy landscapes may be typical of broad classes of molecular ordering processes, and can provide a new perspective for both studying and understanding these processes. PMID:27790987

On-line monitoring of the crystallization process: relationship between crystal size and electrical impedance spectra

NASA Astrophysics Data System (ADS)

Zhao, Yanlin; Yao, Jun; Wang, Mi

2016-07-01

On-line monitoring of crystal size in the crystallization process is crucial to many pharmaceutical and fine-chemical industrial applications. In this paper, a novel method is proposed for the on-line monitoring of the cooling crystallization process of L-glutamic acid (LGA) using electrical impedance spectroscopy (EIS). The EIS method can be used to monitor the growth of crystal particles relying on the presence of an electrical double layer on the charged particle surface and the polarization of double layer under the excitation of alternating electrical field. The electrical impedance spectra and crystal size were measured on-line simultaneously by an impedance analyzer and focused beam reflectance measurement (FBRM), respectively. The impedance spectra were analyzed using the equivalent circuit model and the equivalent circuit elements in the model can be obtained by fitting the experimental data. Two equivalent circuit elements, including capacitance (C 2) and resistance (R 2) from the dielectric polarization of the LGA solution and crystal particle/solution interface, are in relation with the crystal size. The mathematical relationship between the crystal size and the equivalent circuit elements can be obtained by a non-linear fitting method. The function can be used to predict the change of crystal size during the crystallization process.

Tuning and Freezing Disorder in Photonic Crystals using Percolation Lithography

PubMed Central

Burgess, Ian B.; Abedzadeh, Navid; Kay, Theresa M.; Shneidman, Anna V.; Cranshaw, Derek J.; Lončar, Marko; Aizenberg, Joanna

2016-01-01

Although common in biological systems, synthetic self-assembly routes to complex 3D photonic structures with tailored degrees of disorder remain elusive. Here we show how liquids can be used to finely control disorder in porous 3D photonic crystals, leading to complex and hierarchical geometries. In these optofluidic crystals, dynamically tunable disorder is superimposed onto the periodic optical structure through partial wetting or evaporation. In both cases, macroscopic symmetry breaking is driven by subtle sub-wavelength variations in the pore geometry. These variations direct site-selective infiltration of liquids through capillary interactions. Incorporating cross-linkable resins into our liquids, we developed methods to freeze in place the filling patterns at arbitrary degrees of partial wetting and intermediate stages of drying. These percolation lithography techniques produced permanent photonic structures with adjustable disorder. By coupling strong changes in optical properties to subtle differences in fluid behavior, optofluidic crystals may also prove useful in rapid analysis of liquids. PMID:26790372

Short review of high-pressure crystal growth and magnetic and electrical properties of solid-state osmium oxides

NASA Astrophysics Data System (ADS)

Yamaura, Kazunari

2016-04-01

High-pressure crystal growth and synthesis of selected solid-state osmium oxides, many of which are perovskite-related types, are briefly reviewed, and their magnetic and electrical properties are introduced. Crystals of the osmium oxides, including NaOsO3, LiOsO3, and Na2OsO4, were successfully grown under high-pressure and high-temperature conditions at 6 GPa in the presence of an appropriate amount of flux in a belt-type apparatus. The unexpected discovery of a magnetic metal-insulator transition in NaOsO3, a ferroelectric-like transition in LiOsO3, and high-temperature ferrimagnetism driven by a local structural distortion in Ca2FeOsO6 may represent unique features of the osmium oxides. The high-pressure and high-temperature synthesis and crystal growth has played a central role in the development of solid-state osmium oxides and the elucidation of their magnetic and electronic properties toward possible use in multifunctional devices.

New XAFS Facility for In-Situ Measurements at Beamline C at HASYLAB

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

Rickers, K.; Drube, W.; Schulte-Schrepping, H.

2007-02-02

A XAFS-experiment allowing for in-situ experiments has been set up at DORIS bending magnet beamline C. For that purpose, a new double-crystal, UHV-compatible monochromator with fast scanning capability was designed. This fixed-exit monochromator uses two crystal sets on a common central rotation axis driven by an ex-vacuo goniometer. Bragg angles range from 5 deg. to 55.5 deg. resulting in a total energy range 2.3 - 43.4 keV using Si(111)/(311) crystal sets. Crystal pairs can be remotely selected by translating the vacuum chamber. Energy encoding is performed using an optical encoder system. The standard XAFS sample environment is set-up in vacuomore » and can be adapted for special sample environments. For in-situ experiments, the beamline is equipped with twelve gas lines. An exhaust line allows toxic/reactive gases to be handled. As an initial performance test of the instrument, Ti, Cr, Fe and Cu XAFS and Ce K-shell QEXAFS measurements were performed.« less

Chirality transfer technique between liquid crystal microdroplets using microfluidic systems

NASA Astrophysics Data System (ADS)

Guo, Jin-kun; Lee, Doyeon; Song, Jang-kun

2018-02-01

Cholesteric liquid crystal (LC) microdroplet is applied in many areas, such as tunable laser, biosensor, information display and security identification, due to its unique optical properties. The topological structure, defects, and photonic crystallinity in the cholesteric liquid crystal (LC) microdroplet can be controlled through the chirality. Here we report an interesting phenomenon that chirality information can be shared among dispersed LC microdroplets in surfactant aqueous solution, which is driven by the transferring of chiral dopant molecules. As a result, we developed an artificial molecule transfer technology which could in situ vary the material composition within the isolated dispersed microdroplets. The molecular transfer is switchable and the transfer speed is controllable by tuning the molecular solubility in continuous phase. Based on this technique, we manipulated, forward and backward, the topological evolution and the photonic crystal band-gap of the dispersed LC droplet. This technique is an easy and powerful experimental tool, and it may be applicable to other fields in optical application, biology, chemistry and material science.

SEPARATION OF TIN FROM ALLOYS

DOEpatents

Kattner, W.T.

1959-08-11

A process is described for recovering tin from bronze comprising melting the bronze; slowly cooling the melted metal to from 280 to 240 deg C whereby eta- phase bronze crystallizes; separating the eta-bronze crystals from the liquid metal by mechanical means; melting the separated crystals; slowly cooling the melted eta-crystals to a temperature from 520 to 420 deg C whereby crystals of epsilonbronze precipitate; removing said epsilon-crystals from the remaining molten metal; and reintroducing the remaining molten metal into the process for eta-crystallization.

Synthesis of anatase TiO2 nanoparticles with beta-cyclodextrin as a supramolecular shell.

PubMed

Li, Landong; Sun, Xiaohong; Yang, Yali; Guan, Naijia; Zhang, Fuxiang

2006-11-20

We report a novel, green hydrothermal-synthesis route to well-dispersed anatase TiO2 nanoparticles with particle sizes of 9-16 nm in the presence of beta-CD (beta-cyclodextrin). During the synthesis process, the CD-containing synthesis mixture assembled in both longitudinal and latitudinal directions. Driven by the interaction between molecules, the beta-CDs assembled in the longitudinal direction to form long-chain compounds, whereas in the latitudinal direction, they tended to form regular aggregates through coordination with the Ti species from the hydrolysis of tetrabutyl titanate. In view of the effect of the coordination and the steric hindrance of beta-CDs as a supramolecular shell, homogeneous nuclei and slow growth of TiO2 crystals during the synthesis process was observed, which was responsible for the formation of uniform TiO2 nanoparticles. The low beta-CD dosage and the high product yield (>90%) demonstrated well the potential of this synthesis route in the large-scale industrial production of anatase nanoparticles.

A simulation analysis of phase processing circuitry in the Ohio University Omega receiver prototype

NASA Technical Reports Server (NTRS)

Palkovic, R. A.

1975-01-01

A FORTRAN IV simulation study of the all-digital phase-processing circuitry is described. A digital phase-lock loop (DPLL) forms the heart of the Omega navigation receiver prototype, and through the DPLL, the phase of the 10.2 KHz Omega signal was estimated when the true signal phase is contaminated with noise. The DPLL uses a frequency synthesizer as the reference oscillator. The synthesizer is composed of synchronous rate multipliers (SRM's) driven by a temperature-compensated crystal oscillator, and the use of the SRM's in this application introduces phase jitter which degrades system performance. Simulation of the frequency synthesizer discussed was to analyze the circuits on a bit-by-bit level in order to evaluate the overall design, to see easily the effects of proposed design changes prior to actual breadboarding, to determine the optimum integration time for the DPLL in an environment typical of general aviation conditions, and to quantify the phase error introduced by the SRM synthesizer and examine its effect on the system.

Non-isothermal crystallization kinetics of eucalyptus lignosulfonate/polyvinyl alcohol composite.

PubMed

Ye, De-Zhan; Zhang, Xi; Gu, Shaojin; Zhou, Yingshan; Xu, Weilin

2017-04-01

The nonisothermal crystallinization kinetic was performed on Polyvinyl alcohol (PVA) mixed with eucalyptus lignosulfonate calcuim (HLS) as the biobased thermal stabilizer, which was systematically analyzed based on Jeziorny model, Ozawa equation and the Mo method. The results indicated that the entire crystallization process took place through two main stages involving the primary and secondary crystallization processes. The Mo method described nonisothermal crystallization behavior well. Based on the results of the half time for completing crystallization, k c value in Jeziorny model, F(T) value in Mo method and crystallization activation energy, it was concluded that low loading of HLS accelerated PVA crystallization process, however, the growth rate of PVA crystallization was impeded at high content of HLS. Copyright © 2017 Elsevier B.V. All rights reserved.

Modeling Episodic Ephemeral Brine Lake Evaporation and Salt Crystallization on the Bonneville Salt Flats, Utah

NASA Astrophysics Data System (ADS)

Liu, T.; Harman, C. J.; Kipnis, E. L.; Bowen, B. B.

2017-12-01

Public concern about apparent reductions in the areal extent of the Bonneville Salt Flat (BSF) and perceived changes in inundation frequency has motivated renewed interest in the hydrologic and geochemical behavior of this salt playa. In this study, we develop a numerical modeling framework to simulate the relationship between hydrometeorologic variability, brine evaporation and salt crystallization processes on BSF. The BSF, locates in Utah, is the remnant of paleo-lake Bonneville, and is capped by up to 1 meter of salt deposition over a 100 km2 area. The BSF has two distinct hydrologic periods each year: a winter wet periods with standing surface brine and the summer dry periods when the brine is evaporated, exposing the surface salt crust. We develop a lumped non-linear dynamical models coupling conservation expressions from water, dissolved salt and thermal energy to investigate the seasonal and diurnal behavior of brine during the transition from standing brine to exposed salt at BSF. The lumped dynamic models capture important nonlinear and kinetic effects introduced by the high ionic concentration of the brine, including the pronounced effect of the depressed water activity coefficient on evaporation. The salt crystallization and dissolution rate is modeled as a kinetic process linearly proportional to the degree of supersaturation of brine. The model generates predictions of the brine temperature and the solute and solvent masses controlled by diurnal net radiation input and aerodynamic forcing. Two distinct mechanisms emerge as potential controls on salt production and dissolution: (1) evapo-concentration and (2) changes in solubility related to changes in brine temperature. Although the evaporation of water is responsible for ultimate disappearance of the brine each season ,variation in solubility is found to be the dominant control on diurnal cycles of salt precipitation and dissolution in the BSF case. Most salt is crystallized during nighttime, but the long-term salt production is driven by the seasonal evapo-concentration. Moreover, we find that the timing of the brine temperature fluctuations and salt production lags the diurnal net radiation input. The key controls on the magnitudes of these effects and phase lags are determined by analytical periodic analysis of linearized forms of the model.

A Crystal Ball for Student Achievement

ERIC Educational Resources Information Center

Pascopella, Angela

2012-01-01

Predicting the future is now in the hands of K12 administrators. While for years districts have collected thousands of pieces of student data, educators have been using them only for data-driven decision-making or formative assessments, which give a "rear-view" perspective only. Now, using predictive analysis--the pulling together of data over…

A model of spin crossover in manganese(III) compounds: effects of intra- and intercenter interactions.

PubMed

Klokishner, Sophia I; Roman, Marianna A; Reu, Oleg S

2011-11-21

A microscopic approach to the problem of cooperative spin crossover in the [MnL2]NO3 crystal, which contains Mn(III) ions as structural units, is elaborated on, and the main mechanisms governing this effect are revealed. The proposed model also takes into account the splitting of the low-spin 3T1 (t(2)(4)) and high-spin 5E (t(2)(3)e) terms by the low-symmetry crystal field. The low-spin → high-spin transition has been considered as a cooperative phenomenon driven by interaction of the electronic shells of the Mn(III) ions with the all-around full-symmetric deformation that is extended over the crystal lattice via the acoustic phonon field. The model well explains the observed thermal dependencies of the magnetic susceptibility and the effective magnetic moment.

Radiation-driven rotational motion of nanoparticles

DOE PAGES

Liang, Mengning; Harder, Ross; Robinson, Ian

2018-04-25

Focused synchrotron beams can influence a studied sample via heating, or radiation pressure effects due to intensity gradients. The high angular sensitivity of rotational X-ray tracking (RXT) of crystalline particles via their Bragg reflections can detect extremely small forces such as those caused by field gradients. By tracking the rotational motion of single crystal nanoparticles embedded in a viscous or viscoelastic medium, we observed the effects of heating in a uniform gradient beam and radiation pressure in a Gaussian profile beam. Heating of a few degrees Celsius was measured for 42μm crystals in glycerol and angular velocities of 10 -6rad/smore » due to torques of 10 - 24N∙m were measured for 340nm crystals in a colloidal gel matrix. These results show the ability to quantify small forces using rotation motion of tracer particles.« less

Radiation-driven rotational motion of nanoparticles

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

Liang, Mengning; Harder, Ross; Robinson, Ian

Focused synchrotron beams can influence a studied sample via heating, or radiation pressure effects due to intensity gradients. The high angular sensitivity of rotational X-ray tracking (RXT) of crystalline particles via their Bragg reflections can detect extremely small forces such as those caused by field gradients. By tracking the rotational motion of single crystal nanoparticles embedded in a viscous or viscoelastic medium, we observed the effects of heating in a uniform gradient beam and radiation pressure in a Gaussian profile beam. Heating of a few degrees Celsius was measured for 42μm crystals in glycerol and angular velocities of 10 -6rad/smore » due to torques of 10 - 24N∙m were measured for 340nm crystals in a colloidal gel matrix. These results show the ability to quantify small forces using rotation motion of tracer particles.« less

Ultrafast large-amplitude relocation of electronic charge in ionic crystals

PubMed Central

Zamponi, Flavio; Rothhardt, Philip; Stingl, Johannes; Woerner, Michael; Elsaesser, Thomas

2012-01-01

The interplay of vibrational motion and electronic charge relocation in an ionic hydrogen-bonded crystal is mapped by X-ray powder diffraction with a 100 fs time resolution. Photoexcitation of the prototype material KH2PO4 induces coherent low-frequency motions of the PO4 tetrahedra in the electronically excited state of the crystal while the average atomic positions remain unchanged. Time-dependent maps of electron density derived from the diffraction data demonstrate an oscillatory relocation of electronic charge with a spatial amplitude two orders of magnitude larger than the underlying vibrational lattice motions. Coherent longitudinal optical and tranverse optical phonon motions that dephase on a time scale of several picoseconds, drive the charge relocation, similar to a soft (transverse optical) mode driven phase transition between the ferro- and paraelectric phase of KH2PO4. PMID:22431621

Effect of proton irradiation on superconductivity in optimally doped BaFe 2 ( As 1 - x P x ) 2 single crystals

DOE PAGES

Smylie, M. P.; Leroux, M.; Mishra, V.; ...

2016-03-10

In this paper, irradiation with 4 MeV protons was used to systematically introduce defects in single crystals of the iron-arsenide superconductor BaFe 2(As 1-xP x) 2, x = 0.33. The effect of disorder on the low-temperature behavior of the London penetration depth λ(T) and transition temperature T c was investigated. In nearly optimally doped samples with T c ~ 29 K, signatures of a superconducting gap with nodes were observed. Contrary to previous reports on electron-irradiated crystals, we do not see a disorder-driven lifting of accidental nodes, and we observe that proton-induced defects are weaker pair breakers than electron-induced defects.more » Finally, we attribute our findings to anisotropic electron scattering caused by proton irradiation defects.« less

Magneto-elastic coupling across the first-order transition in the distorted kagome lattice antiferromagnet Dy3Ru4Al12

PubMed Central

Henriques, M.S.; Gorbunov, D.I.; Kriegner, D.; Vališka, M.; Andreev, A.V.; Matěj, Z.

2018-01-01

Structural changes through the first-order paramagnetic-antiferromagnetic phase transition of Dy3Ru4Al12 at 7 K have been studied by means of X-ray diffraction and thermal expansion measurements. The compound crystallizes in a hexagonal crystal structure of Gd3Ru4Al12 type (P63/mmc space group), and no structural phase transition has been found in the temperature interval between 2.5 and 300 K. Nevertheless, due to the spin-lattice coupling the crystal volume undergoes a small orthorhombic distortion of the order of 2×10-5 as the compound enters the antiferromagnetic state. We propose that the first-order phase transition is not driven by the structural changes but rather by the exchange interactions present in the system. PMID:29445250

Homogenous Nucleation and Crystal Growth in a Model Liquid from Direct Energy Landscape Sampling Simulation

NASA Astrophysics Data System (ADS)

Walter, Nathan; Zhang, Yang

Nucleation and crystal growth are understood to be activated processes involving the crossing of free-energy barriers. Attempts to capture the entire crystallization process over long timescales with molecular dynamic simulations have met major obstacles because of molecular dynamics' temporal constraints. Herein, we circumvent this temporal limitation by using a brutal-force, metadynamics-like, adaptive basin-climbing algorithm and directly sample the free-energy landscape of a model liquid Argon. The algorithm biases the system to evolve from an amorphous liquid like structure towards an FCC crystal through inherent structure, and then traces back the energy barriers. Consequently, the sampled timescale is macroscopically long. We observe that the formation of a crystal involves two processes, each with a unique temperature-dependent energy barrier. One barrier corresponds to the crystal nucleus formation; the other barrier corresponds to the crystal growth. We find the two processes dominate in different temperature regimes. Compared to other computation techniques, our method requires no assumptions about the shape or chemical potential of the critical crystal nucleus. The success of this method is encouraging for studying the crystallization of more complex

The effect factors of potassium dihydrogen phosphate crystallization in aqueous solution

NASA Astrophysics Data System (ADS)

Zhou, Cun; Sun, Fei; Liu, Xuzhao

2017-01-01

The effects of cooling rate and pH on the potassium dihydrogen phosphate crystallization process were studied by means of batch crystallization process. The experiment shows that with the increase of cooling rate, the metastable zone width increase and the induction period decrease. When the pH is 3.0, the metastable zone width and induction period are both the minimum, while the crystallization rate is the highest. The crystallization products were characterized by scanning election microscope. Potassium Dihydrogen Phosphate (KDP) is a kind of excellent nonlinear optical materials, and belongs to tetragonal system, and ideal shape is aggregate of tetragonal prism and tetragonal dipyramid, the (100) cone is alternating accumulation by double positive ions and double negative ions [1-4]. The crystals of aqueous solution method to grow have large electro-optical nonlinear coefficient and high loser-damaged threshold, and it is the only nonlinear optical crystal could be used in inertial confinement fusion (ICF), KDP crystals are the ideal system to study the native defects of complex oxide insulating material [5-7]. With the development of photovoltaic technology, KDP crystals growth and performance have become a research focus worldwide [8, 9]. The merits of the crystallization process directly affect the quality of KDP products, so the study of the effect of crystallization conditions has an important significance on industrial production. This paper studied the change rule of metastable zone width, induction period, crystallization rate and particle size distribution in crystal process, and discussed the technical condition of KDP crystallization.

Melting processes of oligomeric α and β isotactic polypropylene crystals at ultrafast heating rates

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

Ji, Xiaojing; He, Xuehao, E-mail: xhhe@tju.edu.cn, E-mail: scjiang@tju.edu.cn; Jiang, Shichun, E-mail: xhhe@tju.edu.cn, E-mail: scjiang@tju.edu.cn

The melting behaviors of α (stable) and β (metastable) isotactic polypropylene (iPP) crystals at ultrafast heating rates are simulated with atomistic molecular dynamics method. Quantitative information about the melting processes of α- and β-iPP crystals at atomistic level is achieved. The result shows that the melting process starts from the interfaces of lamellar crystal through random dislocation of iPP chains along the perpendicular direction of lamellar crystal structure. In the melting process, the lamellar crystal gradually expands but the corresponding thickness decreases. The analysis shows that the system expansion lags behind the crystallinity decreasing and the lagging extents for α-more » and β-iPP are significantly different. The apparent melting points of α- and β-iPP crystals rise with the increase of the heating rate and lamellar crystal thickness. The apparent melting point of α-iPP crystal is always higher than that of β-iPP at differently heating rates. Applying the Gibbs-Thomson rule and the scaling property of the melting kinetics, the equilibrium melting points of perfect α- and β-iPP crystals are finally predicted and it shows a good agreement with experimental result.« less

Towards Protein Crystallization as a Process Step in Downstream Processing of Therapeutic Antibodies: Screening and Optimization at Microbatch Scale

PubMed Central

Zang, Yuguo; Kammerer, Bernd; Eisenkolb, Maike; Lohr, Katrin; Kiefer, Hans

2011-01-01

Crystallization conditions of an intact monoclonal IgG4 (immunoglobulin G, subclass 4) antibody were established in vapor diffusion mode by sparse matrix screening and subsequent optimization. The procedure was transferred to microbatch conditions and a phase diagram was built showing surprisingly low solubility of the antibody at equilibrium. With up-scaling to process scale in mind, purification efficiency of the crystallization step was investigated. Added model protein contaminants were excluded from the crystals to more than 95%. No measurable loss of Fc-binding activity was observed in the crystallized and redissolved antibody. Conditions could be adapted to crystallize the antibody directly from concentrated and diafiltrated cell culture supernatant, showing purification efficiency similar to that of Protein A chromatography. We conclude that crystallization has the potential to be included in downstream processing as a low-cost purification or formulation step. PMID:21966480

Understanding and Exploration of the Biomineralization Mechanisms for the Controllable Synthesis of Nanomaterials

NASA Astrophysics Data System (ADS)

Xiao, Junwu

This thesis is mainly concerned with understanding the biomineralization mechanisms, and further extrapolating them for the controllable synthesis of transition metal compound nanomaterials on graphene sheets for energy storage applications in electrochemical capacitors and lithium ion batteries (LIB). Firstly, we have studied the mimetic biomineralization process of CaCO 3 on a stearic acid or 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC) Langmuir monolayer at the air-water interface by in-situ Brewster angle microscopy (BAM) and ex-situ electron microscopy. Amorphous calcium carbonate (ACC) precursors are directly nucleated from solvated ions prior to the crystal nuclei on a Langmuir monolayer. On a DPPC monolayer, numerous fresh ACC nanoparticles heterogeneously and continuously nucleated at the air-water interface are transformed into the metastable vaterite nanocrystals. Driven by the trend to decrease surface energy, the vaterite nanocrystals self-aggregate and grow into the loose-packed hollow ellipsoidal vaterite polycrystals. These nanocrystals in vaterite polycrystals are then gradually orientated in the same direction to evolve into tight-packed ellipsoidal mesocrystals. As the crystallization time is further increased, the metastable vaterite mesocrystals are eventually transformed into the most thermodynamically stable calcite crystals. Secondly, organic and inorganic additives control over the shapes, sizes and phases of inorganic nanocrystals and arrange them into ordered structures from amorphous precursors in the organisms. This interesting phenomenon has galvanized many attempts to mimic the biomineralization process for synthesizing novel materials. We have studied the crystallization processes from small citrate molecules stabilized ACC precursors under cetyltrimethyl ammonium bromide (CTAB) micellar structures. Amorphous precursors, with a hydrated and disordered structure, are easily transformed and molded into CaCO 3 crystals with novel morphologies, such as, hollow radiating cluster-like particles, hollow sheaf-like crystals, and hollow rods, which are depended on CTAB micellar structures. Besides organic additives, inorganic dopants, such as, Mg2+ ion, are found to be another key factor to influence the polymorph and morphology. We combine two types of additives (Mg 2+ ion and a denatured collagen protein (gelatin)) to direct the mineralization of CaCO3. The polymorphs and morphologies critically depend on gelatin concentration at a given Mg2+ concentration. While, at a given gelatin concentration, the Mg molar percentages in the mother solution, although not a determining factor for the polymorphs, can affect the crystal micro- and nano-structures. The controlled crystallization can be rationalized by the interplay between Mg2+ and gelatin, which mutually enhances their uptake and regulate the concomitant mineralization. The biomineralization process can be divided into the nucleation of amorphous precursors and the subsequent amorphous to crystalline transformation. Thirdly, on the basis of understanding the biomineralization mechanisms discussed above, we extrapolate it to synthesize transition metal compound nanomaterials on graphene sheets for energy storage application. We have applied a bio-inspired approach to prepare CoxNi1-xO (0≤x<1) nanorods on graphene sheets, breaking out the Co/Ni molar ratio limitation for the known stable mixed oxide spinel NiCo2O4. This success has allowed us to further screen the compositions for electrochemical capacitor. CoxNi1-xO/graphene composite electrodes achieve a peak specific capacitance as the Co/Ni molar ratio is closed to 1. This bio-inspired approach also is applied for anchoring Ni(OH)2 nanocrystals on graphene sheets. The size and morphology of the Ni(OH)2 nanocrystals can be controlled via altering the treated temperature during the Ostwald ripening process. The specific capacitance decreased with increasing Ni(OH) 2 nanocrystal size, whereas the cycling stability performance increased with increasing the stability of Ni(OH)2 in the nanocomposites. (Abstract shortened by UMI.)

Experiments on the Effects of Confining Pressure During Reaction-Driven Cracking

NASA Astrophysics Data System (ADS)

Skarbek, R. M.; Savage, H. M.; Kelemen, P. B.; Lambart, S.; Robinson, B.

2016-12-01

Cracking caused by reaction-driven volume increase is an important process in many geological settings. In particular, the interaction of brittle rocks with reactive fluids can create fractures that modify the permeability and reactive surface area, leading to a large variety of feedbacks. The conditions controlling reaction-driven cracking are poorly understood, especially at geologically relevant confining pressures. We conducted two sets of experiments to study the effects of confining pressure on cracking during the formation of gypsum from anhydrite CaSO4 + 2H2O = CaSO4•2H2O, and portlandite from calcium oxide CaO + H2O = Ca(OH)2. In the first set of experiments, we cold-pressed CaSO4, or CaO powder to form cylinders. Samples were confined in steel, and compressed with an axial load of 0.1 to 4 MPa. Water was allowed to infiltrate the initially unsaturated samples through the bottom face via capillary and Darcian flow across a micro-porous frit. The height of the sample was recorded during the experiment, and serves as a measure of volume change due to the hydration reaction. We also recorded acoustic emissions (AEs) using piezoelectric transducers (PZTs), to serve as a measure of cracking during an experiment. Experiments were stopped when the recorded volume change reached 80% - 100% of the stoichiometrically calculated volume change of the reaction. In a second set of experiments, we pressed CaSO4 powder to form cylinders 8.9 cm in length and 3.5 cm in diameter for testing in a tri-axial press with ports for fluid input and output, across the top and bottom faces of the sample. The tri-axial experiments were set up to investigate the reaction-driven cracking process for a range of confining pressures. Cracking during experiments was monitored using strain gauges and PZTs attached to the sample. We measured permeability during experiments by imposing a fluid pressure gradient across the sample. These experiments elucidate the role of cracking caused by crystallization pressure in many important hydration reactions.

Current progress and technical challenges of flexible liquid crystal displays

NASA Astrophysics Data System (ADS)

Fujikake, Hideo; Sato, Hiroto

2009-02-01

We focused on several technical approaches to flexible liquid crystal (LC) display in this report. We have been developing flexible displays using plastic film substrates based on polymer-dispersed LC technology with molecular alignment control. In our representative devices, molecular-aligned polymer walls keep plastic-substrate gap constant without LC alignment disorder, and aligned polymer networks create monostable switching of fast-response ferroelectric LC (FLC) for grayscale capability. In the fabrication process, a high-viscosity FLC/monomer solution was printed, sandwiched and pressed between plastic substrates. Then the polymer walls and networks were sequentially formed based on photo-polymerization-induced phase separation in the nematic phase by two exposure processes of patterned and uniform ultraviolet light. The two flexible backlight films of direct illumination and light-guide methods using small three-primary-color light-emitting diodes were fabricated to obtain high-visibility display images. The fabricated flexible FLC panels were driven by external transistor arrays, internal organic thin film transistor (TFT) arrays, and poly-Si TFT arrays. We achieved full-color moving-image displays using the flexible FLC panel and the flexible backlight film based on field-sequential-color driving technique. Otherwise, for backlight-free flexible LC displays, flexible reflective devices of twisted guest-host nematic LC and cholesteric LC were discussed with molecular-aligned polymer walls. Singlesubstrate device structure and fabrication method using self-standing polymer-stabilized nematic LC film and polymer ceiling layer were also proposed for obtaining LC devices with excellent flexibility.

Multigigahertz range-Doppler correlative processing in crystals

NASA Astrophysics Data System (ADS)

Harris, Todd L.; Babbitt, Wm. R.; Merkel, Kristian D.; Mohan, R. Krishna; Cole, Zachary; Olson, Andy

2004-06-01

Spectral-spatial holographic crystals have the unique ability to resolve fine spectral features (down to kilohertz) in an optical waveform over a broad bandwidth (over 10 gigahertz). This ability allows these crystals to record the spectral interference between spread spectrum waveforms that are temporally separated by up to several microseconds. Such crystals can be used for performing radar range-Doppler processing with fine temporal resolution. An added feature of these crystals is the long upper state lifetime of the absorbing rare earth ions, which allows the coherent integration of multiple recorded spectra, yielding integration gain and significant processing gain enhancement for selected code sets, as well as high resolution Doppler processing. Parallel processing of over 10,000 beams could be achieved with a crystal the size of a sugar cube. Spectral-spatial holographic processing and coherent integration of up to 2.5 Gigabit per second coded waveforms and of lengths up to 2047 bits has previously been reported. In this paper, we present the first demonstration of Doppler processing with these crystals. Doppler resolution down to a few hundred Hz for broadband radar signals can be achieved. The processing can be performed directly on signals modulated onto IF carriers (up to several gigahertz) without having to mix the signals down to baseband and without having to employ broadband analog to digital conversion.

Development of Crystallizer for Advanced Aqueous Reprocessing Process

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

Tadahiro Washiya; Atsuhiro Shibata; Toshiaki Kikuchi

2006-07-01

Crystallization is one of the remarkable technologies for future fuel reprocessing process that has safety and economical advantages. Japan Atomic Energy Agency (JAEA) (former Japan Nuclear Cycle Development Institute), Mitsubishi Material Corporation and Saitama University have been developing the crystallization process. In previous study, we carried out experimental studies with uranium, MOX and spent fuel conditions, and flowsheet analysis was considered. In association with these studies, an innovative continuous crystallizer and its system was developed to ensure high process performance. From the design study, an annular type continuous crystallizer was selected as the most promising design, and performance was confirmedmore » by small-scale test and engineering scale demonstration at uranium crystallization conditions. In this paper, the design study and the demonstration test results are described. (authors)« less

Inhibition mechanism of hydroxypropyl methylcellulose acetate succinate on drug crystallization in gastrointestinal fluid and drug permeability from a supersaturated solution.

PubMed

Ueda, Keisuke; Higashi, Kenjirou; Kataoka, Makoto; Yamashita, Shinji; Yamamoto, Keiji; Moribe, Kunikazu

2014-10-01

The effects of drug-crystallization inhibitor in bile acid/lipid micelles solution on drug permeation was evaluated during the drug crystallization process. Hydroxypropyl methylcellulose acetate succinate (HPMC-AS) was used as a drug-crystallization inhibitor, which efficiently suppressed dexamethasone (DEX) crystallization in a gastrointestinal fluid model containing sodium taurocholate (NaTC) and egg-phosphatidylcholine (egg-PC). Changes of molecular state of supersaturated DEX during the DEX crystallization process was monitored in real time using proton nuclear magnetic resonance (1H NMR). It revealed that DEX distribution to bulk water and micellar phases formed by NaTC and egg-PC was not changed during the DEX crystallization process even in the presence of HPMC-AS. DEX permeation during DEX crystallization was evaluated using dissolution/permeability system. The combination of crystallization inhibition by HPMC-AS and micellar encapsulation by NaTC and egg-PC led to considerably higher DEX concentrations and improvement of DEX permeation at the beginning of the DEX crystallization process. Crystallization inhibition by HPMC-AS can efficiently work even in the micellar solution, where NaTC/egg-PC micelles encapsulates some DEX. It was concluded that a crystallization inhibitor contributed to improvement of permeation of a poorly water-soluble drug in gastrointestinal fluid. Copyright © 2014 Elsevier B.V. All rights reserved.

Crystallization modifiers in lipid systems.

PubMed

Ribeiro, Ana Paula Badan; Masuchi, Monise Helen; Miyasaki, Eriksen Koji; Domingues, Maria Aliciane Fontenele; Stroppa, Valter Luís Zuliani; de Oliveira, Glazieli Marangoni; Kieckbusch, Theo Guenter

2015-07-01

Crystallization of fats is a determinant physical event affecting the structure and properties of fat-based products. The stability of these processed foods is regulated by changes in the physical state of fats and alterations in their crystallization behavior. Problems like polymorphic transitions, oil migration, fat bloom development, slow crystallization and formation of crystalline aggregates stand out. The change of the crystallization behavior of lipid systems has been a strategic issue for the processing of foods, aiming at taylor made products, reducing costs, improving quality, and increasing the applicability and stability of different industrial fats. In this connection, advances in understanding the complex mechanisms that govern fat crystallization led to the development of strategies in order to modulate the conventional processes of fat structuration, based on the use of crystallization modifiers. Different components have been evaluated, such as specific triacyglycerols, partial glycerides (monoacylglycerols and diacylglycerols), free fatty acids, phospholipids and emulsifiers. The knowledge and expertise on the influence of these specific additives or minor lipids on the crystallization behavior of fat systems represents a focus of current interest for the industrial processing of oils and fats. This article presents a comprehensive review on the use of crystallization modifiers in lipid systems, especially for palm oil, cocoa butter and general purpose fats, highlighting: i) the removal, addition or fractionation of minor lipids in fat bases; ii) the use of nucleating agents to modify the crystallization process; iii) control of crystallization in lipid bases by using emulsifiers. The addition of these components into lipid systems is discussed in relation to the phenomena of nucleation, crystal growth, morphology, thermal behavior and polymorphism, with the intention of providing the reader with a complete panorama of the associated mechanisms with crystallization of fats and oils.

Effects of Gravity on Processing Heavy Metal Fluoride Fibers

NASA Technical Reports Server (NTRS)

Tucker, Dennis S.; Workman, Gary L.; Smith, Guy A.

1997-01-01

The effects of gravity on the crystal nucleation of heavy metal fluoride fibers have been studied in preliminary experiments utilizing NASA's KC-135 reduced gravity aircraft and a microgravity sounding rocket flight. Commercially produced fibers were heated to the crystallization temperature in normal and reduced gravity. The fibers processed in normal gravity showed complete crystallization while the fibers processed in reduced gravity did not show signs of crystallization.

Figuring process of potassium dihydrogen phosphate crystal using ion beam figuring technology.

PubMed

Li, Furen; Xie, Xuhui; Tie, Guipeng; Hu, Hao; Zhou, Lin

2017-09-01

Currently, ion beam figuring (IBF) technology has presented many excellent performances in figuring potassium dihydrogen phosphate (KDP) crystals, such as it is a noncontact figuring process and it does not require polishing fluid. So, it is a very clean figuring process and does not introduce any impurities. However, the ion beam energy deposited on KDP crystal will heat the KDP crystal and may generate cracks on it. So, it is difficult directly using IBF technology to figure KDP crystal, as oblique incident IBF (OI-IBF) has lower heat deposition, higher removal rate, and smoother surface roughness compared to normal incident IBF. This paper studied the process of using OI-IBF to figure KDP crystal. Removal rates and removal functions at different incident angles were first investigated. Then heat depositions on a test work piece were obtained through experiments. To validate the figuring process, a KDP crystal with a size of 200  mm×200  mm×12  mm was figured by OI-IBF. After three iterations using the OI-IBF process, the surface error decreases from the initial values with PV 1.986λ RMS 0.438λ to PV 0.215λ RMS 0.035λ. Experimental results indicate that OI-IBF is feasible and effective to figure KDP crystals.

Shuttle Mission STS-50: Orbital Processing of High-Quality CdTe Compound Semiconductors Experiment: Final Flight Sample Characterization Report

NASA Technical Reports Server (NTRS)

Larson, David J.; Casagrande, Luis G.; DiMarzio, Don; Alexander, J. Iwan D.; Carlson, Fred; Lee, Taipo; Dudley, Michael; Raghathamachar, Balaji

1998-01-01

The Orbital Processing of High-Quality Doped and Alloyed CdTe Compound Semiconductors program was initiated to investigate, quantitatively, the influences of gravitationally dependent phenomena on the growth and quality of bulk compound semiconductors. The objective was to improve crystal quality (both structural and compositional) and to better understand and control the variables within the crystal growth production process. The empirical effort entailed the development of a terrestrial (one-g) experiment baseline for quantitative comparison with microgravity (mu-g) results. This effort was supported by the development of high-fidelity process models of heat transfer, fluid flow and solute redistribution, and thermo-mechanical stress occurring in the furnace, safety cartridge, ampoule, and crystal throughout the melting, seeding, crystal growth, and post-solidification processing. In addition, the sensitivity of the orbital experiments was analyzed with respect to the residual microgravity (mu-g) environment, both steady state and g-jitter. CdZnTe crystals were grown in one-g and in mu-g. Crystals processed terrestrially were grown at the NASA Ground Control Experiments Laboratory (GCEL) and at Grumman Aerospace Corporation (now Northrop Grumman Corporation). Two mu-g crystals were grown in the Crystal Growth Furnace (CGF) during the First United States Microgravity Laboratory Mission (USML-1), STS-50, June 24 - July 9, 1992.

High-throughput formation and control of monodisperse liquid crystals droplets driven by an alternating current electric field in a microfluidic device

NASA Astrophysics Data System (ADS)

Belloul, M.; Bartolo, J.-F.; Ziraoui, B.; Coldren, F.; Taly, V.; El Abed, A. I.

2013-07-01

We investigate the effect of an applied ac high voltage on a confined stable nematic liquid crystal (LC) in a microfluidic device and show that this actuation leads to the formation of highly monodisperse microdroplets with an unexpected constant mean size over a large interval of the forcing frequency F and with a droplets production frequency f ≃2F. We show also that despite the nonlinear feature of the droplets formation mechanism, droplets size, and size distribution are governed simply by the LC flow rate Qd and the forcing frequency F.

Fate of a discrete time crystal in an open system

NASA Astrophysics Data System (ADS)

Lazarides, Achilleas; Moessner, Roderich

2017-05-01

Following the recent realization that periodically driven quantum matter can support new types of spatiotemporal order, now known as discrete time crystals (DTCs), we consider the stability of this phenomenon. Motivated by its conceptual importance as well as its experimental relevance, we consider the effect of coupling to an external environment. We use this to argue, both analytically and numerically, that the DTC in disordered one-dimensional systems is destroyed at long times by any such natural coupling. This holds true even in the case where the coupling is such that the system is prevented from heating up by an external thermal bath.

Electrothermally Driven Fluorescence Switching by Liquid Crystal Elastomers Based On Dimensional Photonic Crystals.

PubMed

Lin, Changxu; Jiang, Yin; Tao, Cheng-An; Yin, Xianpeng; Lan, Yue; Wang, Chen; Wang, Shiqiang; Liu, Xiangyang; Li, Guangtao

2017-04-05

In this article, the fabrication of an active organic-inorganic one-dimensional photonic crystal structure to offer electrothermal fluorescence switching is described. The film is obtained by spin-coating of liquid crystal elastomers (LCEs) and TiO 2 nanoparticles alternatively. By utilizing the property of LCEs that can change their size and shape reversibly under external thermal stimulations, the λ max of the photonic band gap of these films is tuned by voltage through electrothermal conversion. The shifted photonic band gap further changes the matching degree between the photonic band gap of the film and the emission spectrum of organic dye mounting on the film. With rhodamine B as an example, the enhancement factor of its fluorescence emission is controlled by varying the matching degree. Thus, the fluorescence intensity is actively switched by voltage applied on the system, in a fast, adjustable, and reversible manner. The control chain of using the electrothermal stimulus to adjust fluorescence intensity via controlling the photonic band gap is proved by a scanning electron microscope (SEM) and UV-vis reflectance. This mechanism also corresponded to the results from the finite-difference time-domain (FDTD) simulation. The comprehensive usage of photonic crystals and liquid crystal elastomers opened a new possibility for active optical devices.

Fundamental Studies of Crystal Growth of Microporous Materials

NASA Technical Reports Server (NTRS)

Dutta, P.; George, M.; Ramachandran, N.; Schoeman, B.; Curreri, Peter A. (Technical Monitor)

2002-01-01

Microporous materials are framework structures with well-defined porosity, often of molecular dimensions. Zeolites contain aluminum and silicon atoms in their framework and are the most extensively studied amongst all microporous materials. Framework structures with P, Ga, Fe, Co, Zn, B, Ti and a host of other elements have also been made. Typical synthesis of microporous materials involve mixing the framework elements (or compounds, thereof) in a basic solution, followed by aging in some cases and then heating at elevated temperatures. This process is termed hydrothermal synthesis, and involves complex chemical and physical changes. Because of a limited understanding of this process, most synthesis advancements happen by a trial and error approach. There is considerable interest in understanding the synthesis process at a molecular level with the expectation that eventually new framework structures will be built by design. The basic issues in the microporous materials crystallization process include: (1) Nature of the molecular units responsible for the crystal nuclei formation; (2) Nature of the nuclei and nucleation process; (3) Growth process of the nuclei into crystal; (4) Morphological control and size of the resulting crystal; (5) Surface structure of the resulting crystals; (6) Transformation of frameworks into other frameworks or condensed structures. The NASA-funded research described in this report focuses to varying degrees on all of the above issues and has been described in several publications. Following is the presentation of the highlights of our current research program. The report is divided into five sections: (1) Fundamental aspects of the crystal growth process; (2) Morphological and Surface properties of crystals; (3) Crystal dissolution and transformations; (4) Modeling of Crystal Growth; (5) Relevant Microgravity Experiments.

The Nucleation and Growth of Protein Crystals

NASA Technical Reports Server (NTRS)

Pusey, Marc

2004-01-01

Obtaining crystals of suitable size and high quality continues to be a major bottleneck in macromolecular crystallography. Currently, structural genomics efforts are achieving on average about a 10% success rate in going from purified protein to a deposited crystal structure. Growth of crystals in microgravity was proposed as a means of overcoming size and quality problems, which subsequently led to a major NASA effort in microgravity crystal growth, with the agency also funding research into understanding the process. Studies of the macromolecule crystal nucleation and growth process were carried out in a number of labs in an effort to understand what affected the resultant crystal quality on Earth, and how microgravity improved the process. Based upon experimental evidence, as well as simple starting assumptions, we have proposed that crystal nucleation occurs by a series of discrete self assembly steps, which 'set' the underlying crystal symmetry. This talk will review the model developed, and its origins, in our laboratory for how crystals nucleate and grow, and will then present, along with preliminary data, how we propose to use this model to improve the success rate for obtaining crystals from a given protein.

Effects of doping impurity and growth orientation on dislocation generation in GaAs crystals grown from the melt: A qualitative finite-element study

NASA Astrophysics Data System (ADS)

Zhu, X. A.; Tsai, C. T.

2000-09-01

Dislocations in gallium arsenide (GaAs) crystals are generated by excessive thermal stresses induced during the crystal growth process. The presence of dislocations has adverse effects on the performance and reliability of the GaAs-based devices. It is well known that dislocation density can be significantly reduced by doping impurity atoms into a GaAs crystal during its growth process. A viscoplastic constitutive equation that couples the microscopic dislocation density with the macroscopic plastic deformation is employed in a crystallographic finite element model for calculating the dislocation density generated in the GaAs crystal during its growth process. The dislocation density is considered as an internal state variable and the drag stress caused by doping impurity is included in this constitutive equation. A GaAs crystal grown by the vertical Bridgman process is adopted as an example to study the influences of doping impurity and growth orientation on dislocation generation. The calculated results show that doping impurity can significantly reduce the dislocation density generated in the crystal. The level of reduction is also influenced by the growth orientation during the crystal growth process.

Co-crystallization phase transformations in all π-conjugated block copolymers with different main-chain moieties.

PubMed

Lee, Yi-Huan; Chen, Wei-Chih; Yang, Yi-Lung; Chiang, Chi-Ju; Yokozawa, Tsutomu; Dai, Chi-An

2014-05-21

Driven by molecular affinity and balance in the crystallization kinetics, the ability to co-crystallize dissimilar yet self-crystallizable blocks of a block copolymer (BCP) into a uniform domain may strongly affect its phase diagram. In this study, we synthesize a new series of crystalline and monodisperse all-π-conjugated poly(2,5-dihexyloxy-p-phenylene)-b-poly(3-(2-ethylhexyl)thiophene) (PPP-P3EHT) BCPs and investigate this multi-crystallization effect. Despite vastly different side-chain and main-chain structures, PPP and P3EHT blocks are able to co-crystallize into a single uniform domain comprising PPP and P3EHT main-chains with mutually interdigitated side-chains spaced in-between. With increasing P3EHT fraction, PPP-P3EHTs undergo sequential phase transitions and form hierarchical superstructures including predominately PPP nanofibrils, co-crystalline nanofibrils, a bilayer co-crystalline/pure P3EHT lamellar structure, a microphase-separated bilayer PPP-P3EHT lamellar structure, and finally P3EHT nanofibrils. In particular, the presence of the new co-crystalline lamellar structure is the manifestation of the interaction balance between self-crystallization and co-crystallization of the dissimilar polymers on the resulting nanostructure of the BCP. The current study demonstrates the co-crystallization nature of all-conjugated BCPs with different main-chain moieties and may provide new guidelines for the organization of π-conjugated BCPs for future optoelectronic applications.

Period doubling in period-one steady states

NASA Astrophysics Data System (ADS)

Wang, Reuben R. W.; Xing, Bo; Carlo, Gabriel G.; Poletti, Dario

2018-02-01

Nonlinear classical dissipative systems present a rich phenomenology in their "route to chaos," including period doubling, i.e., the system evolves with a period which is twice that of the driving. However, typically the attractor of a periodically driven quantum open system evolves with a period which exactly matches that of the driving. Here, we analyze a periodically driven many-body open quantum system whose classical correspondent presents period doubling. We show that by studying the dynamical correlations, it is possible to show the occurrence of period doubling in the quantum (period-one) steady state. We also discuss that such systems are natural candidates for clean and intrinsically robust Floquet time crystals.

29 CFR 570.130 - Employment of certain youth inside and outside of places of business that use power-driven...

Code of Federal Regulations, 2013 CFR

2013-07-01

... business that use power-driven machinery to process wood products. 570.130 Section 570.130 Labor... youth inside and outside of places of business that use power-driven machinery to process wood products... business that use power-driven machinery to process wood products. The provisions of this exemption are...

29 CFR 570.130 - Employment of certain youth inside and outside of places of business that use power-driven...

Code of Federal Regulations, 2012 CFR

2012-07-01

... business that use power-driven machinery to process wood products. 570.130 Section 570.130 Labor... youth inside and outside of places of business that use power-driven machinery to process wood products... business that use power-driven machinery to process wood products. The provisions of this exemption are...

29 CFR 570.130 - Employment of certain youth inside and outside of places of business that use power-driven...

Code of Federal Regulations, 2014 CFR

2014-07-01

... business that use power-driven machinery to process wood products. 570.130 Section 570.130 Labor... youth inside and outside of places of business that use power-driven machinery to process wood products... business that use power-driven machinery to process wood products. The provisions of this exemption are...

29 CFR 570.130 - Employment of certain youth inside and outside of places of business that use power-driven...

Code of Federal Regulations, 2011 CFR

2011-07-01

... business that use power-driven machinery to process wood products. 570.130 Section 570.130 Labor... youth inside and outside of places of business that use power-driven machinery to process wood products... business that use power-driven machinery to process wood products. The provisions of this exemption are...

29 CFR 570.130 - Employment of certain youth inside and outside of places of business that use power-driven...

Code of Federal Regulations, 2010 CFR

2010-07-01

... business that use power-driven machinery to process wood products. 570.130 Section 570.130 Labor... youth inside and outside of places of business that use power-driven machinery to process wood products... business that use power-driven machinery to process wood products. The provisions of this exemption are...

Mechanical and electro-optical properties of unconventional liquid crystal systems

NASA Astrophysics Data System (ADS)

Liao, Guangxun

Four types of unconventional liquid crystal systems - amphotropic glycolipids; novel bent-core liquid crystals, bent-core liquid crystal and glycolipid mixtures, and colloidal crystal-liquid crystal systems - were studied and characterized by polarizing microscopy, electrical current, digital scanning calorimetry, and dielectric spectroscopy. Thermotropic properties of glycolipids show a number of unusual properties, most notably high (60-120) relative dielectric constants mainly proportional to the number of polar sugar heads. The relaxation of this dielectric mode is found to be governed by the hydrogen bonding between sugar heads. Studies on novel bent-core liquid crystals reveal a new optically isotropic ferroelectric phase, molecular chirality-induced polarity, and transitions between molecular chirality and polarity driven phases. Mixtures of several bent-core substances with nematic, polar SmA and SmC phases, and a simple amphiphilic sugar lipid with SmA mesophase found to obey the well known miscibility rules, i.e. the sugar lipid mixes best with the polar SmA bent-core material. In addition, the chiral sugar lipid was found to induce tilt to the non-tilted polar SmA phase, which represents a new direction among the chirality--polarity--tilt relations. The effects of the surface properties and electric fields were studied on various colloid particles--and liquid crystal systems. It is found that the surface properties (hydrophobicity, roughness, rubbing) of the substrates are important in determining the size and symmetry of colloidal crystals. The director field of the liquid crystal infiltrated in the colloid crystals can be rendered both random and uniform along one of the crystallographic axis. We present the first observations of DC electric-field-induced rotational and translational motion of finite particles in liquid crystals. The electrorotation is essentially identical to the well - known Quincke rotation, which in liquid crystals triggers an additional translational motion at higher fields. Analysis of the electro-rotation and translations provides new ways to probe local rheological properties of liquid crystals.

In situ study of the growth and degradation processes in tetragonal lysozyme crystals on a silicon substrate by high-resolution X-ray diffractometry

NASA Astrophysics Data System (ADS)

Kovalchuk, M. V.; Prosekov, P. A.; Marchenkova, M. A.; Blagov, A. E.; D'yakova, Yu. A.; Tereshchenko, E. Yu.; Pisarevskii, Yu. V.; Kondratev, O. A.

2014-09-01

The results of an in situ study of the growth of tetragonal lysozyme crystals by high-resolution X-ray diffractometry are considered. The crystals are grown by the sitting-drop method on crystalline silicon substrates of different types: both on smooth substrates and substrates with artificial surface-relief structures using graphoepitaxy. The crystals are grown in a special hermetically closed crystallization cell, which enables one to obtain images with an optical microscope and perform in situ X-ray diffraction studies in the course of crystal growth. Measurements for lysozyme crystals were carried out in different stages of the crystallization process, including crystal nucleation and growth, developed crystals, the degradation of the crystal structure, and complete destruction.

Integration of a UV curable polymer lens and MUMPs structures on a SOI optical bench

NASA Astrophysics Data System (ADS)

Hsieh, Jerwei; Hsiao, Sheng-Yi; Lai, Chun-Feng; Fang, Weileun

2007-08-01

This work presents the design concept of integrating a polymer lens, poly-Si MUMPs and single-crystal-silicon HARM structures on a SOI wafer to form a silicon optical bench. This approach enables the monolithic integration of various optical components on the wafer so as to improve the design flexibility of the silicon optical bench. Fabrication processes, including surface and bulk micromachining on the SOI wafer, have been established to realize bi-convex spherical polymer lenses with in-plane as well as out-of-plane optical axes. In addition, a micro device consisting of an in-plane polymer lens, a thick fiber holder and a mechanical shutter driven by an electrothermal actuator is also demonstrated using the present approach. In summary, this study significantly improves the design flexibility as well as the functions of SiOBs.

Potassium titanyl arsenate based cascaded optical parametric oscillator emit at 2.5 µm derived by neodymium-doped yttrium lithium fluoride laser

NASA Astrophysics Data System (ADS)

Duan, Yanmin; Zhang, Jing; Guo, Junhong; Zhu, Haiyong; Zhang, Yongchang; Xu, Changwen; Wang, Hongyan; Zhang, Yaoju

2018-04-01

We reported a potassium titanyl arsenate (KTA) based cascaded optical parametric oscillator (OPO). The secondary OPO signal light at 2.5 µm was obtained with two OPO processes in one non-critical phase matching cut KTA crystal. This cascaded OPO was driven by a Q-switched neodymium-doped yttrium lithium fluoride (Nd:YLF) laser at 1047 nm. Making full use of the negative thermal lens effect and long upper level fluorescence lifetime of Nd:YLF, signal power of 605 mW at 2503 nm was achieved with a pulse repetition frequency of 15 kHz and an incident diode pump power of 9.7 W. Therefore, the cascaded OPO derived by Q-switched Nd:YLF laser could provide high peak power pulsed laser emission in mid-infrared band.

Over-time associations among parental self-efficacy, promotive parenting practices, and adolescents' externalizing behaviors.

PubMed

Glatz, Terese; Buchanan, Christy M

2015-06-01

Parental self-efficacy (PSE) is defined as parents' beliefs about their abilities to influence their children in a way that fosters their children's positive development. Research has shown links among PSE, parenting, and children's behavior (Jones & Prinz, 2005), but there are still questions concerning the associations over time. Theory predicts 3 types of processes relevant to these associations: a PSE-driven process, a parent-behavior-driven process, and a child-driven process. In this study, we tested these processes during early to middle adolescence using reports from 401 parents (286 mothers, 115 fathers) from 305 families, and their adolescents (Mage = 11.5 years), at 3 time points. Cross-lagged panel models were used to examine the associations among PSE, promotive parenting practices, and adolescents' externalizing. Results supported a PSE-driven process for mothers within early adolescence. In addition, evidence for parent-behavior-driven and child-driven processes emerged at different times within this developmental period. (c) 2015 APA, all rights reserved).

Growth of high quality bulk size single crystals of inverted solubility lithium sulphate monohydrate

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

Silambarasan, A.; Rajesh, P., E-mail: rajeshp@ssn.edu.in; Ramasamy, P.

2015-06-24

The paper summarizes the processes of growing large lithium sulfate monohydrate (LSMH) single crystals. We have established a procedure to grow high quality bulk size single crystals of inverted solubility LSMH by a newly developed unidirectional crystallization technique called the Sankeranarayenan - Ramasamy (SR) method. The convective flow of crystal growth processes from solution and the conditions of growing crystals of various aspects were discussed. Good quality LSMH single crystal is grown of the size 20 mmX80 mm without cracks, localized-defects and inclusions. The as-grown crystals are suitable for piezoelectric and nonlinear optical applications.

Monitoring industrial pharmaceutical crystallization processes using acoustic emission in pure and impure media.

PubMed

Gherras, Nesrine; Serris, Eric; Fevotte, Gilles

2012-12-15

Acoustic emission (AE) which has been successfully applied for monitoring a rather wide variety of solids elaboration processes was almost never evaluated in the field of industrial pharmaceutical crystallization. Few papers reported that solution crystallization processes give rise to acoustic emission signals that could be related to the development of the basic crystallization phenomena. This study is intended to demonstrate new perspectives opened up by the possible use of acoustic emission (AE) as a non-intrusive and non destructive sensor for monitoring solution crystallization with a particular focus being put on the presence of impurities in real industrial processes. The wealth of acquired AE information is highlighted and it is suggested that such information could allow the design of innovative multipurpose sensing strategies. It is shown notably that AE provides a very early detection of nucleation events, much before the onset of the so-called "nucleation burst". It is also shown that AE brings new insight into the effect of impurities on both the development of the crystallization process and the quality of the crystallized product. Copyright © 2012 Elsevier B.V. All rights reserved.

Detection and recognition of mechanical, digging and vehicle signals in the optical fiber pre-warning system

NASA Astrophysics Data System (ADS)

Tian, Qing; Yang, Dan; Zhang, Yuan; Qu, Hongquan

2018-04-01

This paper presents detection and recognition method to locate and identify harmful intrusions in the optical fiber pre-warning system (OFPS). Inspired by visual attention architecture (VAA), the process flow is divided into two parts, i.e., data-driven process and task-driven process. At first, data-driven process takes all the measurements collected by the system as input signals, which is handled by detection method to locate the harmful intrusion in both spatial domain and time domain. Then, these detected intrusion signals are taken over by task-driven process. Specifically, we get pitch period (PP) and duty cycle (DC) of the intrusion signals to identify the mechanical and manual digging (MD) intrusions respectively. For the passing vehicle (PV) intrusions, their strong low frequency component can be used as good feature. In generally, since the harmful intrusion signals only account for a small part of whole measurements, the data-driven process reduces the amount of input data for subsequent task-driven process considerably. Furthermore, the task-driven process determines the harmful intrusions orderly according to their severity, which makes a priority mechanism for the system as well as targeted processing for different harmful intrusion. At last, real experiments are performed to validate the effectiveness of this method.

Formation of natural gypsum megacrystals in Naica, Mexico

NASA Astrophysics Data System (ADS)

García-Ruiz, Juan Manuel; Villasuso, Roberto; Ayora, Carlos; Canals, Angels; Otálora, Fermín

2007-04-01

Exploration in the Naica mine (Chihuahua, Mexico) recently unveiled several caves containing giant, faceted, and transparent single crystals of gypsum (CaSO4•2H2O) as long as 11 m. These large crystals form at very low supersaturation. The problem is to explain how proper geochemical conditions can be sustained for a long time without large fluctuations that would trigger substantial nucleation. Fluid inclusion analyses show that the crystals grew from low-salinity solutions at a temperature of ˜54 °C, slightly below the one at which the solubility of anhydrite equals that of gypsum. Sulfur and oxygen isotopic compositions of gypsum crystals are compatible with growth from solutions resulting from dissolution of anhydrite previously precipitated during late hydrothermal mineralization, suggesting that these megacrystals formed by a self-feeding mechanism driven by a solution-mediated, anhydrite-gypsum phase transition. Nucleation kinetics calculations based on laboratory data show that this mechanism can account for the formation of these giant crystals, yet only when operating within the very narrow range of temperature identified by our fluid inclusion study. These singular conditions create a mineral wonderland, a site of scientific interest, and an extraordinary phenomenon worthy of preservation.

The Influence of Low Frequency Mechanical Vibrations on the Growth of Single Crystals

NASA Technical Reports Server (NTRS)

Feigelson, R. S.; Elwell, D.

1985-01-01

The optimum conditions for crystal growth are usually achieved either by suppressing convective fluid flows (e.g., by the use of a low-gravity environment) or by over-riding thermal and solutal convection by the use of a strong stirring action. A novel stirring technique has been developed which involves subjecting a vertical crucible to a circle in a horizontal plane (without rotation). Use of an amplitude of 3 mm at a frequency of approx 6 Hz produced complete mixing of a non-uniform aqueous liquid in a few seconds. The mixing action involved the downward flow of liquid in the outer annulus of the liquid, driven by surface waves. When the downward flowing liquid reaches the bottom of the crucible, it is reflected in a central, upward flowing spiral. This flow pattern should be beneficial for crystal growth by the Bridgman method since it will sweep impurities away from the walls and produce a more convex solid-liquid interface. Initial attempts to apply the new stirring technique to CdTe crystal growth did not show significant improvement in the number of crystals nucleated, but the interface shape appeared to be close to that predicted.

Crystals: animal, vegetable or mineral?

PubMed Central

Hyde, Stephen T.

2015-01-01

The morphologies of biological materials, from body shapes to membranes within cells, are typically curvaceous and flexible, in contrast to the angular, facetted shapes of inorganic matter. An alternative dichotomy has it that biomolecules typically assemble into aperiodic structures in vivo, in contrast to inorganic crystals. This paper explores the evolution of our understanding of structures across the spectrum of materials, from living to inanimate, driven by those naive beliefs, with particular focus on the development of crystallography in materials science and biology. The idea that there is a clear distinction between these two classes of matter has waxed and waned in popularity through past centuries. Our current understanding, driven largely by detailed exploration of biomolecular structures at the sub-cellular level initiated by Bernal and Astbury in the 1930s, and more recent explorations of sterile soft matter, makes it clear that this is a false dichotomy. For example, liquid crystals and other soft materials are common to both living and inanimate materials. The older picture of disjoint universes of forms is better understood as a continuum of forms, with significant overlap and common features unifying biological and inorganic matter. In addition to the philosophical relevance of this perspective, there are important ramifications for science. For example, the debates surrounding extra-terrestrial life, the oldest terrestrial fossils and consequent dating of the emergence of life on the Earth rests to some degree on prejudices inferred from the supposed dichotomy between life-forms and the rest. PMID:26464788

Crystals: animal, vegetable or mineral?

PubMed

Hyde, Stephen T

2015-08-06

The morphologies of biological materials, from body shapes to membranes within cells, are typically curvaceous and flexible, in contrast to the angular, facetted shapes of inorganic matter. An alternative dichotomy has it that biomolecules typically assemble into aperiodic structures in vivo, in contrast to inorganic crystals. This paper explores the evolution of our understanding of structures across the spectrum of materials, from living to inanimate, driven by those naive beliefs, with particular focus on the development of crystallography in materials science and biology. The idea that there is a clear distinction between these two classes of matter has waxed and waned in popularity through past centuries. Our current understanding, driven largely by detailed exploration of biomolecular structures at the sub-cellular level initiated by Bernal and Astbury in the 1930s, and more recent explorations of sterile soft matter, makes it clear that this is a false dichotomy. For example, liquid crystals and other soft materials are common to both living and inanimate materials. The older picture of disjoint universes of forms is better understood as a continuum of forms, with significant overlap and common features unifying biological and inorganic matter. In addition to the philosophical relevance of this perspective, there are important ramifications for science. For example, the debates surrounding extra-terrestrial life, the oldest terrestrial fossils and consequent dating of the emergence of life on the Earth rests to some degree on prejudices inferred from the supposed dichotomy between life-forms and the rest.

Isothermal Crystallization Behavior of Cocoa Butter at 17 and 20 °C with and without Limonene.

PubMed

Rigolle, Annelien; Goderis, Bart; Van Den Abeele, Koen; Foubert, Imogen

2016-05-04

Differential scanning calorimetry and real-time X-ray diffraction using synchrotron radiation were used to elucidate isothermal cocoa butter crystallization at 17 and 20 °C in the absence and presence of different limonene concentrations. At 17 °C, a three-step crystallization process was visible for pure cocoa butter, whereby first an unknown structure with long spacings between a 2L and 3L structure was formed that rapidly transformed into the more stable α structure, which in turn was converted into more stable β' crystals. At 20 °C, an α-mediated β' crystallization was observed. The addition of limonene resulted in a reduction of the amount of unstable crystals and an acceleration of polymorphic transitions. At 17 °C, the crystallization process was accelerated due to the acceleration of the formation of more stable polymorphic forms, whereas there were insufficient α crystals for an α-mediated β' nucleation at 20 °C, resulting in a slower crystallization process.

Investigation of selected structural parameters in Fe 95Si 5 amorphous alloy during crystallization process

NASA Astrophysics Data System (ADS)

Fronczyk, Adam

2007-04-01

In this study, we report on a crystallization behavior of the Fe 95Si 5 metallic glasses using a differential scanning cabrimetry (DSC), and X-ray diffraction. The paper presents the results of experimental investigation of Fe 95Si 5 amorphous alloy, subjected to the crystallizing process by the isothermal annealing. The objective of the experiment was to determine changes in the structural parameters during crystallization process of the examined alloy. Crystalline diameter and the lattice constant of the crystallizing phase were used as parameters to evaluate structural changes in material.

Large-scale crystallization of proteins for purification and formulation.

PubMed

Hekmat, Dariusch

2015-07-01

Since about 170 years, salts were used to create supersaturated solutions and crystallize proteins. The dehydrating effect of salts as well as their kosmotropic or chaotropic character was revealed. Even the suitability of organic solvents for crystallization was already recognized. Interestingly, what was performed during the early times is still practiced today. A lot of effort was put into understanding the underlying physico-chemical interaction mechanisms leading to protein crystallization. However, it was understood that already the solvation of proteins is a highly complex process not to mention the intricate interrelation of electrostatic and hydrophobic interactions taking place. Although many basic questions are still unanswered, preparative protein crystallization was attempted as illustrated in the presented case studies. Due to the highly variable nature of crystallization, individual design of the crystallization process is needed in every single case. It was shown that preparative crystallization from impure protein solutions as a capture step is possible after applying adequate pre-treatment procedures like precipitation or extraction. Protein crystallization can replace one or more chromatography steps. It was further shown that crystallization can serve as an attractive alternative means for formulation of therapeutic proteins. Crystalline proteins can offer enhanced purity and enable highly concentrated doses of the active ingredient. Easy scalability of the proposed protein crystallization processes was shown using the maximum local energy dissipation as a suitable scale-up criterion. Molecular modeling and target-oriented protein engineering may allow protein crystallization to become part of a platform purification process in the near future.

Spontaneous formation and dynamics of half-skyrmions in a chiral liquid-crystal film

NASA Astrophysics Data System (ADS)

Nych, Andriy; Fukuda, Jun-Ichi; Ognysta, Uliana; Žumer, Slobodan; Muševič, Igor

2017-12-01

Skyrmions are coreless vortex-like excitations emerging in diverse condensed-matter systems, and real-time observation of their dynamics is still challenging. Here we report the first direct optical observation of the spontaneous formation of half-skyrmions. In a thin film of a chiral liquid crystal, depending on experimental conditions including film thickness, they form a hexagonal lattice whose lattice constant is a few hundred nanometres, or appear as isolated entities with topological defects compensating their charge. These half-skyrmions exhibit intriguing dynamical behaviour driven by thermal fluctuations. Numerical calculations of real-space images successfully corroborate the experimental observations despite the challenge because of the characteristic scale of the structures close to the optical resolution limit. A thin film of a chiral liquid crystal thus offers an intriguing platform that facilitates a direct investigation of the dynamics of topological excitations such as half-skyrmions and their manipulation with optical techniques.

A cellulose liquid crystal motor: a steam engine of the second kind

PubMed Central

Geng, Yong; Almeida, Pedro Lúcio; Fernandes, Susete Nogueira; Cheng, Cheng; Palffy-Muhoray, Peter; Godinho, Maria Helena

2013-01-01

The salient feature of liquid crystal elastomers and networks is strong coupling between orientational order and mechanical strain. Orientational order can be changed by a wide variety of stimuli, including the presence of moisture. Changes in the orientation of constituents give rise to stresses and strains, which result in changes in sample shape. We have utilized this effect to build soft cellulose-based motor driven by humidity. The motor consists of a circular loop of cellulose film, which passes over two wheels. When humid air is present near one of the wheels on one side of the film, with drier air elsewhere, rotation of the wheels results. As the wheels rotate, the humid film dries. The motor runs so long as the difference in humidity is maintained. Our cellulose liquid crystal motor thus extracts mechanical work from a difference in humidity. PMID:23293743

Reconstitution of halorhodopsin

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

Kong, T.

1989-11-01

Halobacterium halobium contains a family of retinal-bound proteins: bacteriorhodopsin (bR) which mediates phototrophic growth as a light-riven proton pump, halorhodopsin (hR) which is a light-driven chloride pump, and one or more sensory rhodopsins (sR) which mediate a phototactic response. Two-dimensional crystallization of halorhodopsin has been attempted though the reconstitution of purified halorhodopsin with purple membrane lipid for electron microscopy work. The first important step for crystallization is to get a homogeneous protein which is pure and not denatured. Homogeneous halorhodopsin has been obtained by a modification of existing purification methods. Some nice looking membrane patches which have the same densitymore » as purple membrane have been obtained. But unfortunately, they are not crystalline. The procedure of hR reconstitution is described in detail and some other strategies to induce the protein crystal in the reconstituted membrane are discussed in this dissertation. 76 refs., 20 figs., 6 tabs.« less

A cellulose liquid crystal motor: a steam engine of the second kind.

PubMed

Geng, Yong; Almeida, Pedro Lúcio; Fernandes, Susete Nogueira; Cheng, Cheng; Palffy-Muhoray, Peter; Godinho, Maria Helena

2013-01-01

The salient feature of liquid crystal elastomers and networks is strong coupling between orientational order and mechanical strain. Orientational order can be changed by a wide variety of stimuli, including the presence of moisture. Changes in the orientation of constituents give rise to stresses and strains, which result in changes in sample shape. We have utilized this effect to build soft cellulose-based motor driven by humidity. The motor consists of a circular loop of cellulose film, which passes over two wheels. When humid air is present near one of the wheels on one side of the film, with drier air elsewhere, rotation of the wheels results. As the wheels rotate, the humid film dries. The motor runs so long as the difference in humidity is maintained. Our cellulose liquid crystal motor thus extracts mechanical work from a difference in humidity.

Crystal and Magnetic Structures in Layered, Transition Metal Dihalides and Trihalides

DOE PAGES

McGuire, Michael A.

2017-04-27

Materials composed of two dimensional layers bonded to one another through weak van der Waals interactions often exhibit strongly anisotropic behaviors and can be cleaved into very thin specimens and sometimes into monolayer crystals. Interest in such materials is driven by the study of low dimensional physics and the design of functional heterostructures. Binary compounds with the compositions MX 2 and MX 3 where M is a metal cation and X is a halogen anion often form such structures. Magnetism can be incorporated by choosing a transition metal with a partially filled d-shell for M, enabling ferroic responses for enhancedmore » functionality. Here we give a brief overview of binary transition metal dihalides and trihalides, summarizing their crystallographic properties and long-range-ordered magnetic structures, focusing on those materials with layered crystal structures and partially filled d-shells required for combining low dimensionality and cleavability with magnetism.« less

Coarsening Dynamics of Inclusions and Thermocapillary Phenomena in Smectic Liquid Crystal Bubbles

NASA Astrophysics Data System (ADS)

Park, Cheol; Maclennan, Joseph; Glaser, Matthew; Clark, Noel; Trittel, Torsten; Eremin, Alexey; Stannarius, Ralf; Tin, Padetha; Hall, Nancy

The Observation and Analysis of Smectic Islands in Space (OASIS) project comprises a series of experiments that probe interfacial and hydrodynamic behavior of thin spherical-bubbles of smectic liquid crystal in microgravity. Smectic films are the thinnest known stable condensed phase structures, making them ideal for studies of two-dimensional (2D) coarsening dynamics and thermocapillary phenomena in microgravity. The OASIS flight hardware was launched on SpaceX-6 in April 2015 and experiments were carried out on the International Space Station using four different smectic A and C liquid crystal materials in separate sample chambers. We will describe the behavior of collective island dynamics on the bubbles, including temperature gradient-induced themomigration, and the diffusion and coalescence-driven coarsening dynamics of island emulsions in microgravity. This work was supported by NASA Grant No. NNX-13AQ81G, and NSF MRSEC Grants No. DMR-0820579 and DMR-1420736.

Fluid-driven fracture and melt transport through lithosphere on earth and terrestrial planets

NASA Astrophysics Data System (ADS)

Fialko, Yuri Alex

Fluid-driven fracture is a fundamental geophysical phenomenon operating in planetary interiors on many scales. A few examples of geological processes involving fluid transport via self-induced fractures include melt segregation in the mantle, magma ascent through the lithosphere, crustal accretion at mid-ocean ridges and volcanic "hot spots", migration of metamorphic and sedimentary fluids in the crust, etc. Overall, fluid-driven (in particular, magma-driven) fracture plays a major role in chemical differentiation of the upper mantle. Because our ability to make direct observations of the dynamics and styles of fluid-driven fracture is quite limited, our understanding of this phenomenon relies on theoretical models that use fundamental physical principles and available field data to constrain the behavior of fluid-driven cracks at depth. This thesis proposes new and more accurate ways of theoretical and experimental description of magma transport in self-induced fractures, or dikes. Dike propagation is a complex process that involves elastic and inelastic deformation of the host rocks, rock fracture, viscous flow of magma, heat transfer, and phase transitions (e.g., rock crystallization and fusion, volatile exolution etc.). We consider relationships between different physical processes associated with magma transport in dikes by solving appropriate boundary value problems of continuum mechanics and heat and mass transfer. The first chapter of this thesis revises existing interpretations of available experimental data bearing on the role of fracture resistance in the overall energy balance during dike propagation. It is shown for the first time that the experimental data indicate that the rock tensile fracture energy, which is not a material property at elevated confining pressures, may substantially increase under in-situ stress conditions. The second chapter concentrates on the interaction between magma flow, heat transfer and phase changes associated with dike emplacement, and discusses some important implications of our results for the generation of the Earth's crust at mid-ocean ridges. In particular, we find that the thermal arrest lengths of typical mid-ocean ridge dikes are of the order of the wavelength of crustal thickness variations and transform fault spacing along slow spreading ridges. This suggests that thermal controls on the crustal melt delivery system could be an important factor in modulating these variations. The third chapter deals with fluid-mechanical aspects of lateral dike propagation in volcanic rift zones. We demonstrate the existence of a feedback between viscous pressure losses during magma transport at depth and the along-strike surface topography of a rift zone. Our estimated values of the along-strike slopes resulting from such a feedback are in general agreement with observations in Hawaiian rift zones. The fourth chapter explores mechanisms of emplacement of giant dike swarms that might have played a role in splitting continents and producing mass extinctions. We reconcile field observations of chilled margins, low crustal contamination, and large dike thicknesses with the theoretically inferred turbulent mode of magma flow in such dikes.

A parametric study of segregation effects during vertical Bridgman crystal growth with an axial magnetic field

NASA Astrophysics Data System (ADS)

Ma, N.; Walker, J. S.

2000-01-01

This paper presents a model for the unsteady transport of a dopant during the vertical Bridgman crystal growth process with a planar crystal-melt interface and with an axial magnetic field, and investigates the effects of varying different process variables on the crystal composition. The convective mass transport due to the buoyant convection in the melt produces nonuniformities in the concentration in both the melt and the crystal. The convective mass transport plays an important role for all magnetic field strengths considered. Diffusive mass transport begins to dominate for a magnetic flux density of 4 T and a fast growth rate, producing crystals which have an axial variation of the radially averaged crystal composition approaching that of the diffusion-controlled limit. Dopant distributions for several different combinations of process parameters are presented.

Enhanced photocatalytic performance of CeO2-TiO2 nanocomposite for degradation of crystal violet dye and industrial waste effluent

NASA Astrophysics Data System (ADS)

Zahoor, Mehvish; Arshad, Amara; Khan, Yaqoob; Iqbal, Mazhar; Bajwa, Sadia Zafar; Soomro, Razium Ali; Ahmad, Ishaq; Butt, Faheem K.; Iqbal, M. Zubair; Wu, Aiguo; Khan, Waheed S.

2018-03-01

This study presents the synthesis of CeO2-TiO2 nanocomposite and its potential application for the visible light-driven photocatalytic degradation of model crystal violet dye as well as real industrial waste water. The ceria-titania (CeO2-TiO2) nanocomposite material was synthesised using facile hydrothermal route without the assistance of any template molecule. As-prepared composite was characterised by SEM, TEM, HRTEM, XRD, XPS for surface features, morphological and crystalline characters. The formed nanostructures were determined to possess crystal-like geometrical shape and average size less than 100 nm. The as-synthesised nanocomposite was further investigated for their heterogeneous photocatalytic potential against the oxidative degradation of CV dye taken as model pollutant. The photo-catalytic performance of the as-synthesised material was evaluated both under ultra-violet as well as visible light. Best photocatalytic performance was achieved under visible light with complete degradation (100%) exhibited within 60 min of irradiation time. The kinetics of the photocatalytic process were also considered and the reaction rate constant for CeO2-TiO2 nanocomposite was determined to be 0.0125 and 0.0662 min-1 for ultra-violet and visible region, respectively. In addition, the as-synthesised nanocomposite demonstrated promising results when considered for the photo-catalytic degradation of coloured industrial waste water collected from local textile industry situated in Faisalabad region of Pakistan. Enhanced photo-catalytic performance of CeO2-TiO2 nanocomposite was proposed owing to heterostructure formation leading to reduced electron-hole recombination.

Dehydration-driven evolution of topological complexity in ethylamonium uranyl selenates

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

Gurzhiy, Vladislav V., E-mail: vladgeo17@mail.ru; Krivovichev, Sergey V.; Tananaev, Ivan G.

Single crystals of four novel uranyl selenate and selenite-selenate oxysalts with protonated ethylamine molecules, (C{sub 2}H{sub 8}N){sub 2}[(UO{sub 2})(SeO{sub 4}){sub 2}(H{sub 2}O)](H{sub 2}O) (I), (C{sub 2}H{sub 8}N){sub 3}[(UO{sub 2})(SeO{sub 4}){sub 2}(HSeO{sub 4})] (II), (C{sub 2}H{sub 8}N)[(UO{sub 2})(SeO{sub 4})(HSeO{sub 3})] (III), and (C{sub 2}H{sub 8}N)(H{sub 3}O)[(UO{sub 2})(SeO{sub 4}){sub 2}(H{sub 2}O)] (IV) have been prepared by isothermal evaporation from aqueous solutions. Uranyl-containing 1D and 2D units have been investigated using topological approach and information-based complexity measurements that demonstrate the evolution of structural units and the increase of topological complexity with the decrease of H{sub 2}O content. - Graphical abstract: Single crystals ofmore » four novel uranyl selenate and selenite-selenate oxysalts with protonated ethylamine molecules have been prepared by isothermal evaporation from aqueous solutions. Structural analysis and information-based topological complexity calculations points to the possible sequence of crystalline phases formation, showing both topological and structural branches of evolution. - Highlights: • Single crystals of four novel uranyl oxysalts were prepared by evaporation method. • The graph theory was used for investigation of topologies of structural units. • Dehydration processes drives the evolution of topological complexity of 1D and 2D structural units.« less

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

Focused beam reflectance measurement as a tool for in situ monitoring of the lactose crystallization process.

PubMed

Pandalaneni, K; Amamcharla, J K

2016-07-01

Lactose accounts for about 75 and 85% of the solids in whey and deproteinized whey, respectively. Production of lactose is usually carried out by a process called crystallization. Several factors including rate of cooling, presence of impurities, and mixing speed influence the crystal size characteristics. To optimize the lactose crystallization process parameters to maximize the lactose yield, it is important to monitor the crystallization process. However, efficient in situ tools to implement at concentrations relevant to the dairy industry are lacking. The objective of the present work was to use a focused beam reflectance measurement (FBRM) system for in situ monitoring of lactose crystallization at supersaturated concentrations (wt/wt) 50, 55, and 60% at 20 and 30°C. The FBRM data were compared with Brix readings collected using a refractometer during isothermal crystallization. Chord length distributions obtained from FBRM in the ranges of <50 µm (fine crystals) and 50 to 300 µm (coarse crystals) were recorded and evaluated in relation to the extent of crystallization and rate constants deduced from the refractometer measurements. Extent of crystallization and rate constants increased with increasing supersaturation concentration and temperature. The measured fine crystal counts from FBRM increased at higher supersaturated concentration and temperature during isothermal crystallization. On the other hand, coarse counts were observed to increase with decreasing supersaturated concentration and temperature. Square weighted chord length distribution obtained from FBRM showed that as concentration increased, a decrease in chord lengths occurred at 20°C and similar observations were made from microscopic images. The robustness of FBRM in understanding isothermal lactose crystallization at various concentrations and temperatures was successfully assessed in the study. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Solubility and crystallization of xylose isomerase from Streptomyces rubiginosus

NASA Astrophysics Data System (ADS)

Vuolanto, Antti; Uotila, Sinikka; Leisola, Matti; Visuri, Kalevi

2003-10-01

We have studied the crystallization and crystal solubility of xylose isomerase (XI) from Streptomyces rubiginosus. In this paper, we show a rational approach for developing a large-scale crystallization process for XI. Firstly, we measured the crystal solubility in salt solutions with respect to salt concentration, temperature and pH. In ammonium sulfate the solubility of XI decreased logarithmically when increasing the salt concentration. Surprisingly, the XI crystals had a solubility minimum at low concentration of magnesium sulfate. The solubility of XI in 0.17 M magnesium sulfate was less than 0.5 g l -1. The solubility of XI increased logarithmically when increasing the temperature. We also found a solubility minimum around pH 7. This is far from the isoelectric point of XI (pH 3.95). Secondly, based on the solubility study, we developed a large-scale crystallization process for XI. In a simple and economical cooling crystallization of XI from 0.17 M magnesium sulfate solution, the recovery of crystalline active enzyme was over 95%. Moreover, we developed a process for production of uniform crystals and produced homogenous crystals with average crystal sizes between 12 and 360 μm.

Molecular dynamics studies of water deposition on hematite surfaces

NASA Astrophysics Data System (ADS)

Kvamme, Bjørn; Kuznetsova, Tatiana; Haynes, Martin

2012-12-01

The interest in carbon dioxide for enhanced oil recovery is increasing proportional to the decrease in naturally driven oil production and also due to the increasing demand for reduced emission of carbon dioxide to the atmosphere. Transport of carbon dioxide in offshore pipelines involves high pressure and low temperatures which may lead to the formation of hydrate between residual water dissolved in carbon dioxide. The critical question is whether the water at some condition of temperature and pressure will drop out as liquid droplets or as water adsorbed on the surfaces of the pipeline and then subsequently form hydrates heterogeneously. In this work we have used the 6-311G basis set with B3LYP to estimate the charge distribution of different sizes of hematite crystals. The obtained surface charge distribution were kept unchanged while the inner charge distribution where scaled so as to result in an overall neutral crystal. These rust particles were embedded in water and chemical potential for adsorbed water molecules were estimated through thermodynamic integration and compared to similar estimates for same size water cluster. Estimated values of water chemical potentials indicate that it is thermodynamically favorable for water to adsorb on hematite, and that evaluation of potential carbon dioxide hydrate formation conditions and kinetics should be based this sequence of processes.

From synthetic montroseite VOOH to topochemical paramontroseite VO2 and their applications in aqueous lithium ion batteries.

PubMed

Xu, Yang; Zheng, Lei; Xie, Yi

2010-11-28

Synthetic montroseite VOOH has been successfully prepared via a simple template-free hydrothermal route on a large scale for the first time-after sixty years of delay. The as-obtained sample shows a hierarchical morphology of urchin-like nanoarchitecture with hollow interiors consisting of well-crystalline nanorods standing vertically on the shell surface. Time-dependent experiments illustrated that these hierarchical hollow nanourchins were formed through the hydrolysis-driven Kirkendall effect coupled with a new-phased vanadium oxyhydroxide V(10)O(14)(OH)(2) precursor templated approach. Meanwhile, the as-obtained VOOH hollow nanourchins could convert topochemically to paramontroseite VO(2) without altering the size and original appearance during the annealing process due to the extreme structural similarity revealed by crystal structure analysis. Furthermore, the improved electrochemical performance of both montroseite VOOH and paramontroseite VO(2) hierarchical hollow structures toward Li uptake and release verifies their potential applications as anode materials in aqueous lithium ion batteries. These improved electrochemical properties could be ascribed to the synergetic effect of the microscopic tunneled crystal structure and macroscopic hollow morphological features, which provide the easy infiltration of electrolyte, short diffusion lengths for lithium ions and electron transport as well as sufficient void space to buffer the volume change.

Direct Observation of the Thickness-Induced Crystallization and Stress Build-Up during Sputter-Deposition of Nanoscale Silicide Films.

PubMed

Krause, Bärbel; Abadias, Gregory; Michel, Anny; Wochner, Peter; Ibrahimkutty, Shyjumon; Baumbach, Tilo

2016-12-21

The kinetics of phase transitions during formation of small-scale systems are essential for many applications. However, their experimental observation remains challenging, making it difficult to elucidate the underlying fundamental mechanisms. Here, we combine in situ and real-time synchrotron X-ray diffraction (XRD) and X-ray reflectivity (XRR) experiments with substrate curvature measurements during deposition of nanoscale Mo and Mo 1-x Si x films on amorphous Si (a-Si). The simultaneous measurements provide direct evidence of a spontaneous, thickness-dependent amorphous-to-crystalline (a-c) phase transition, associated with tensile stress build-up and surface roughening. This phase transformation is thermodynamically driven, the metastable amorphous layer being initially stabilized by the contributions of surface and interface energies. A quantitative analysis of the XRD data, complemented by simulations of the transformation kinetics, unveils an interface-controlled crystallization process. This a-c phase transition is also dominating the stress evolution. While stress build-up can significantly limit the performance of devices based on nanostructures and thin films, it can also trigger the formation of these structures. The simultaneous in situ access to the stress signal itself, and to its microstructural origins during structure formation, opens new design routes for tailoring nanoscale devices.

NIR-Vis-UV Light-Responsive Actuator Films of Polymer-Dispersed Liquid Crystal/Graphene Oxide Nanocomposites.

PubMed

Cheng, Zhangxiang; Wang, Tianjie; Li, Xiao; Zhang, Yihe; Yu, Haifeng

2015-12-16

To take full advantage of sunlight for photomechanical materials, NIR-vis-UV light-responsive actuator films of polymer-dispersed liquid crystal (PDLC)/graphene oxide (GO) nanocomposites were fabricated. The strategy is based on phase transition of LCs from nematic to isotropic phase induced by combination of photochemical and photothermal processes in the PDLC/GO nanocomposites. Upon mechanical stretching of the film, both topological shape change and mesogenic alignment occurred in the separated LC domains, enabling the film to respond to NIR-vis-UV light. The homodispersed GO flakes act as photoabsorbent and nanoscale heat source to transfer NIR or VIS light into thermal energy, heating the film and photothermally inducing phase transition of LC microdomains. By utilizing photochemical phase transition of LCs upon UV-light irradiation, one azobenzene dye was incorporated into the LC domains, endowing the nanocomposite films with UV-responsive property. Moreover, the light-responsive behaviors can be well-controlled by adjusting the elongation ratio upon mechanical treatment. The NIR-vis-UV light-responsive PDLC/GO nanocomposite films exhibit excellent properties of easy fabrication, low-cost, and good film-forming and mechanical features, promising their numerous applications in the field of soft actuators and optomechanical systems driven directly by sunlight.

The Use of Atomic-Force Microscopy for Studying the Crystallization Process of Amorphous Alloys

NASA Astrophysics Data System (ADS)

Elmanov, G. N.; Ivanitskaya, E. A.; Dzhumaev, P. S.; Skrytniy, V. I.

The crystallization process of amorphous alloys is accompanied by the volume changes as a result of structural phase transitions. This leads to changes in the surface topography, which was studied by atomic force microscopy (AFM). The changes of the surface topography, structure and phase composition during multistage crystallization process of the metallic glasses with composition Ni71,5Cr6,8Fe2,7B11,9Si7,1 and Ni63,4Cr7,4Fe4,3Mn0,8B15,6Si8,5 (AWS BNi2) has been investigated. The obtained results on changing of the surface topography in crystallization process are in good agreement with the data of X-ray diffraction analysis (XRD). The nature of redistribution of some alloy components in the crystallization process has been suggested.

K-shell photoabsorption edge of strongly coupled aluminum driven by laser-converted radiation

NASA Astrophysics Data System (ADS)

Zhao, Yang; Zhang, Zhiyu; Qing, Bo; Yang, Jiamin; Zhang, Jiyan; Wei, Minxi; Yang, Guohong; Song, Tianming; Xiong, Gang; Lv, Min; Hu, Zhimin; Deng, Bo; Hu, Xin; Zhang, Wenhai; Shang, Wanli; Hou, Lifei; Du, Huabing; Zhan, Xiayu; Yu, Ruizhen

2017-03-01

The first observation of the K-shell photoabsorption edge of strongly coupled aluminum generated by intense x-ray radiation-driven shocks is reported. By using a “dog bone” gold hohlraum as an x-ray converter, colliding shocks compression and preheating shielding are achieved to generate an unexplored state with a density of 5.5 g/cm3 and temperature of 0.43 eV (the ion-ion coupling parameter Γii is around 240). The time-resolved K-shell photoabsorption edges are measured with a crystal spectrometer using a short x-ray backlighter. The broadenings and redshifts of the edges are studied by using the slope fitting of the edge and quantum molecular dynamics calculations. This work shows that the K-edge of aluminum driven by laser-converted radiation provides a novel capability to probe WDM at extended conditions.

Prethermal Phases of Matter Protected by Time-Translation Symmetry

NASA Astrophysics Data System (ADS)

Else, Dominic V.; Bauer, Bela; Nayak, Chetan

2017-01-01

In a periodically driven (Floquet) system, there is the possibility for new phases of matter, not present in stationary systems, protected by discrete time-translation symmetry. This includes topological phases protected in part by time-translation symmetry, as well as phases distinguished by the spontaneous breaking of this symmetry, dubbed "Floquet time crystals." We show that such phases of matter can exist in the prethermal regime of periodically driven systems, which exists generically for sufficiently large drive frequency, thereby eliminating the need for integrability or strong quenched disorder, which limited previous constructions. We prove a theorem that states that such a prethermal regime persists until times that are nearly exponentially long in the ratio of certain couplings to the drive frequency. By similar techniques, we can also construct stationary systems that spontaneously break continuous time-translation symmetry. Furthermore, we argue that for driven systems coupled to a cold bath, the prethermal regime could potentially persist to infinite time.

Microstructure and Macrosegregation Study of Directionally Solidified Al-7Si Samples Processed Terrestrially and Aboard the International Space Station

NASA Technical Reports Server (NTRS)

Angart, Samuel; Erdman, R. G.; Poirier, David R.; Tewari, S.N.; Grugel, R. N.

2014-01-01

This talk reports research that has been carried out under the aegis of NASA as part of a collaboration between ESA and NASA for solidification experiments on the International Space Station (ISS). The focus has been on the effect of convection on the microstructural evolution and macrosegregation in hypoeutectic Al-Si alloys during directional solidification (DS). The DS-experiments have been carried out under 1-g at Cleveland State University (CSU) and under low-g on the International Space Station (ISS). The thermal processing-history of the experiments is well defined for both the terrestrially-processed samples and the ISS-processed samples. We have observed that the primary dendrite arm spacings of two samples grown in the low-g environment of the ISS show good agreement with a dendrite-growth model based on diffusion controlled growth. The gravity-driven convection (i.e., thermosolutal convection) in terrestrially grown samples has the effect of decreasing the primary dendrite arm spacings and causes macrosgregation. In order to process DS-samples aboard the ISS, dendritic-seed crystals have to partially remelted in a stationary thermal gradient before the DS is carried out. Microstructural changes and macrosegregation effects during this period are described.

Preparative crystallization of a single chain antibody using an aqueous two-phase system.

PubMed

Huettmann, Hauke; Berkemeyer, Matthias; Buchinger, Wolfgang; Jungbauer, Alois

2014-11-01

A simultaneous crystallization and aqueous two-phase extraction of a single chain antibody was developed, demonstrating process integration. The process conditions were designed to form an aqueous two-phase system, and to favor crystallization, using sodium sulfate and PEG-2000. At sufficiently high concentrations of PEG, a second phase was generated in which the protein crystallization occurred simultaneously. The single chain antibody crystals were partitioned to the top, polyethylene glycol-rich phase. The crystal nucleation took place in the sodium sulfate-rich phase and at the phase boundary, whereas crystal growth was progressing mainly in the polyethylene glycol-rich phase. The crystals in the polyethylene glycol-rich phase grew to a size of >50 µm. Additionally, polyethylene glycol acted as an anti-solvent, thus, it influenced the crystallization yield. A phase diagram with an undersaturation zone, crystallization area, and amorphous precipitation zone was established. Only small differences in polyethylene glycol concentration caused significant shifts of the crystallization yield. An increase of the polyethylene glycol content from 2% (w/v) to 4% (w/v) increased the yield from approximately 63-87%, respectively. Our results show that crystallization in aqueous two-phase systems is an opportunity to foster process integration. © 2014 Wiley Periodicals, Inc.

Surface chemistry of Au/TiO2: Thermally and photolytically activated reactions

NASA Astrophysics Data System (ADS)

Panayotov, Dimitar A.; Morris, John R.

2016-03-01

The fascinating particle size dependence to the physical, photophysical, and chemical properties of gold has motivated thousands of studies focused on exploring the ability of supported gold nanoparticles to catalyze chemical transformations. In particular, titanium dioxide-supported gold (Au/TiO2) nanoparticles may provide the right combination of electronic structure, structural dynamics, and stability to affect catalysis in important practical applications from environmental remediation to selective hydrogenation to carbon monoxide oxidation. Harnessing the full potential of Au/TiO2 will require a detailed atomic-scale understanding of the thermal and photolytic processes that accompany chemical conversion. This review describes some of the unique properties exhibited by particulate gold before delving into how those properties affect chemistry on titania supports. Particular attention is given first to thermally driven reactions on single crystal system. This review then addresses nanoparticulate samples in an effort begin to bridge the so-called materials gap. Building on the foundation provided by the large body of work in the field of thermal catalysis, the review describes new research into light-driven catalysis on Au/TiO2. Importantly, the reader should bear in mind throughout this review that thermal chemistry and thermal effects typically accompany photochemistry. Distinguishing between thermally-driven stages of a reaction and photo-induced steps remains a significant challenge, but one that experimentalists and theorists are beginning to decipher with new approaches. Finally, a summary of several state-of-the-art studies describes how they are illuminating new frontiers in the quest to exploit Au/TiO2 as an efficient catalyst and low-energy photocatalyst.

A Low-Cost System Based on Image Analysis for Monitoring the Crystal Growth Process.

PubMed

Venâncio, Fabrício; Rosário, Francisca F do; Cajaiba, João

2017-05-31

Many techniques are used to monitor one or more of the phenomena involved in the crystallization process. One of the challenges in crystal growth monitoring is finding techniques that allow direct interpretation of the data. The present study used a low-cost system, composed of a commercial webcam and a simple white LED (Light Emitting Diode) illuminator, to follow the calcium carbonate crystal growth process. The experiments were followed with focused beam reflectance measurement (FBRM), a common technique for obtaining information about the formation and growth of crystals. The images obtained in real time were treated with the red, blue, and green (RGB) system. The results showed a qualitative response of the system to crystal formation and growth processes, as there was an observed decrease in the signal as the growth process occurred. Control of the crystal growth was managed by increasing the viscosity of the test solution with the addition of monoethylene glycol (MEG) at 30% and 70% in a mass to mass relationship, providing different profiles of the RGB average curves. The decrease in the average RGB value became slower as the concentration of MEG was increased; this reflected a lag in the growth process that was proven by the FBRM.

Tightly integrated single- and multi-crystal data collection strategy calculation and parallelized data processing in JBluIce beamline control system

PubMed Central

Pothineni, Sudhir Babu; Venugopalan, Nagarajan; Ogata, Craig M.; Hilgart, Mark C.; Stepanov, Sergey; Sanishvili, Ruslan; Becker, Michael; Winter, Graeme; Sauter, Nicholas K.; Smith, Janet L.; Fischetti, Robert F.

2014-01-01

The calculation of single- and multi-crystal data collection strategies and a data processing pipeline have been tightly integrated into the macromolecular crystallographic data acquisition and beamline control software JBluIce. Both tasks employ wrapper scripts around existing crystallographic software. JBluIce executes scripts through a distributed resource management system to make efficient use of all available computing resources through parallel processing. The JBluIce single-crystal data collection strategy feature uses a choice of strategy programs to help users rank sample crystals and collect data. The strategy results can be conveniently exported to a data collection run. The JBluIce multi-crystal strategy feature calculates a collection strategy to optimize coverage of reciprocal space in cases where incomplete data are available from previous samples. The JBluIce data processing runs simultaneously with data collection using a choice of data reduction wrappers for integration and scaling of newly collected data, with an option for merging with pre-existing data. Data are processed separately if collected from multiple sites on a crystal or from multiple crystals, then scaled and merged. Results from all strategy and processing calculations are displayed in relevant tabs of JBluIce. PMID:25484844

Tightly integrated single- and multi-crystal data collection strategy calculation and parallelized data processing in JBluIce beamline control system

DOE PAGES

Pothineni, Sudhir Babu; Venugopalan, Nagarajan; Ogata, Craig M.; ...

2014-11-18

The calculation of single- and multi-crystal data collection strategies and a data processing pipeline have been tightly integrated into the macromolecular crystallographic data acquisition and beamline control software JBluIce. Both tasks employ wrapper scripts around existing crystallographic software. JBluIce executes scripts through a distributed resource management system to make efficient use of all available computing resources through parallel processing. The JBluIce single-crystal data collection strategy feature uses a choice of strategy programs to help users rank sample crystals and collect data. The strategy results can be conveniently exported to a data collection run. The JBluIce multi-crystal strategy feature calculates amore » collection strategy to optimize coverage of reciprocal space in cases where incomplete data are available from previous samples. The JBluIce data processing runs simultaneously with data collection using a choice of data reduction wrappers for integration and scaling of newly collected data, with an option for merging with pre-existing data. Data are processed separately if collected from multiple sites on a crystal or from multiple crystals, then scaled and merged. Results from all strategy and processing calculations are displayed in relevant tabs of JBluIce.« less