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Sample records for bgo crystals validation

  1. Direct detection of antihydrogen atoms using a BGO crystal

    NASA Astrophysics Data System (ADS)

    Nagata, Y.; Kuroda, N.; Ohtsuka, M.; Leali, M.; Lodi-Rizzini, E.; Mascagna, V.; Tajima, M.; Torii, H. A.; Zurlo, N.; Matsuda, Y.; Venturelli, L.; Yamazaki, Y.

    2016-12-01

    The ASACUSA collaboration has developed a detector consisting of a large size BGO crystal to detect an atomic antihydrogen beam, and performed the direct detection of antihydrogen atoms. Energy spectra from antihydrogen annihilation on the BGO crystal are discussed in comparison to simulation results from the GEANT4 toolkit. Background mainly originating from cosmic rays were strongly suppressed by analyzing the energy deposited in the BGO and requiring a multiplicity of charged pions. Thus antihydrogen events were identified.

  2. Measurement of the coincidence response of very thin BGO crystals

    SciTech Connect

    Murthy, K.; Thompson, C.J. . Montreal Neurological Inst.); Weinberg, I.N. Johns Hopkins Univ., Baltimore, MD . Dept. of Radiology); Mako, F.M. )

    1994-08-01

    More then half the 511 keV photons in BGO crystals undergo Compton scattering at least once prior to photo-electric interaction within the detector. In a PET scanner, this can result in mis-positioning of annihilation events. As crystal dimensions are made smaller, the fraction of mispositioned events increases. The authors have studied the coincidence aperture function (CAF) of 25 mm [times] 10 mm BGO crystals with thicknesses varying from 1 mm to 3 mm in steps of 0.5 mm. By sandwiching the active crystal between two other BGO crystals not in contact with the photomultiplier, the authors have studied the effect of Compton scatter upon CAF. By allowing the annihilation photons to be incident along the 25 mm axis and the 10 mm axis, the authors have studied the effect of detector depth upon the CAF, with and without Compton Scatter. The CAF increases linearly with crystal width, ranging from 1.3 mm for the 1 mm wide crystal to 2.15 for 3 mm crystal. The lines joining the FWHM of the CAFs as a function of crystal width appear to converge indicating that no further improvement in resolution can be achieved by reducing crystal width. The CAFs for 10 mm and 25 mm long crystals without Compton scatter is essentially the same. The presence of neighboring crystals results in an increase in the CAF which is greater for long crystals compared with short ones of the same width. Using 1 mm wide and 10 mm long crystals sandwiched between two uncoupled BGO crystals, the authors have achieved spatial resolution of 1.64 mm FWHM for a PMT separation of 34 cm. Recent experiments with PMT separation of 11.5 cm have yielded 1.23 mm FWHM CAF in the same setup.

  3. Mechanical Design of the DAMPE BGO Calorimeter

    NASA Astrophysics Data System (ADS)

    Hu, Yiming; Wu, Jian; Feng, Changqing; Zhang, Yunlong; Chen, Dengyi; Chang, Jin

    The Dark Matter Particle Explorer, DAMPE, is a new designed satellite developed for the CASs new Innovation 2020 program. As the main component of DAMPE, the new designed BGO calorimeter consists of 308 BGO Crystals coupled with photomultiplier tube.The reliability and safety of the BGO Calorimeter structure play a very important role in the operation of whole detector. During the rocket launch, the calorimeter structure should be stable against vibration and environmental factors to ensure detector works in good conditions. In this article, we make the BGO calorimeter structure design, and then prove that it will work in the environments of rocket launch and flight.

  4. Photofraction of a 5 cm x 2 cm BGO scintillator. [bismuth germanate crystal for use in cosmic gamma ray detector

    NASA Technical Reports Server (NTRS)

    Dunphy, P. P.; Forrest, D. J.

    1985-01-01

    The photofraction of a 5.1 cm x 2.0 cm bismuth germanate (BGO) scintillator was measured over a gamma-ray energy range of 0.2 to 6.1 MeV. Several methods, used to minimize the effect of room scattering on the measurement, are discussed. These include a gamma-gamma coincidence technique, a beta-gamma coincidence technique, and the use of sources calibrated with a standard 7.6 cm x 7.6 cm sodium iodide scintillator.

  5. Temperature Effects in the ATIC BGO Calorimeter

    NASA Technical Reports Server (NTRS)

    Isbert, J.; Adams, J. H.; Ahn, H.; Bashindzhagyan, G.; Batkov, K.; Chang, J.; Christl, M. J.; Fazely, A.; Ganel, O.; Gunasigha, R.

    2006-01-01

    The Advanced Thin Ionization Calorimeter (ATIC) Balloon Experiment contains a segmented calorimeter composed of 320 individual BGO crystals (18 radiation lengths deep) to determine the particle energy. Like all inorganic scintillation crystals the light output of BGO depends not only on the energy deposited by particles but also on the temperature of the crystal. ATIC had successful flights in 2000/2001 and 2002/2003 from McMurdo, Antarctica. The temperature of balloon instruments varies during their flights at altitude due to sun angle variations and differences in albedo from the ground and is monitored and recorded. In order to determine the temperature sensitivity of the ATIC calorimeter it was temperature cycled in the thermal vacuum chamber at the CSBF in Palestine, TX. The temperature dependence is derived from the pulse height response to cosmic ray muons at various temperatures.

  6. Multilayer passive shielding of scintillation detectors based on BGO, NaI(Tl), and stilbene crystals operating in intense neutron fields with an energy of 14.1 MeV

    NASA Astrophysics Data System (ADS)

    Bystritsky, V. M.; Valkovic, V.; Grozdanov, D. N.; Zontikov, A. O.; Ivanov, I. Zh.; Kopatch, Yu. N.; Krylov, A. R.; Rogov, Yu. N.; Ruskov, I. N.; Sapozhnikov, M. G.; Skoy, V. R.; Shvetsov, V. N.

    2015-03-01

    We discuss the issues related to choosing the optimum type of passive shielding of scintillation detectors based on BGO, NaI(Tl), and stilbene crystals from the direct penetration of neutron radiation with an energy of 14.1 MeV that was emitted isotropically into a solid angle of 4π. A series of experimental measurements of the count-rate suppression factor that may be obtained for the indicated detectors through the use of various shielding filters comprising iron, lead, and borated polyethylene layers with a total thickness not exceeding 50 cm are conducted.

  7. Structure design and enviromental test of BGO calorimeter for satellite DAMPE

    NASA Astrophysics Data System (ADS)

    Hu, Yiming; Feng, Changqing; Zhang, Yunlong; Chen, Dengyi; Chang, Jin

    2016-07-01

    The Dark Matter Particle Explorer, DAMPE, is a new designed satellite developed for the new Innovation 2020 program of Chinese Academy of Sciences. As the most important payload of China's first scientific satellite for detecting dark matter, the primary purposes of BGO calorimeter is to measure the energy of incident high energy electrons and gamma rays (5GeV-10TeV) and to identify hadron and electronics. BGO calorimeter also provides an important background discriminator by measuring the energy deposition due to the particle shower that produced by the e^{±}, γ and imaging their shower development profile. Structure design of BGO calorimeter is described in this paper. The new designed BGO calorimeter consists of 308 BGO crystals coupled with photomultiplier tubes on its two ends. The envelop size of the BGO calorimeter is 907.5mm×907.5mm×494.5mm,and the weight of which is 1051.4Kg. The most important purpose of mechanical design is how to package so heavy crystals into a detector as required arrangement and to make sure reliability and safety. This paper describes the results of vibration tests using the Flight Module of the BGO Calorimeter for the DAMPE satellite. During the vibration tests, no degradation of the mechanical assembly was observed. After random or sinusoidal vibrations, there was no significant changes of the frequency signatures observed during the modal surveys. The comparison of results of cosmic ray tests before and after the vibration shows no change in the performance of the BGO calorimeter.

  8. Utilization of a BGO detector as an active oxygen target

    NASA Astrophysics Data System (ADS)

    Loveman, R.; Gozani, T.; Bendahan, J.; Krivicich, J.; Elias, E.; Altschuler, E.

    1994-12-01

    The (n, n'γx) cross section for the 6.13 MeV state in oxygen has recently become of general interest because of the possibility of using this process to assay oxygen as a part of non-intrusive inspections. Localized densities of carbon, oxygen, and nitrogen are particularly useful in determining the presence of explosives and/or drugs in containers of all sizes, from suitcases to cargo containers. The presence of oxygen in BGO (Bi 4Ge 3O 12) scintillator makes this detector suitable for use as an active target for the measurement of the energy dependence of the excitation, of the first (6.049 MeV O +) and second (6.130 MeV 3 -) excited states in 16O by fast neutron interactions. An active target functions as both a target and an active device such as a detector. The de-excitations of the 6.049 and 6.130 states take place by nuclear pair production and γ-ray emission respectively. There is a large probability of absorbing all of the de-excitation energy in the scintillator in either of these cases. Since the energies deposited in the scintillator by these transitions are very close, the de-excitations are indistinguishable. However, since the cross section for the excitation of the 6.13 MeV state is believed to be larger than that of the 6.049 MeV, the major measured features of the energy variations are those related to the second state. The validity of the technique was initially tested using (MCNP) calculations. The calculations established that the detected neutron count rate in the crystal was proportional to the cross-sections used as input for the calculations, and that the constant of proportionality did not vary with neutron energy. Subsequently, measurements were made with a BGO detector as an active oxygen target. The results clearly show a strong energy dependence including several resonances.

  9. Testing of the BGO Compton-suppression detectors for gammasphere

    SciTech Connect

    Carpenter, M.P.; Ahmad, I.; Annan, G.A.

    1995-08-01

    Gammasphere, the national {gamma}-ray facility, when completed will consist of 110 Compton-suppressed Ge detectors. The bismuth germanate (BGO) Compton-suppression detector system for each Ge detector consists of one tapered hexagonal BGO side shield and one slotted BGO back plug. Due to the geometry of the array, three types of annular shields are required. These types are referred to as B, C and D, and the array consists of 60, 30 and 20 of these units, respectively. Shield types B, C and D have a hexagonal geometry. They are divided into six optically separate sections, each with its own pair of photomultiplier tubes. Argonne assumed responsibility for the procurement and testing of the BGO Compton-suppression units. We received all detectors from the two vendors. In the past year, twenty-four of the B-type detectors were delivered to Stony Brook for evaluation tests. Since the number of crystals to test is quite large (six per detector), we involved undergraduate students working at ANL under the Department of Educational Programs (DEP) in this effort. The quality of students was excellent, and they played a major role in the performance testing of these detectors. Ninety-nine of the hexagonal side shields and 112 backplug detectors were shipped to LBL for use in Gammasphere. The remaining detectors did not meet the performance criteria when they were first delivered and tested and are either at the vendor being repaired or were returned to us for retesting. We anticipate that the remaining detectors will be ready for use in Gammasphere within the next few months.

  10. Initial characterization of a BGO-photodiode detector for high resolution positron emission tomography

    SciTech Connect

    Derenzo, S.E.

    1983-11-01

    Spatial resolution in positron emission tomography is currently limited by the resolution of the detectors. This work presents the initial characterization of a detector design using small bismuth germanate (BGO) crystals individually coupled to silicon photodiodes (SPDs) for crystal identification, and coupled in groups to phototubes (PMTs) for coincidence timing. A 3 mm x 3 mm x 3 mm BGO crystal coupled only to an SPD can achieve a 511 keV photopeak resolution of 8.7% FWHM at -150/sup 0/C, using a pulse peaking time of 10 ..mu..s. When two 3 mm x 3 mm x 15 mm BGO crystals are coupled individually to SPDs and also coupled to a common 14 mm diam PMT, the SPDs detect the 511 keV photopeak with a resolution of 30% FWHM at -76/sup 0/C. In coincidence with an opposing 3 mm wide BGO crystal, the SPDs are able to identify the crystal of interaction with good signal-to-noise ratio, and the detector pair resolution is 2 mm FWHM. 32 references, 7 figures, 3 tables.

  11. The Bgo-Opendipole Setup at Elsa

    NASA Astrophysics Data System (ADS)

    Schmieden, Hartmut

    At the electron accelerator facility ELSA of the University of Bonn presently the new BGO-OpenDipole experiment is being setup. It is optimized for meson photoproduction final states of mixed charges. The detector combines hermetic coverage for photon detection through the BGO ball of the former GRAAL experiment with high resolution detection of forward going charged particles in the Open Dipole spectrometer. This setup is well suited for many different channels, including pseudoscalar, vectormeson and associated strangeness photoproduction. This contribution highlights the strangeness channels associated with the Λ and Σ ground states and the Λ(1405) excited state.

  12. Using MCNP for Compton Scattering Calculations with BGO Scintillators

    NASA Astrophysics Data System (ADS)

    Board, Jeremy; Womble, Phillip; Barzilov, Alexander

    2007-04-01

    Compton scattering is the process wherein photons scatter on the electrons within a material. In a detector, some of these scattered photons leave the detector with only part of their full energy. This creates a continuum which changes the signal to noise ratio with a gamma ray spectrum. For high resolution detectors such as high purity Ge (HPGe) solid state gamma ray detectors, a secondary detector surrounds the HPGe. The purpose of the secondary detector (made of a high Z material) is to detect the scattered photons. When both detectors have coincident photon events, a special circuit stops the data acquisition from acquiring the signal from the HPGe. Our goal is to design the optimal Compton ``suppressor'' using bismuth germinate scintillators for gamma rays whose energies are much larger than 1 MeV. Currently such suppressors are designed for energies less than 2 MeV. We are using the Monte Carlo N-particle code to calculate the amount of photon scattering in the HPGe into geometry of BGO surrounding the HPGe crystal. We are estimating both photon and electron fluence through the volume of BGO.

  13. Environmental test of the BGO calorimeter for DArk Matter Particle Explorer

    NASA Astrophysics Data System (ADS)

    Hu, Yi-Ming; Chang, Jin; Chen, Deng-Yi; Guo, Jian-Hua; Zhang, Yun-Long; Feng, Chang-Qing

    2016-11-01

    DArk Matter Particle Explorer (DAMPE) is the first Chinese astronomical satellite, successfully launched on Dec. 17 2015. As the most important payload of DAMPE, the BGO calorimeter contains 308 bismuth germanate crystals, with 616 photomultiplier tubes, one coupled to each end of every crystal. Environmental tests have been carried out to explore the environmental adaptability of the flight model of the BGO calorimeter. In this work we report the results of the vibration tests. During the vibration tests, no visible damage occurred in the mechanical assembly. After random or sinusoidal vibrations, the change of the first order natural frequency of BGO calorimeter during the modal surveys is less than 5%. The shift ratio of Most Probable Value of MIPs changes in cosmic-ray tests are shown, the mean value of which is about -4%. The comparison of results of cosmic-ray tests before and after the vibration shows no significant change in the performance of the BGO calorimeter. All these results suggest that the calorimeter and its structure have passed through the environment tests successfully. Supported by National Natural Science Foundation of China (11203090, 11003051, 11273070) and Strategic Priority Research Program on Space Science of Chinese Academy of Sciences (XDA04040202)

  14. BGO as a hybrid scintillator / Cherenkov radiator for cost-effective time-of-flight PET.

    PubMed

    Brunner, Stefan E; Schaart, Dennis

    2017-03-30

    Due to detector developments in the last decade, the time-of-flight (TOF) method is now commonly used to improve the quality of positron emission tomography (PET) images. Clinical TOF-PET systems based on L(Y)SO:Ce crystals and silicon photomultipliers (SiPMs) with coincidence resolving times (CRT) between 325 ps and 400 ps FWHM have recently been developed. Before the introduction of L(Y)SO:Ce, BGO was used in many PET systems. In addition to a lower price, BGO offers a superior attenuation coefficient and a higher photoelectric fraction than L(Y)SO:Ce. However, BGO is generally considered an inferior TOF-PET scintillator. In recent years, TOF-PET detectors based on the Cherenkov effect have been proposed. However, the low Cherenkov photon yield in the order of ∽10 photons per event complicates energy discrimination-a severe disadvantage in clinical PET. The optical characteristics of BGO, in particular its high transparency down to 310 nm and its high refractive index of ∽2.15, are expected to make it a good Cherenkov radiator. Here, we study the feasibility of combining event timing based on Cherenkov emission with energy discrimination based on scintillation in BGO, as a potential approach towards a cost-effective TOF-PET detector. Rise time measurements were performed using a time-correlated single photon counting (TCSPC) setup implemented on a digital photon counter (DPC) array, revealing a prompt luminescent component likely to be due to Cherenkov emission. Coincidence timing measurements were performed using BGO crystals with a cross-section of 3 mm × 3 mm and five different lengths between 3 mm and 20 mm, coupled to DPC arrays. Non-Gaussian coincidence spectra with a FWHM of 200 ps were obtained with the 27 mm3 BGO cubes, while FWHM values as good as 330 ps were achieved with the 20 mm long crystals. The FWHM value was found to improve with decreasing temperature, while the FWTM value showed the opposite trend.

  15. The Bgo-Od Experiment at Elsa

    NASA Astrophysics Data System (ADS)

    Bantes, B.; Bayadilov, D.; Beck, R.; Becker, M.; Bella, A.; Bieling, J.; Böse, S.; Braglieri, A.; Brinkmann, K.; Burdeynyi, D.; Curciarello, F.; de Leo, V.; di Salvo, R.; Dutz, H.; Elsner, D.; Fantini, A.; Frese, T.; Friedrick, S.; Frommberger, F.; Ganenko, V.; Gervino, G.; Ghio, F.; Giardina, G.; Girolami, B.; Glazier, D.; Goertz, S.; Gridnev, A.; Gutz, E.; Hammann, D.; Hannappel, J.; Hillert, W.; Ignatov, A.; Jahn, O.; Jahn, R.; Joosten, R.; Jude, T. C.; Klein, F.; Koop, K.; Krusche, B.; Lapik, A.; Levi Sandri, P.; Lopatin, I.; Mandaglio, G.; Messi, F.; Messi, R.; Metag, V.; Moricciani, D.; Nanova, M.; Nedorezov, V.; Noviskiy, D.; Pedroni, P.; Romaniuk, M.; Rostomyan, T.; Schaerf, C.; Schmieden, H.; Sumachev, V.; Tarakonov, V.; Vegna, V.; Vlasov, P.; Walther, D.; Watts, D.; Zaunick, H.-G.; Zimmermann, T.

    2014-01-01

    Meson photoproduction is a key tool for the experimental investigation of the nucleon excitation spectrum. To disentangle the specific couplings of resonances, in addition to the rather well measured pion and eta photoproduction channels it is mandatory to obtain information on channels involving strange and vector mesons and higher mass pseudoscalar mesons, and the associated multi-particle final states with both charged and neutral particles. In this respect, the new BGO-OD experiment at the ELSA accelerator of the University of Bonn's Physikalisches Institut provides unique instrumentation. We describe the experiment, present its status and the initial program of measurements.

  16. Readout Electronics for BGO Calorimeter of DAMPE: Status during the First Half-year after Launching

    NASA Astrophysics Data System (ADS)

    Ma, Siyuan; Feng, Changqing; Zhang, Deliang; Wang, Qi

    2016-07-01

    The DAMPE (DArk Matter Particle Explorer) is a scientic satellite which was successfully launched into a 500 Km sun-synchronous orbit, on December 17th, 2015, from the Jiuquan Satellite Launch Center of China. The major scientific objective of DAMPE mission is indirect searching for dark matter by observing high energy primary cosmic rays, especially positrons/electrons and gamma rays with an energy range from 5 GeV to 10 TeV. The BGO (Bismuth Germanate Oxide) calorimeter, which is a critical sub-detector of DAMPE payload, was developed for measuring the energy of cosmic particles, distinguishing positrons/electrons and gamma rays from hadron background, and providing trigger information. It is composed of 308 BGO crystal logs, with the size of 2.5cm*2.5cm*60cm for each log to form a total absorption electromagnetic calorimeter. All the BGO logs are stacked in 14 layers, with each layer consisting of 22 BGO crystal logs and each log is viewed by two Hamamatsu R5610A PMTs (photomultiplier tubes), from both sides respectively. Each PMT incorporates a three dynode pick off to achieve a large dynamic range, which results in 616 PMTs and 1848 signal channels. The main function of readout electronics system, which consists of 16 FEE(Front End Electronics) modules, is to precisely measure the charge of PMT signals and providing "hit" signals. The hit signals are sent to the trigger module of PDPU (Payload Data Process Unit) to generate triggers for the payload. The calibration of the BGO calorimeter is composed of pedestal testing and electronic linear scale, which are executed frequently in the space after launching. The data of the testing is transmitted to ground station in the form of scientific data. The monitor status consists of temperature, current and status words of the FEE, which are measured and recorded every 16 seconds and packed in the engineering data, then transmitted to ground station. The status of the BGO calorimeter can be evaluated by the calibration

  17. Crystal growth furnace safety system validation

    NASA Technical Reports Server (NTRS)

    Mackowski, D. W.; Hartfield, R.; Bhavnani, S. H.; Belcher, V. M.

    1994-01-01

    The findings are reported regarding the safe operation of the NASA crystal growth furnace (CGF) and potential methods for detecting containment failures of the furnace. The main conclusions are summarized by ampoule leak detection, cartridge leak detection, and detection of hazardous species in the experiment apparatus container (EAC).

  18. Thermoluminescence studies of Nd doped Bi4Ge3O12 crystals irradiated by UV and beta sources.

    PubMed

    Karabulut, Y; Canimoglu, A; Ekdal, E; Ayvacikli, M; Can, N; Karali, T

    2016-07-01

    Thermoluminescence (TL) glow curves of pure and rare earth doped bismuth germanate (BGO) were investigated under UV and beta radiation. The glow curves of pure BGO crystal present different patterns for both kinds of radiation. The TL glow curves of BGO crystals doped with Nd ions are similar to that of pure BGO under UV radiation. The kinetic parameters, kinetic order (b), activation energy (E) and frequency factor (s) of the TL glow curves of pure BGO crystal have been determined by peak shape method. Activation energies of 3 peaks obtained by PS were found to be 1.81, 1.15 and 1.78, respectively.

  19. Testing a prototype BGO calorimeter with 100-800 MeV positron beams

    NASA Astrophysics Data System (ADS)

    Ishikawa, T.; Fujimura, H.; Grigoriev, D. N.; Hashimoto, R.; Kaida, S.; Kitazawa, R.; Kuznetsov, G. N.; Nakamura, A.; Shimizu, H.; Suzuki, K.; Takahashi, S.; Tsuchikawa, Y.; Vasiliev, Ya. V.; Yamazaki, H.

    2016-11-01

    An electromagnetic calorimeter, BGOegg, composed of 1320 BGO crystals, has been constructed at the Research Center for Electron Photon Science, Tohoku University to study the structure of hadrons in detail using photo-induced reactions. The design of the new electromagnetic calorimeter and the basic characteristics of the manufactured BGO crystals are described. A performance test has been conducted for the prototype, which consists of 25 crystals arranged in a 5×5 matrix, using positron beams at energies ranging from 100 to 800 MeV. The obtained energy resolution is (σE / E) 2 =(0.63 %) 2 +(1.15 % ± 0.04 %) 2 /(E / GeV) +(0.42 % ± 0.03 %) 2 /(E / GeV) 2 at room temperature. The energy resolution corresponds to 1.38 % ± 0.05 % for 1-GeV positrons. The position resolution is found to be σr / mm =(3.07 ± 0.03)(E / GeV) - 0.202 ± 0.008 which corresponds to an angular resolution of approximately 1 ° for 1-GeV positrons.

  20. On the validity of Avrami formalism in primary crystallization

    NASA Astrophysics Data System (ADS)

    Bruna, Pere; Crespo, Daniel; González-Cinca, Ricard; Pineda, Eloi

    2006-09-01

    Calorimetric data of primary crystallization is usually interpreted in the framework of the Kolmogorov [Dokl. Akad. Nauk SSSR 1, 355 (1937)], Johnson and Mehl [Trans. AIME 135, 416 (1939)], and Avrami [J. Chem. Phys. 7, 1103 (1939); 8, 212 (1940); 9, 177 (1941)] (KJMA) theory. However, while the KJMA theory assumes random nucleation and exhaustion of space by direct impingement, primary crystallization is usually driven by diffusion-controlled growth with soft impingement between the growing crystallites. This results in a stop of the growth before the space is fully crystallized and induces nonrandom nucleation. In this work, phase-field simulations are used to check the validity of different kinetic models for describing primary crystallization kinetics. The results show that KJMA theory provides a good approximation to the soft-impingement and nonrandom nucleation effects. Moreover, these effects are not responsible of the slowing down of the kinetics found experimentally in the primary crystallization of glasses.

  1. Calibration of BGO Calorimeter of the DAMPE in Space

    NASA Astrophysics Data System (ADS)

    Wang, Chi

    2016-07-01

    The Dark Matter Particle Explore (DAMPE) is a satellite based experiment which launched on December 2015 and aims at indirect searching for dark matter by measuring the spectra of high energy e±, γ from 5GeV up to 10TeV originating from deep space. The 3D imaging BGO calorimeter of DAMPE was designed to precisely measurement the primary energy of the electromagnetic particle and provides a highly efficient rejection of the hadronic background by reconstruct the longitudinal and lateral profiles of showers. To achieve the expected accuracy on the energy measurement, each signal channel has to be calibrated. The energy equalization is performed using the signal that Minimum Ionizing Particles (MIP) leave in each BGO bar, the MIPs measurement method with orbit data and, data quality, time stability using MIPs data will be presented, too.

  2. Neutron detection and applications using a BC454/BGO array

    SciTech Connect

    Miller, M.C.; Biddle, R.S.; Bourret, S.C.

    1998-12-01

    Neutron detection and multiplicity counting has been investigated using a boron-loaded plastic scintillator (BC454)/bismuth germanate (BGO) phoswich detector array. Boron-loaded plastic combines neutron moderation (H) and detection ({sup 10}B) at the molecular level, thereby physically coupling increasing detection efficiency and decreasing die-away time with detector volume. Separation of the phoswich response into its plastic scintillator and bismuth germanate components was accomplished on an event-by-event basis using custom integrator and timing circuits, enabling a prompt coincidence requirement between the BC454 and BGO to be used to identify neutron captures. In addition, a custom time-tag module was used to provide a time for each detector event. Time-correlation analysis was subsequently performed on the filtered event stream to obtain shift-register-type singles and doubles count rates.

  3. Characterization and analysis of NaI(Tl) and BGO detectors

    SciTech Connect

    Harrison, J.R.

    1994-09-01

    There have been many studies concerning the performance characteristics of NaI(Tl) and BGO scintillating crystals, most of which generate data by algorithms rather than from experimentation. Those studies which do deal with collected data, however, usually test only a few detecting units. It was, therefore, the purpose of this project to develop a characterization method and to characterize a large number of scintillators of various sizes and histories as well as to create a performance profile based on the data collected. The energy ranges at which the detectors show relatively good resolution % and photo peak efficiency was also desired for future reference. Enough statistical data was collected and analyzed so that a differentiation between those detectors which perform well and those that do not can be made.

  4. Study on Radiation Condition in DAMPE Orbit by Analyzing the Engineering Data of BGO Calorimeter

    NASA Astrophysics Data System (ADS)

    Feng, Changqing; Liu, Shubin; Zhang, Yunlong; Ma, Siyuan

    2016-07-01

    The DAMPE (DArk Matter Particle Explorer) is a scientific satellite which was successfully launched into a 500 Km sun-synchronous orbit, on December 17th, 2015, from the Jiuquan Satellite Launch Center of China. The major scientific objectives of the DAMPE mission are primary cosmic ray, gamma ray astronomy and dark matter particles, by observing high energy primary cosmic rays, especially positrons/electrons and gamma rays with an energy range from 5 GeV to 10 TeV. The BGO calorimeter is a critical sub-detector of DAMPE payload, for measuring the energy of cosmic particles, distinguishing positrons/electrons and gamma rays from hadron background, and providing trigger information. It utilizes 308 BGO (Bismuth Germanate Oxide) crystal logs with the size of 2.5cm*2.5cm*60cm for each log, to form a total absorption electromagnetic calorimeter. All the BGO logs are stacked in 14 layers, with each layer consisting of 22 BGO crystal logs and each log is viewed by two Hamamatsu R5610A PMTs (photomultiplier tubes), from both sides respectively. In order to achieve a large dynamic range, each PMT base incorporates a three dynode (2, 5, 8) pick off, which results in 616 PMTs and 1848 signal channels. The readout electronics system, which consists of 16 FEE (Front End Electronics) modules, was developed. Its main functions are based on the Flash-based FPGA (Field Programmable Gate Array) chip and low power, 32-channel VA160 and VATA160 ASICs (Application Specific Integrated Circuits) for precisely measuring the charge of PMT signals and providing "hit" signals as well. The hit signals are sent to the trigger module of PDPU (Payload Data Process Unit) and the hit rates of each layer is real-timely recorded by counters and packed into the engineering data, which directly reflect the flux of particles which fly into or pass through the detectors. In order to mitigate the SEU (Single Event Upset) effect in radioactive space environment, certain protecting methods, such as TMR

  5. Commissioning and initial experimental program of the BGO-OD experiment at ELSA

    NASA Astrophysics Data System (ADS)

    Alef, S.; Bauer, P.; Bayadilov, D.; Beck, R.; Becker, M.; Bella, A.; Bielefeldt, P.; Böse, S.; Braghieri, A.; Brinkmann, K.; Cole, P.; Di Salvo, R.; Dutz, H.; Elsner, D.; Fantini, A.; Freyermuth, O.; Friedrich, S.; Frommberger, F.; Ganenko, V.; Geffers, D.; Gervino, G.; Ghio, F.; Görtz, S.; Gridnev, A.; Gutz, E.; Hammann, D.; Hannappel, J.; Hillert, W.; Ignatov, A.; Jahn, R.; Joosten, R.; Jude, T. C.; Klein, F.; Knaust, J.; Kohl, K.; Koop, K.; Krusche, B.; Lapik, A.; Levi Sandri, P.; Lopatin, I. V.; Mandaglio, G.; Messi, F.; Messi, R.; Metag, V.; Moricciani, D.; Mushkarenkov, A.; Nanova, M.; Nedorezov, V.; Novinskiy, D.; Pedroni, P.; Reitz, B.; Romaniuk, M.; Rostomyan, T.; Rudnev, N.; Schaerf, C.; Scheluchin, G.; Schmieden, H.; Stugelev, A.; Sumachev, V.; Tarakanov, V.; Vegna, V.; Walther, D.; Watts, D.; Zaunick, H.; Zimmermann, T.

    2016-11-01

    BGO-OD is a new meson photoproduction experiment at the ELSA facility of Bonn University. It aims at the investigation of non strange and strange baryon excitations, and is especially designed to be able to detect weekly bound meson-baryon type structures. The setup for the BGO-OD experiment is presented, the characteristics of the photon beam and the detector performances are shown and the initial experimental program is discussed.

  6. Crystallization of sodium chloride from a concentrated calcium chloride-potassium chloride-sodium chloride solution in a CMSMPR crystallizer: Observation of crystal size distribution and model validation

    NASA Astrophysics Data System (ADS)

    Choi, Byung Sang

    Compared to overwhelming technical data available in other advanced technologies, knowledge about particle technology, especially in particle synthesis from a solution, is still poor due to the lack of available equipment to study crystallization phenomena in a crystallizer. Recent technical advances in particle size measurement such as Coulter counter and laser light scattering have made in/ex situ study of some of particle synthesis, i.e., growth, attrition, and aggregation, possible with simple systems. Even with these advancements in measurement technology, to grasp fully the crystallization phenomena requires further theoretical and technical advances in understanding such particle synthesis mechanisms. Therefore, it is the motive of this work to establish the general processing parameters and to produce rigorous experimental data with reliable performance and characterization that rigorously account for the crystallization phenomena of nucleation, growth, aggregation, and breakage including their variations with time and space in a controlled continuous mixed-suspension mixed-product removal (CMSMPR) crystallizer. This dissertation reports the results and achievements in the following areas: (1) experimental programs to support the development and validation of the phenomenological models and generation of laboratory data for the purpose of testing, refining, and validating the crystallization process, (2) development of laboratory well-mixed crystallizer system and experimental protocols to generate crystal size distribution (CSD) data, (3) the effects of feed solution concentration, crystallization temperature, feed flow rate, and mixing speed, as well as different types of mixers resulting in the evolution of CSDs with time from a concentrated brine solution, (4) with statistically designed experiments the effects of processing variables on the resultant particle structure and CSD at steady state were quantified and related to each of those operating

  7. Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations.

    PubMed

    van de Streek, Jacco; Neumann, Marcus A

    2010-10-01

    This paper describes the validation of a dispersion-corrected density functional theory (d-DFT) method for the purpose of assessing the correctness of experimental organic crystal structures and enhancing the information content of purely experimental data. 241 experimental organic crystal structures from the August 2008 issue of Acta Cryst. Section E were energy-minimized in full, including unit-cell parameters. The differences between the experimental and the minimized crystal structures were subjected to statistical analysis. The r.m.s. Cartesian displacement excluding H atoms upon energy minimization with flexible unit-cell parameters is selected as a pertinent indicator of the correctness of a crystal structure. All 241 experimental crystal structures are reproduced very well: the average r.m.s. Cartesian displacement for the 241 crystal structures, including 16 disordered structures, is only 0.095 Å (0.084 Å for the 225 ordered structures). R.m.s. Cartesian displacements above 0.25 A either indicate incorrect experimental crystal structures or reveal interesting structural features such as exceptionally large temperature effects, incorrectly modelled disorder or symmetry breaking H atoms. After validation, the method is applied to nine examples that are known to be ambiguous or subtly incorrect.

  8. Comparison of LSO and BGO block detectors for prompt gamma imaging in ion beam therapy

    NASA Astrophysics Data System (ADS)

    Hueso-González, F.; Biegun, A. K.; Dendooven, P.; Enghardt, W.; Fiedler, F.; Golnik, C.; Heidel, K.; Kormoll, T.; Petzoldt, J.; Römer, K. E.; Schwengner, R.; Wagner, A.; Pausch, G.

    2015-09-01

    A major weakness of ion beam therapy is the lack of tools for verifying the particle range in clinical routine. The application of the Compton camera concept for the imaging of prompt gamma rays, a by-product of the irradiation correlated to the dose distribution, is a promising approach for range assessment and even three-dimensional in vivo dosimetry. Multiple position sensitive gamma ray detectors arranged in scatter and absorber planes, together with an imaging algorithm, are required to reconstruct the prompt gamma emission density map. Conventional block detectors deployed in Positron Emission Tomography (PET), which are based on Lu2SiO5:Ce (LSO) and Bi4Ge3O12 (BGO) scintillators, are suitable candidates for the absorber of a Compton camera due to their high density and absorption efficiency with respect to the prompt gamma energy range (several MeV). We compare experimentally LSO and BGO block detectors in clinical-like radiation fields in terms of energy, spatial and time resolution. The high energy range compensates for the low light yield of the BGO material and boosts significantly its performance compared to the PET scenario. Notwithstanding the overall superiority of LSO, BGO catches up in the field of prompt gamma imaging and can be considered as a competitive alternative to LSO for the absorber plane due to its lower price and the lack of intrinsic radioactivity.

  9. The Design and Realization of Linear Calibration System of a Large Dynamic Range Readout Unit for a BGO Calorimeter

    NASA Astrophysics Data System (ADS)

    Xie, Ming-Gang; Guo, Jian-Hua; Wu, Jian; Chang, Jin

    2015-01-01

    The DArk Matter Particle Explorer (DAMPE) is proposed by the Purple Mountain Observatory, Chinese Academy of Sciences. This project expects to find the evidence of the existence of dark matter particles in the universe via the detection of the high-energy electrons and gamma-ray particles produced possibly by the annihilation of dark matter particles. The major component of the satellite payload is a BGO (Bismuth Germanate Oxide) calorimeter, which is used to detect the particles in the energy range from 5 GeV to 10 TeV. According to a physical simulation, the dynamic range of each BGO detection unit is about 1.5×105. In order to test the readout linearity of the BGO detection unit, we have implemented a simple linear calibration system covering such a large dynamic range. The experimental result shows that the readout nonlinearity of the BGO detection unit in the entire dynamic range is less than 2.7%.

  10. AAPS and US FDA Crystal City VI workshop on bioanalytical method validation for biomarkers.

    PubMed

    Lowes, Steve; Ackermann, Bradley L

    2016-02-01

    Crystal City VI Workshop on Bioanalytical Method Validation of Biomarkers, Renaissance Baltimore Harborplace Hotel, Baltimore, MD, USA, 28-29 September 2015 The Crystal City VI workshop was organized by the American Association of Pharmaceutical Scientists in association with the US FDA to continue discussion on the bioanalysis of biomarkers. An outcome of the Crystal City V workshop, convened following release of the draft FDA Guidance for Industry on Bioanalytical Methods Validation in 2013 was the need to have further discussion on biomarker methods. Biomarkers ultimately became the sole focal point for Crystal City VI, a meeting attended by approximately 200 people and composed of industry scientists and regulators from around the world. The meeting format included several panel discussions to maximize the opportunity for dialogue among participants. Following an initial session on the general topic of biomarker assays and intended use, more focused sessions were held on chromatographic (LC-MS) and ligand-binding assays. In addition to participation by the drug development community, significant representation was present from clinical testing laboratories. The experience of this latter group, collectively identified as practitioners of CLIA (Clinical Laboratory Improvement Amendments), helped shape the discussion and takeaways from the meeting. While the need to operate within the framework of the current BMV guidance was clearly acknowledged, a general understanding that biomarker methods validation cannot be adequately depicted by current PK-centric guidelines emerged as a consensus from the meeting. This report is not intended to constitute the official proceedings from Crystal City VI, which is expected to be published in early 2016.

  11. Gordon Research Conference on Crystal Growth (1990)

    DTIC Science & Technology

    1990-04-01

    5500 Standard Form 298 (Rev. 2-89) Prescribed b ANSI td. 1I39G r 91102 _,r GORDON RESEARCH CONFERENCE ON CRYSTAL GROWTH Casa Sirena Marina Hotel...RESEARCH CONFERENCES CRYSTAL GROWTH CASA SIRENA MARINA HOTEL, OXNARDCA MARGARET BROWN (Chairman) MICHAEL A. DiGIUSEPPE (Vice Chairman) MARCH 11-16. 1990...Europium Doped BGO Crystals GORDON RESEARCH CONFERENCES Crystal Growth March 12-16, 1990 Casa Sirena Resort Oxnard, California Registration List Iwan

  12. Evaluation of a BGO-based PET System for Single-Cell Tracking Performance by Simulation and Phantom Studies

    PubMed Central

    Ouyang, Yu; Kim, Tae Jin; Pratx, Guillem

    2017-01-01

    A recent method based on positron emission was reported for tracking moving point sources using the Inveon PET system. However, the effect of scanner background noise was not further explored. Here, we evaluate tracking with the Genisys4, a bismuth germanate (BGO) based PET system, which has no significant intrinsic background and may be better suited to tracking lower and/or faster activity sources. Position-dependent sensitivity of the Genisys4 was simulated in GATE using a static 18F point source. Trajectories of helically moving point sources with varying activity and rotation speed were reconstructed from list-mode data as previously described. Simulations showed that the Inveon’s ability to track sources within 2 mm of localization error is limited to objects with a velocity-to-activity ratio < 0.13 mm/decay, compared to < 0.29 mm/decay for the Genisys4. Tracking with the Genisys4 was then validated using a physical phantom of helically moving [18F]FDG-in-oil droplets (< 0.24 mm diameter, 139 to 296 Bq), yielding < 1 mm localization error under the tested conditions, with good agreement between simulated sensitivity and measured activity (Pearson’s correlation R = 0.64, P ≪ 0.05 in a representative example). We have investigated the tracking performance with the Genisys4, and results suggest the feasibility of tracking low activity, point source-like objects with this system. PMID:27175009

  13. A study on dual readout crystal calorimeter for hadron and jet energy measurement at a future lepton collider

    SciTech Connect

    Yeh, G.P.; /Fermilab

    2010-01-01

    Studies of requirements and specifications of crystals are necessary to develop a new generation of crystals for dual readout crystal hadron or total absorption calorimeter. This is a short and basic study of the characteristics and hadron energy measurement of PbWO4 and BGO crystals for scintillation and Cerenkov Dual Readout hadron calorimeter.

  14. Validation Ice Crystal Icing Engine Test in the Propulsion Systems Laboratory at NASA Glenn Research Center

    NASA Technical Reports Server (NTRS)

    Oliver, Michael J.

    2014-01-01

    The Propulsion Systems Laboratory (PSL) is an existing altitude simulation jet engine test facility located at NASA Glenn Research Center in Clevleand, OH. It was modified in 2012 with the integration of an ice crystal cloud generation system. This paper documents the inaugural ice crystal cloud test in PSLthe first ever full scale, high altitude ice crystal cloud turbofan engine test to be conducted in a ground based facility. The test article was a Lycoming ALF502-R5 high bypass turbofan engine, serial number LF01. The objectives of the test were to validate the PSL ice crystal cloud calibration and engine testing methodologies by demonstrating the capability to calibrate and duplicate known flight test events that occurred on the same LF01 engine and to generate engine data to support fundamental and computational research to investigate and better understand the physics of ice crystal icing in a turbofan engine environment while duplicating known revenue service events and conducting test points while varying facility and engine parameters. During PSL calibration testing it was discovered than heated probes installed through tunnel sidewalls experienced ice buildup aft of their location due to ice crystals impinging upon them, melting and running back. Filtered city water was used in the cloud generation nozzle system to provide ice crystal nucleation sites. This resulted in mineralization forming on flow path hardware that led to a chronic degradation of performance during the month long test. Lacking internal flow path cameras, the response of thermocouples along the flow path was interpreted as ice building up. Using this interpretation, a strong correlation between total water content (TWC) and a weaker correlation between median volumetric diameter (MVD) of the ice crystal cloud and the rate of ice buildup along the instrumented flow path was identified. For this test article the engine anti-ice system was required to be turned on before ice crystal icing

  15. Validation Ice Crystal Icing Engine Test in the Propulsion Systems Laboratory at NASA Glenn Research Center

    NASA Technical Reports Server (NTRS)

    Oliver, Michael J.

    2014-01-01

    The Propulsion Systems Laboratory (PSL) is an existing altitude simulation jet engine test facility located at NASA Glenn Research Center in Cleveland, OH. It was modified in 2012 with the integration of an ice crystal cloud generation system. This paper documents the inaugural ice crystal cloud test in PSL--the first ever full scale, high altitude ice crystal cloud turbofan engine test to be conducted in a ground based facility. The test article was a Lycoming ALF502-R5 high bypass turbofan engine, serial number LF01. The objectives of the test were to validate the PSL ice crystal cloud calibration and engine testing methodologies by demonstrating the capability to calibrate and duplicate known flight test events that occurred on the same LF01 engine and to generate engine data to support fundamental and computational research to investigate and better understand the physics of ice crystal icing in a turbofan engine environment while duplicating known revenue service events and conducting test points while varying facility and engine parameters. During PSL calibration testing it was discovered than heated probes installed through tunnel sidewalls experienced ice buildup aft of their location due to ice crystals impinging upon them, melting and running back. Filtered city water was used in the cloud generation nozzle system to provide ice crystal nucleation sites. This resulted in mineralization forming on flow path hardware that led to a chronic degradation of performance during the month long test. Lacking internal flow path cameras, the response of thermocouples along the flow path was interpreted as ice building up. Using this interpretation, a strong correlation between total water content (TWC) and a weaker correlation between median volumetric diameter (MVD) of the ice crystal cloud and the rate of ice buildup along the instrumented flow path was identified. For this test article the engine anti-ice system was required to be turned on before ice crystal

  16. A BGO-CsI(Tl) phoswich: A new detector for X- and γ-ray astronomy

    NASA Astrophysics Data System (ADS)

    Costa, E.; Massaro, E.; Piro, L.

    1986-03-01

    The BGO pulse decay time, similar to that of NaI(Tl), allows the use of this high-Z scintillator as phoswich component instead of the largely employed NaI(Tl). We have verified the feasibility of this new type of detector for possible use in X- and γ-ray astronomy experiments. Measurements on two laboratory prototypes of BGO-CsI(Tl) phoswich have shown a remarkably good pulse-shape discrimination and excellent linearity performances across a wide energy interval (60-2000 keV). The only penalty is a slight reduction in resolution (essentially due to the poor light yield of BGO when compared to NaI), largely compensated by the high photopeak efficiency, even for small BGO thickness. We have also investigated the deviation of BGO from a pure proportional relationship between pulse height and photon energy, which turns out to be opposite to that of NaI(Tl). Now at Istituto TE.S.R.E., CNR, Via dei Castagnoli 1, 40126 Bologna, Italy.

  17. The TOF-RPC for the BGO-EGG experiment at LEPS2

    NASA Astrophysics Data System (ADS)

    Tomida, N.; Tran, N.; Niiyama, M.; Ohnishi, H.; Hsieh, C.-Y.; Chu, M.-L.; Chang, W.-C.; Chen, J.-Y.; Matsumura, Y.; Shiraishi, K.; Hashimoto, T.

    2014-10-01

    We have developed Resistive Plate Chambers (RPCs) and the FEEs for the Time-of-Flight (TOF) system of the BGO-EGG experiment at LEPS2. The TOF system has an excellent time resolution of 50 ps with large readout strips of 2.5 × 100 cm2. The large readout strip and the signal combining technique enable us to cover the area of 6.4 m2 with only 256 channels of the readout electronics. The details of the RPC and the FEE are described in this article.

  18. The Design and Realization of Linear Calibration System of a Large Dynamic Range Readout Unit for a BGO Calorimeter

    NASA Astrophysics Data System (ADS)

    Xie, M. G.; Guo, J. H.; Wu, J.; Chang, J.

    2014-03-01

    The DArk Matter Particle Explorer (DAMPE) is proposed by Purple Mountain Observatory, Chinese Academy of Sciences. This project expects to find the evidence of the existence of dark matter particle in the universe via the detection of high-energy electron and gamma-ray. A major component of the payload is a BGO (Bismuth Germanate Oxide) calorimeter, which is used to detect the particles in the energy range from 5 GeV to 10 TeV. According to a physical simulation, the dynamic range of each BGO detection unit is about 1.5×10^{5}. In order to test the linearity of BGO detection readout unit, we implement a simple linearity calibration system covering such a large dynamic range. The experimental result shows that the nonlinearity of the entire dynamic range is less than 2.7%.

  19. Single event effect hardness for the front-end ASICs in the DAMPE satellite BGO calorimeter

    NASA Astrophysics Data System (ADS)

    Gao, Shan-Shan; Jiang, Di; Feng, Chang-Qing; Xi, Kai; Liu, Shu-Bin; An, Qi

    2016-01-01

    The Dark Matter Particle Explorer (DAMPE) is a Chinese scientific satellite designed for cosmic ray studies with a primary scientific goal of indirect detection of dark matter particles. As a crucial sub-detector, the BGO calorimeter measures the energy spectrum of cosmic rays in the energy range from 5 GeV to 10 TeV. In order to implement high-density front-end electronics (FEE) with the ability to measure 1848 signals from 616 photomultiplier tubes on the strictly constrained satellite platform, two kinds of 32-channel front-end ASICs, VA160 and VATA160, are customized. However, a space mission period of more than 3 years makes single event effects (SEEs) become threats to reliability. In order to evaluate SEE sensitivities of these chips and verify the effectiveness of mitigation methods, a series of laser-induced and heavy ion-induced SEE tests were performed. Benefiting from the single event latch-up (SEL) protection circuit for power supply, the triple module redundancy (TMR) technology for the configuration registers and the optimized sequential design for the data acquisition process, 52 VA160 chips and 32 VATA160 chips have been applied in the flight model of the BGO calorimeter with radiation hardness assurance. Supported by Strategic Priority Research Program on Space Science of the Chinese Academy of Sciences (XDA04040202-4) and Fundamental Research Funds for the Central Universities (WK2030040048)

  20. Stability order of caffeine co-crystals determined by co-crystal former exchange reaction and its application for the validation of in silico models.

    PubMed

    Mukaida, Makoto; Sugano, Kiyohiko; Terada, Katsuhide

    2015-01-01

    The purpose of the present study was to determine the thermodynamic stability orders of co-crystals by co-crystal former (CCF) exchange reactions. Caffeine (CA) was employed as a model drug. The CCF exchange reaction was performed by liquid-assisted grinding using ethanol. When oxalic acid (OX) was added to CA-citric acid co-crystal (CA-CI), CA-CI converted to CA-OX, suggesting that CA-OX is more stable than CA-CI. The stability orders of other co-crystals were determined in the same manner. The stability order of CA co-crystals was determined as CA-OX≈CA-p-hydroxybenzoic acid (HY)>CA-CI>CA-malonic acid>CA-maleic acid. The stability order correlated with the difference in hydrogen bond energy estimated in silico, except for CA-HY. The π-π stacking in CA-HY was suggested as a reason for this discrepancy. The CCF exchange reaction was demonstrated as a useful method to determine the stability order of co-crystals, which can be used for the validation of in silico parameters to predict co-crystal formation.

  1. Workshop Report: Crystal City VI-Bioanalytical Method Validation for Biomarkers.

    PubMed

    Arnold, Mark E; Booth, Brian; King, Lindsay; Ray, Chad

    2016-11-01

    With the growing focus on translational research and the use of biomarkers to drive drug development and approvals, biomarkers have become a significant area of research within the pharmaceutical industry. However, until the US Food and Drug Administration's (FDA) 2013 draft guidance on bioanalytical method validation included consideration of biomarker assays using LC-MS and LBA, those assays were created, validated, and used without standards of performance. This lack of expectations resulted in the FDA receiving data from assays of varying quality in support of efficacy and safety claims. The AAPS Crystal City VI (CC VI) Workshop in 2015 was held as the first forum for industry-FDA discussion around the general issues of biomarker measurements (e.g., endogenous levels) and specific technology strengths and weaknesses. The 2-day workshop served to develop a common understanding among the industrial scientific community of the issues around biomarkers, informed the FDA of the current state of the science, and will serve as a basis for further dialogue as experience with biomarkers expands with both groups.

  2. Free kick instead of cross-validation in maximum-likelihood refinement of macromolecular crystal structures

    SciTech Connect

    Pražnikar, Jure; Turk, Dušan

    2014-12-01

    The maximum-likelihood free-kick target, which calculates model error estimates from the work set and a randomly displaced model, proved superior in the accuracy and consistency of refinement of crystal structures compared with the maximum-likelihood cross-validation target, which calculates error estimates from the test set and the unperturbed model. The refinement of a molecular model is a computational procedure by which the atomic model is fitted to the diffraction data. The commonly used target in the refinement of macromolecular structures is the maximum-likelihood (ML) function, which relies on the assessment of model errors. The current ML functions rely on cross-validation. They utilize phase-error estimates that are calculated from a small fraction of diffraction data, called the test set, that are not used to fit the model. An approach has been developed that uses the work set to calculate the phase-error estimates in the ML refinement from simulating the model errors via the random displacement of atomic coordinates. It is called ML free-kick refinement as it uses the ML formulation of the target function and is based on the idea of freeing the model from the model bias imposed by the chemical energy restraints used in refinement. This approach for the calculation of error estimates is superior to the cross-validation approach: it reduces the phase error and increases the accuracy of molecular models, is more robust, provides clearer maps and may use a smaller portion of data for the test set for the calculation of R{sub free} or may leave it out completely.

  3. Front-end electronics for the tagger of the BGO-OD experiment

    NASA Astrophysics Data System (ADS)

    Messi, Francesco

    2013-08-01

    The BGO-OD experiment is intended for the systematic investigation of the photo-production of mesons off the nucleon. The experiment will use bremsstrahlung photons from an e- beam incident upon a thin radiator. The photon energy will be measured via the deflection of the electrons in the magnetic field of a photon tagger. The B-FrED is a 16 channel double-threshold discriminator and shaper board designed as Front-End Electronics for the new Tagger detector of the experiment. It is a 6U-VME form factor card. The analog input stage has 1.7 GHz bandwidth. The output stage provides two LVDS signals with an expected jitter of ∼ 8 ps with respect to the input signal. The threshold settings are managed by a micro-controller which is remotely accessible through Ethernet.

  4. Response of BGO detectors to photons of 3-50 MeV energy

    NASA Astrophysics Data System (ADS)

    Matulewicz, T.; Henning, W.; Emling, H.; Freifelder, R.; Grein, H.; Grosse, E.; Herrmann, N.; Holzmann, R.; Kulessa, R.; Simon, R. S.; Wollersheim, H. J.; Schoch, B.; Vogt, J.; Wilhelm, M.; Kratz, J. V.; Schmidt, R.; Janssens, R. V. F.

    1993-02-01

    The response of an array of 7 hexagonal BGO detectors each 7.5 cm long (6.7 radiation lengths) with 3.6 cm side-to-side distance was measured using monochromatic photons from the tagged-photon facility at the electron accelerator MAMI A at Mainz. The experimental spectra of the deposited energy for a single detector and for the array of seven modules compare very well with the predictions of Monte Carlo shower simulations using the code GEANT3. Significant improvement of the energy resolution is observed for the summed energy spectra compared to the resolution of a single module. This improvement deteriorates at higher photon energies because the length of the detector is not sufficient to absorb the forward component of the electromagnetic shower.

  5. Testing and assessment of a large BGO detector for beach monitoring of radioactive particles

    NASA Astrophysics Data System (ADS)

    van der Graaf, E. R.; Rigollet, C.; Maleka, P. P.; Jones, D. G.

    2007-06-01

    The Beach Monitoring Steering Group (BMSG) was set up by UKAEA to explore whether improved systems for beach monitoring of radioactive particles are available. The BMSG commissioned the British Geological Survey (BGS) and the Nuclear Geophysics Division of the Kernfysisch Versneller Instituut (KVI/NGD), and other companies, to test their most sensitive system. This paper presents the results of trials in a specially created test facility at UKAEA Harwell with a large BGO detector. The detector's size and weight mean that it would be suitable for vehicle deployment but would be too large and heavy to carry in areas that could not be accessed by a vehicle. However, it would be possible to use the same methodology that is described here with a smaller detector capable of being carried in a backpack, albeit with reduced sensitivity for particle detection. The approach that we present is also applicable, with modifications, to the detection of offshore particles using a towed seabed detector.

  6. GAMMASPHERE: Timing and signal processing aspects of the BGO Compton shield

    SciTech Connect

    Goulding, F.S.; Landis, D.A.; Madden, N.; Maier, M.; Yaver, H.

    1993-10-01

    We describe the design of the signal processing system and considerations involved in the timing performance of the BGO scintillator Compton shield that surrounds each of the 110 large germanium detectors used in the geodesic array covering the complete sphere surrounding the target in GAMMASPHERE. It is shown that the main timing limitation results from the statistics of photoelectron emission from the photocathode of the photomultiplier tubes (PMTs) that observe the light from the scintillators and that achieving the required timing demands triggering on the first photoelectron. The circuits to do this for a single detector assembly must be able to deal with signals from 14 PMTs associated with the 7 elements of the scintillator shield surrounding each germanium detector.

  7. Energy correction for the BGO calorimeter of DAMPE using an electron beam

    NASA Astrophysics Data System (ADS)

    Li, Zhi-Ying; Zhang, Zhi-Yong; Wei, Yi-Feng; Wang, Chi; Zhang, Yun-Long; Wen, Si-Cheng; Wang, Xiao-Lian; Xu, Zi-Zong; Huang, Guang-Shun

    2016-08-01

    The DArk Matter Particle Explorer is an orbital indirect dark matter search experiment which measures the spectra of photons, electrons and positrons originating from deep space. The electromagnetic calorimeter (ECAL), made of bismuth germinate (BGO), is one of the key sub-detectors of DAMPE, and is designed for energy measurement with a large dynamic range from 5 GeV to 10 TeV. In this paper, methods for energy correction are discussed, in order to reconstruct the primary energy of the incident electrons. Different methods are chosen for the appropriate energy ranges. The correction results of Geant4 simulation and beam test data (at CERN) are presented. Supported by the Chinese 973 Program (2010CB833002), the Strategic Priority Research Program on Space Science of the Chinese Academy of Science (XDA04040202-4) and 100 Talents Program of CAS

  8. Onboard calibration circuit for the DAMPE BGO calorimeter front-end electronics

    NASA Astrophysics Data System (ADS)

    Zhang, De-Liang; Feng, Chang-Qing; Zhang, Jun-Bin; Wang, Qi; Ma, Si-Yuan; Shen, Zhong-Tao; Jiang, Di; Gao, Shan-Shan; Zhang, Yun-Long; Guo, Jian-Hua; Liu, Shu-Bin; An, Qi

    2016-05-01

    DAMPE (DArk Matter Particle Explorer) is a scientific satellite which is mainly aimed at indirectly searching for dark matter in space. One critical sub-detector of the DAMPE payload is the BGO (bismuth germanium oxide) calorimeter, which contains 1848 PMT (photomultiplier tube) dynodes and 16 FEE (Front-End Electronics) boards. VA160 and VATA160, two 32-channel low power ASICs (Application Specific Integrated Circuits), are adopted as the key components on the FEEs to perform charge measurement for the PMT signals. In order to monitor the parameter drift which may be caused by temperature variation, aging, or other environmental factors, an onboard calibration circuit is designed for the VA160 and VATA160 ASICs. It is mainly composed of a 12-bit DAC (Digital to Analog Converter), an operational amplifier and an analog switch. Test results showed that a dynamic range of 0-30 pC with a precision of 5 fC (Root Meam Square, RMS) was achieved, which covers the VA160’s input range. It can be used to compensate for the temperature drift and test the trigger function of the FEEs. The calibration circuit has been implemented for the front-end electronics of the BGO Calorimeter and verified by all the environmental tests for both Qualification Model and Flight Model of DAMPE. The DAMPE satellite was launched at the end of 2015 and the calibration circuit will operate periodically in space. Supported by Strategic Priority Research Program on Space Science of Chinese Academy of Sciences (XDA04040202-4), and National Basic Research Program (973 Program) of China (2010CB833002) and National Natural Science Foundation of China (11273070)

  9. Magnesium-binding architectures in RNA crystal structures: validation, binding preferences, classification and motif detection

    PubMed Central

    Zheng, Heping; Shabalin, Ivan G.; Handing, Katarzyna B.; Bujnicki, Janusz M.; Minor, Wladek

    2015-01-01

    The ubiquitous presence of magnesium ions in RNA has long been recognized as a key factor governing RNA folding, and is crucial for many diverse functions of RNA molecules. In this work, Mg2+-binding architectures in RNA were systematically studied using a database of RNA crystal structures from the Protein Data Bank (PDB). Due to the abundance of poorly modeled or incorrectly identified Mg2+ ions, the set of all sites was comprehensively validated and filtered to identify a benchmark dataset of 15 334 ‘reliable’ RNA-bound Mg2+ sites. The normalized frequencies by which specific RNA atoms coordinate Mg2+ were derived for both the inner and outer coordination spheres. A hierarchical classification system of Mg2+ sites in RNA structures was designed and applied to the benchmark dataset, yielding a set of 41 types of inner-sphere and 95 types of outer-sphere coordinating patterns. This classification system has also been applied to describe six previously reported Mg2+-binding motifs and detect them in new RNA structures. Investigation of the most populous site types resulted in the identification of seven novel Mg2+-binding motifs, and all RNA structures in the PDB were screened for the presence of these motifs. PMID:25800744

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

    NASA Technical Reports Server (NTRS)

    Evans, K. Franklin

    2004-01-01

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

  11. Using Magnetic Fields to Control Convection during Protein Crystallization: Analysis and Validation Studies

    NASA Technical Reports Server (NTRS)

    Ramachandran, N.; Leslie, F. W.

    2004-01-01

    The effect of convection during the crystallization of proteins is not very well understood. In a gravitational field, convection is caused by crystal sedimentation and by solutal buoyancy induced flow and these can lead to crystal imperfections. While crystallization in microgravity can approach diffusion limited growth conditions (no convection), terrestrially strong magnetic fields can be used to control fluid flow and sedimentation effects. In this work, we develop the analysis for magnetic flow control and test the predictions using analog experiments. Specifically, experiments on solutal convection in a paramagnetic fluid were conducted in a strong magnetic field gradient using a dilute solution of Manganese Chloride. The observed flows indicate that the magnetic field can completely counter the settling effects of gravity locally and are consistent with the theoretical predictions presented. This phenomenon suggests that magnetic fields may be useful in mimicking the microgravity environment of space for some crystal growth ana biological applications where fluid convection is undesirable.

  12. A 4-D dataset for validation of crystal growth in a complex three-phase material, ice cream

    NASA Astrophysics Data System (ADS)

    Rockett, P.; Karagadde, S.; Guo, E.; Bent, J.; Hazekamp, J.; Kingsley, M.; Vila-Comamala, J.; Lee, P. D.

    2015-06-01

    Four dimensional (4D, or 3D plus time) X-ray tomographic imaging of phase changes in materials is quickly becoming an accepted tool for quantifying the development of microstructures to both inform and validate models. However, most of the systems studied have been relatively simple binary compositions with only two phases. In this study we present a quantitative dataset of the phase evolution in a complex three-phase material, ice cream. The microstructure of ice cream is an important parameter in terms of sensorial perception, and therefore quantification and modelling of the evolution of the microstructure with time and temperature is key to understanding its fabrication and storage. The microstructure consists of three phases, air cells, ice crystals, and unfrozen matrix. We perform in situ synchrotron X-ray imaging of ice cream samples using in-line phase contrast tomography, housed within a purpose built cold-stage (-40 to +20oC) with finely controlled variation in specimen temperature. The size and distribution of ice crystals and air cells during programmed temperature cycling are determined using 3D quantification. The microstructural evolution of three-phase materials has many other important applications ranging from biological to structural and functional material, hence this dataset can act as a validation case for numerical investigations on faceted and non-faceted crystal growth in a range of materials.

  13. Status of the Argonne-Notre Dame BGO gamma-ray facility at ATLAS

    SciTech Connect

    Janssens, R.V.; Blumenthal, D.J.; Carpenter, M.P.

    1995-08-01

    The gamma-ray facility at ATLAS consists of (a) a 4{pi} gamma-sum/multiplicity spectrometer with 50 BGO hexagonal elements (inner array) and (b) 12 Compton-suppressed germanium detectors (CSG) external to the inner array. During the past year the effort related to this facility continued on several fronts. Because of neutron damage, annealing was performed on eight Ge detectors. Three of these were annealed twice. The performance of the detectors was recovered in all but one case. In the latter, the FET was lost and the detector was returned to the manufacturer for repair. Maintenance and repairs had to be performed on several electronics modules and, in particular, on some of the CAMAC units. None of these problems affected an experiment for more than a couple of hours. Preventive maintenance was performed on the LN{sub 2} filling system (inspection of all filling lines and check of the various functions of the control modules). 10 of the CSGs were moved to the FMA for long periods of time on three different occasions and were used in conjunction with this device. Such a move takes about 1 day, does not require that the Ge detectors be warmed up, and has not resulted in any noticeable loss in performance of the CSGs. A new dedicated target chamber was designed and constructed. This chamber allows us to place a target upstream from the usual location, outside of the array. In this way it is possible to study decays from isomers after recoil from the target into a stopper located at the focus of the {gamma}-ray facility.

  14. Validity Using Pump-Probe Pulses to Determine the Optical Response of Niobate Crystals

    NASA Technical Reports Server (NTRS)

    Liu, Huimin; Jia, Weiyi

    1997-01-01

    A variety of niobate crystals have found their places in nonlinear optical applications as well as in laser devices. In recent years much attention has been paid to study the ultrafast optical response in a variety of photorefractive crystals such as KTa(1-x)Nb(x)O3 and KNbO3 crystals, glasses, semiconductors and polymers for applications in optical switching, information processing, optical computing, and all-optical device systems. Third-order optical nonlinearity is the most important property for realization of all-optical switching. Therefore experiments have been performed on the third order susceptibility using a variety of techniques such as the third-order harmonic generation, EFISH and degenerate four-wave mixing(DFWM). The latter has been conducted with a variety of pump wavelengths and with nanosecond, picosecond and femtosecond pulses. Niobate crystals, such as potassium niobate KNbO3, potassium tantalate niobate KTN family (KTa(1-x)Nb(x)O3), strontium barium niobate SBN (Sr(x)Ba(1-x)Nb2O6) and potassium-sodium niobate SBN (KNSBN) are attractive due to their photorefractive properties for application in optical storage and processing. The pulsed probe experiments performed on theses materials have suggested two types of time responses. These responses have been associated with an coherent response due to Chi(sup 3), and a long lived component due to excited state population. Recent study of DFWM on KNbO3 and KTN family reveals that the long lived component of those crystals depends on the crystal orientation. A slowly decaying signal is observable when the grating vector K(sub g) is not perpendicular to the C-axis of those photorefractive crystals', otherwise the optical response signal would be only a narrow coherent peak with FWHM equal to the cross-correlation width of the write beam pulses. Based on this understanding, we study the photodynamical process of a variety of niobate crystals using DFWM in a Kg perpindicular to C geometry with a ps

  15. Far infrared transmission of a thick TGS single crystal at 7K, and beers' law validity

    NASA Astrophysics Data System (ADS)

    Gerbaux, X.; Marin Cudraz, H.

    1990-01-01

    Far IR transmission of a thick Triglycine Sulfate (TGS) single crystal t=8 mm thick is compared with calculations using the absorption index measured with a very thin t=13 μm thick plate. Big discrepancies suggest the occurence of surface layers.

  16. Validation of a Crystal Plasticity Model Using High Energy Diffraction Microscopy

    NASA Technical Reports Server (NTRS)

    Beaudoin, A. J.; Obstalecki, M.; Storer, R.; Tayon, W.; Mach, J.; Kenesei, P.; Lienert, U.

    2012-01-01

    High energy diffraction microscopy is used to measure the crystallographic orientation and evolution of lattice strain in an Al Li alloy. The relative spatial arrangement of the several pancake-shaped grains in a tensile sample is determined through in situ and ex situ techniques. A model for crystal plasticity with continuity of lattice spin is posed, where grains are represented by layers in a finite element mesh following the arrangement indicated by experiment. Comparison is drawn between experiment and simulation.

  17. A Validation Study of the General Amber Force Field Applied to Energetic Molecular Crystals

    NASA Astrophysics Data System (ADS)

    Bergh, Magnus; Caleman, Carl

    2016-01-01

    Molecula dynamics is a well-established tool to computationally study molecules. However, to reach predictive capability at the level required for applied research and design, extensive validation of the available force fields is pertinent. Here we present a study of density, isothermal compressibility and coefficients of thermal expansion of four energetic materials (FOX-7, RDX, CL-20 and HMX) based on molecular dynamics simulations with the General Amber Force Field (GAFF), and compare the results to experimental measurements from the literature. Furthermore, we quantify the accuracy of the calculated properties through hydrocode simulation of a typical impact scenario. We find that molecular dynamics simulations with generic and computationally efficient force fields may be used to understand and estimate important physical properties of nitramine-like energetic materials.

  18. Crystal Plasticity Model Validation Using Combined High-Energy Diffraction Microscopy Data for a Ti-7Al Specimen

    NASA Astrophysics Data System (ADS)

    Turner, Todd J.; Shade, Paul A.; Bernier, Joel V.; Li, Shiu Fai; Schuren, Jay C.; Kenesei, Peter; Suter, Robert M.; Almer, Jonathan

    2017-02-01

    High-Energy Diffraction Microscopy (HEDM) is a 3-d X-ray characterization method that is uniquely suited to measuring the evolving micro-mechanical state and microstructure of polycrystalline materials during in situ processing. The near-field and far-field configurations provide complementary information; orientation maps computed from the near-field measurements provide grain morphologies, while the high angular resolution of the far-field measurements provides intergranular strain tensors. The ability to measure these data during deformation in situ makes HEDM an ideal tool for validating micro-mechanical deformation models that make their predictions at the scale of individual grains. Crystal Plasticity Finite Element Models (CPFEM) are one such class of micro-mechanical models. While there have been extensive studies validating homogenized CPFEM response at a macroscopic level, a lack of detailed data measured at the level of the microstructure has hindered more stringent model validation efforts. We utilize an HEDM dataset from an alpha-titanium alloy (Ti-7Al), collected at the Advanced Photon Source, Argonne National Laboratory, under in situ tensile deformation. The initial microstructure of the central slab of the gage section, measured via near-field HEDM, is used to inform a CPFEM model. The predicted intergranular stresses for 39 internal grains are then directly compared to data from 4 far-field measurements taken between 4 and 80 pct of the macroscopic yield strength. The evolution of the elastic strain state from the CPFEM model and far-field HEDM measurements up to incipient yield are shown to be in good agreement, while residual stress at the individual grain level is found to influence the intergranular stress state even upon loading. Implications for application of such an integrated computational/experimental approach to phenomena such as fatigue are discussed.

  19. Modeling, Molecular Dynamics Simulation, and Mutation Validation for Structure of Cannabinoid Receptor 2 Based on Known Crystal Structures of GPCRs

    PubMed Central

    2015-01-01

    The cannabinoid receptor 2 (CB2) plays an important role in the immune system. Although a few of GPCRs crystallographic structures have been reported, it is still challenging to obtain functional transmembrane proteins and high resolution X-ray crystal structures, such as for the CB2 receptor. In the present work, we used 10 reported crystal structures of GPCRs which had high sequence identities with CB2 to construct homology-based comparative CB2 models. We applied these 10 models to perform a prescreen by using a training set consisting of 20 CB2 active compounds and 980 compounds randomly selected from the National Cancer Institute (NCI) database. We then utilized the known 170 cannabinoid receptor 1 (CB1) or CB2 selective compounds for further validation. Based on the docking results, we selected one CB2 model (constructed by β1AR) that was most consistent with the known experimental data, revealing that the defined binding pocket in our CB2 model was well-correlated with the training and testing data studies. Importantly, we identified a potential allosteric binding pocket adjacent to the orthosteric ligand-binding site, which is similar to the reported allosteric pocket for sodium ion Na+ in the A2AAR and the δ-opioid receptor. Our studies in correlation of our data with others suggested that sodium may reduce the binding affinities of endogenous agonists or its analogs to CB2. We performed a series of docking studies to compare the important residues in the binding pockets of CB2 with CB1, including antagonist, agonist, and our CB2 neutral compound (neutral antagonist) XIE35-1001. Then, we carried out 50 ns molecular dynamics (MD) simulations for the CB2 docked with SR144528 and CP55940, respectively. We found that the conformational changes of CB2 upon antagonist/agonist binding were congruent with recent reports of those for other GPCRs. Based on these results, we further examined one known residue, Val1133.32, and predicted two new residues, Phe183 in

  20. Experimental Identification and validation of a crystal plasticity model for a low carbon steel on different length scales

    SciTech Connect

    Hoffman, T.; Bertram, A.; Shim, S.; Tischler, Jonathan Zachary; Larson, Ben C

    2010-01-01

    Micro-macro approaches are of increasing importance for metal forming simulations and, accordingly, the number of new micro-macro models is increasing as well. Thus, there is a need for adequate identification and validation methods for such models. These methods can be based on experiments on the polycrystalline scale (macro scale), but the use of experiments on the individual single-crystal grain scale (micro scale) has been suggested as well. In this presentation, experiments on both scales and, in parallel, FEM-simulations are presented, in order to compare the results of both approaches. All specimens stem from a rolled sheet of the deep-drawing steel DC04. In addition to the usual macroscopic shear and tensile tests, microscopic indenter tests have been performed. From the micro-indentation tests, which have been applied to single grains of the polycrystalline DC04 steel sheet, various types of deformation data can be measured. Within this presentation we will focus on orientation changes induced by spherical-indentation in the region below the indent, which have been measured using micron-resolution 3D x-ray microscopy and simulated using FEM. In addition, the sensitivity of the calculated orientation changes with respect to {l_brace}110{r_brace} versus {l_brace}112{r_brace} slip planes is discussed.

  1. Validation and Determination of Ice Water Content - Radar Reflectivity Relationships during CRYSTAL-FACE: Flight Requirements for Future Comparisons

    NASA Technical Reports Server (NTRS)

    Sayres, D. S.; Smith, J. B.; Pittman, J. V.; Weinstock, E. M.; Anderson, J. G.; Heymsfield, G.; Fridland, A. M.; Ackerman, A. S.

    2007-01-01

    In order for clouds to be more accurately represented in global circulation models (GCM), there is need for improved understanding of the properties of ice such as the total water in ice clouds, called ice water content (IWC), ice particle sizes and their shapes. Improved representation of clouds in models will enable GCMs to better predict for example, how changes in emissions of pollutants affect cloud formation and evolution, upper tropospheric water vapor, and the radiative budget of the atmosphere that is crucial for climate change studies. An extensive cloud measurement campaign called CRYSTAL-FACE was conducted during Summer 2002 using instrumented aircraft and a variety of instruments to measure properties of ice clouds. This paper deals with the measurement of IWC using the Harvard water vapor and total water instruments on the NASA WB-57 high-altitude aircraft. The IWC is measured directly by these instruments at the altitude of the WB-57, and it is compared with remote measurements from the Goddard Cloud Radar System (CRS) on the NASA ER-2. CRS measures vertical profiles of radar reflectivity from which IWC can be estimated at the WB-57 altitude. The IWC measurements obtained from the Harvard instruments and CRS were found to be within 20-30% of each other. Part of this difference was attributed to errors associated with comparing two measurements that are not collocated in time an space since both aircraft were not in identical locations. This study provides some credibility to the Harvard and CRS-derived IWC measurements that are in general difficult to validate except through consistency checks using different measurement approaches.

  2. A DOI Detector With Crystal Scatter Identification Capability for High Sensitivity and High Spatial Resolution PET Imaging

    PubMed Central

    Gu, Z.; Prout, D. L.; Silverman, R. W.; Herman, H.; Dooraghi, A.; Chatziioannou, A. F.

    2015-01-01

    A new phoswich detector is being developed at the Crump Institute, aiming to provide improvements in sensitivity, and spatial resolution for PET. The detector configuration is comprised of two layers of pixelated scintillator crystal arrays, a glass light guide and a light detector. The annihilation photon entrance (top) layer is a 48 × 48 array of 1.01 × 1.01 × 7 mm3 LYSO crystals. The bottom layer is a 32 × 32 array of 1.55 × 1.55 × 9 mm3 BGO crystals. A tapered, multiple-element glass lightguide is used to couple the exit end of the BGO crystal array (52 × 52 mm2) to the photosensitive area of the Position Sensitive Photomultiplier Tube (46 × 46 mm2), allowing the creation of flat panel detectors without gaps between the detector modules. Both simulations and measurements were performed to evaluate the characteristics and benefits of the proposed design. The GATE Monte Carlo simulation indicated that the total fraction of the cross layer crystal scatter (CLCS) events in singles detection mode for this detector geometry is 13.2%. The large majority of these CLCS events (10.1% out of 13.2%) deposit most of their energy in a scintillator layer other than the layer of first interaction. Identification of those CLCS events for rejection or correction may lead to improvements in data quality and imaging performance. Physical measurements with the prototype detector showed that the LYSO, BGO and CLCS events were successfully identified using the delayed charge integration (DCI) technique, with more than 95% of the LYSO and BGO crystal elements clearly resolved. The measured peak-to-valley ratios (PVR) in the flood histograms were 3.5 for LYSO and 2.0 for BGO. For LYSO, the energy resolution ranged from 9.7% to 37.0% full width at half maximum (FWHM), with a mean of 13.4 ± 4.8%. For BGO the energy resolution ranged from 16.0% to 33.9% FWHM, with a mean of 18.6 ± 3.2%. In conclusion, these results demonstrate that the proposed detector is feasible and can

  3. Practical Qβ analysis method based on the Fermi-Kurie plot for spectra measured with total absorption BGO detector

    NASA Astrophysics Data System (ADS)

    Hayashi, Hiroaki; Kojima, Yasuaki; Shibata, Michihiro; Kawade, Kiyoshi

    2010-01-01

    A practical method based on Fermi-Kurie plots was newly proposed in order to analyze β-decay energy ( Qβ) measured with a total absorption BGO detector. The detector has large efficiencies; all β-rays and subsequent γ-rays can be absorbed simultaneously, and the endpoint energy of the spectrum shows the Qβ. In the spectrum, different β-rays having maximum endpoint energies and forbiddenness are superimposed. To apply this method to the measured spectra, in addition to a simplified decay scheme that has a one-component β-ray fed to a pseudo-level Eγ, a mixed transition of the allowed and the unique-type first-forbidden transitions with a ratio of α was newly taken into account. Using the theoretical β-ray spectra, we verified that the Qβ can be deduced without information about the decay scheme, and described the dependences of the derived Qβ on Eγ and α. We also checked the reliability of this method by analyzing the spectra of fission products of 91-94Rb, 139-143Cs, 142Ba and 142,144La, which had well-determined Qβ up to 11 MeV. Consequently, we proposed that this method was applicable for analyzing spectra with a systematic uncertainty of 60 keV, when the analyzing regions were limited to about 1 MeV below the Qβ. Then, this method was also applied for re-analysis of the Qβ of neutron-rich rare earth nuclei.

  4. Conference report: AAPS and US FDA Crystal City V meeting on Quantitative Bioanalytical Method Validation and Implementation: feedback from the EBF.

    PubMed

    Smeraglia, John; McDougall, Stuart; Elsby, Karen; Companjen, Arjen; White, Stephen; Golob, Michaela; Brudny-Kloeppel, Margarete; Amsterdam, Peter van; Timmerman, Philip

    2014-03-01

    Crystal City V meeting on Quantitative Bioanalytical Method Validation and Implementation: 2013 Revised US FDA Guidance 3-5 December 2013, Hilton Baltimore, MD, USA The meeting provided an opportunity for Industry and regulators from the US FDA to discuss the recently published revised draft FDA Guidance for Industry on Bioanalytical Methods Validation during the 90 day review period. Key perspective and philosophical positions were shared leading to a healthy exchange of views and ideas on topics in the revised document. Discussions covered all aspects of bioanalytical method validation and method utilization. However, the main dialogue was focused on chromatographic methods, ligand-binding assay methods and biomarker analysis. The resulting open debate led to greater understanding of the document, but also provided clear feedback, including the request on harmonization with approved Bioanalytical Methods Validation guidance's release from other health authorities, as well as the consensus view between industry and the FDA. Members of the European Bioanalysis Forum summarized prospective discussions during the meeting in Baltimore; however, this Report is not intended to constitute the official proceedings from the meeting, which are expected to be published later this year.

  5. Visible to infrared low temperature photoluminescence of rare earth doped bismuth germanate crystals.

    PubMed

    Canimoglu, A; Ayvacikli, M; Karabulut, Y; Karali, T; Can, N

    2016-05-01

    In this paper, the influence of a series of rare earth (Eu, Tm, Nd) and Cr ion doping on the optical properties of BGO was investigated by means of photoluminescence (PL) from visible to IR region in the 10-300K temperature range using different types of detectors, namely, photomultiplier tube (PMT), InGaAs (IGA), and Si. Several samples were investigated having dopants concentrations of 0.3wt%Nd, 0.4wt%Tm, 0.06wt% Cr and 3ppm Eu. The PL spectra of the samples showed different luminescence behaviour which is assigned to the 4f intra shell transition from rare earth ions. The temperature dependence of the PL from rare earth doped BGO crystals is also examined.

  6. Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D).

    PubMed

    van de Streek, Jacco; Neumann, Marcus A

    2014-12-01

    In 2010 we energy-minimized 225 high-quality single-crystal (SX) structures with dispersion-corrected density functional theory (DFT-D) to establish a quantitative benchmark. For the current paper, 215 organic crystal structures determined from X-ray powder diffraction (XRPD) data and published in an IUCr journal were energy-minimized with DFT-D and compared to the SX benchmark. The on average slightly less accurate atomic coordinates of XRPD structures do lead to systematically higher root mean square Cartesian displacement (RMSCD) values upon energy minimization than for SX structures, but the RMSCD value is still a good indicator for the detection of structures that deserve a closer look. The upper RMSCD limit for a correct structure must be increased from 0.25 Å for SX structures to 0.35 Å for XRPD structures; the grey area must be extended from 0.30 to 0.40 Å. Based on the energy minimizations, three structures are re-refined to give more precise atomic coordinates. For six structures our calculations provide the missing positions for the H atoms, for five structures they provide corrected positions for some H atoms. Seven crystal structures showed a minor error for a non-H atom. For five structures the energy minimizations suggest a higher space-group symmetry. For the 225 SX structures, the only deviations observed upon energy minimization were three minor H-atom related issues. Preferred orientation is the most important cause of problems. A preferred-orientation correction is the only correction where the experimental data are modified to fit the model. We conclude that molecular crystal structures determined from powder diffraction data that are published in IUCr journals are of high quality, with less than 4% containing an error in a non-H atom.

  7. In silico identification and crystal structure validation of caspase-3 inhibitors without a P1 aspartic acid moiety

    PubMed Central

    Ganesan, Rajkumar; Jelakovic, Stjepan; Mittl, Peer R. E.; Caflisch, Amedeo; Grütter, Markus G.

    2011-01-01

    Using a fragment-based docking procedure, several small-molecule inhibitors of caspase-3 were identified and tested and the crystal structures of three inhibitor complexes were determined. The crystal structures revealed that one inhibitor (NSC 18508) occupies only the S1 subsite, while two other inhibitors (NSC 89167 and NSC 251810) bind only to the prime part of the substrate-binding site. One of the major conformational changes observed in all three caspase-3–inhibitor complexes is a rotation of the Tyr204 side chain, which blocks the S2 subsite. In addition, the structural variability of the residues shaping the S1–S4 as well as the S1′ subsites supports an induced-fit mechanism for the binding of the inhibitors in the active site. The high-resolution crystal structures reported here provide novel insights into the architecture of the substrate-binding site, which might be useful for the design of more potent caspase inhibitors. PMID:21821879

  8. Methods for Validation and Intercomparison of Remote Sensing and In situ Ice Water Measurements: Case Studies from CRYSTAL-FACE and Model Results

    NASA Technical Reports Server (NTRS)

    Sayres, D.S.; Pittman, J. V.; Smith, J. B.; Weinstock, E. M.; Anderson, J. G.; Heymsfield, G.; Li, L.; Fridlind, A.; Ackerman, A. S.

    2004-01-01

    Remote sensing observations, such as those from AURA, are necessary to understand the role of cirrus in determining the radiative and humidity budgets of the upper troposphere. Using these measurements quantitatively requires comparisons with in situ measurements that have previously been validated. However, a direct comparison of remote and in situ measurements is difficult due to the requirement that the spatial and temporal overlap be sufficient in order to guarantee that both instruments are measuring the same air parcel. A difficult as this might be for gas phase intercomparisons, cloud inhomogeneities significantly exacerbate the problem for cloud ice water content measurements. The CRYSTAL-FACE mission provided an opportunity to assess how well such intercomparisons can be performed and to establish flight plans that will be necessary for validation of future satellite instruments. During CRYSTAL-FACE, remote and in situ instruments were placed on different aircraft (NASA's ER-2 and WB-59, and the two planes flew in tandem so that the in situ payload flew in the field of view of the remote instruments. We show here that, even with this type of careful flight planning, it is not always possible to guarantee that remote and in situ instruments are viewing the same air parcel. We use ice water data derived from the in situ Harvard Total Water (HV-TW) instrument, and the remote Goddard Cloud Radar System (CRS) and show that agreement between HV-TW and CRS is a strong function of the horizontal separation and the time delay between the aircraft transects. We also use a cloud model to simulate possible trajectories through a cloud and evaluate the use of statistical analysis in determining the agreement between the two instruments. This type of analysis should guide flight planning for future intercomparison efforts, whether for aircraft or satellite-borne instrumentation.

  9. Validity of retinal oxygen saturation analysis: Hyperspectral imaging in visible wavelength with fundus camera and liquid crystal wavelength tunable filter

    NASA Astrophysics Data System (ADS)

    Hirohara, Yoko; Okawa, Yoshitaka; Mihashi, Toshifumi; Yamaguchi, Tatsuo; Nakazawa, Naoki; Tsuruga, Yasuko; Aoki, Hiroyuki; Maeda, Naoyuki; Uchida, Ichiro; Fujikado, Takashi

    2007-05-01

    The purpose of this paper was to investigate the feasibility of a newly developed hyperspectral fundus imaging camera with a liquid crystal tunable filter. The intensities of different wavelengths of light transmitted through an artery, vein, and the area surrounding these vessels and reflected out were measured, and the differential spectral absorptions were analyzed. Measurements were made from 16 normal eyes and from two artificial capillaries. The ratios of absorption (ROA) of arteries to veins from 500 to 580 nm (range 1) and from 600 to 720 nm (range 2) were calculated. For all eyes, the ROArange1 was larger than ROArange2. The ROA obtained from the artificial capillary filled with blood saturated with oxygen or nitrogen was similar to that of simulated data of oxy- and deoxyhemoglobin extinction rate. Most ROAs of human eyes were lower than those of the simulated data and the artificial capillaries. Oxygen saturation analysis by hyperspectral fundus imaging of retinal vessels were qualitatively in agreement with the in vitro analysis or simulated values. However, further improvements are necessary to evaluate the oxygen saturation quantitatively in the retinal blood vessels.

  10. Validation of an LC-MS/MS method for malachite green (MG), leucomalachite green (LMG), crystal violet (CV) and leucocrystal violet (LCV) residues in fish and shrimp.

    PubMed

    Ascari, Jociani; Dracz, Sérgio; Santos, Flávio A; Lima, J A; Diniz, Maria Helena G; Vargas, Eugênia A

    2012-01-01

    A quantitative liquid chromatography-tandem mass spectrometry (LC-MS/MS) method for the simultaneous analyses of malachite green (MG), crystal violet (CV) and its major metabolites, leucomalachite green (LMG) and leucocrystal violet (LCV) residues in fish and shrimp samples has been validated. Fish and shrimp samples were extracted with citrate buffer/acetonitrile, and the extracts were purified on strong cation-exchange (SCX) solid-phase extraction (SPE) cartridge. After conversion of LMG into MG using a post column oxidation reactor containing lead (IV) oxide (PbO(2)), the effluents were analysed. Residues were analysed using positive-ion electrospray ionisation (ESI). Identification and quantification of analytes were based on the ion transitions monitored by multiple reaction monitoring (MRM). Validation of the method was carried out in accordance with the Decision 2002/657/EC, which establishes criteria and procedures for the validation of methods. The following parameters were determined: decision limit (CCα), detection capability (CCβ), linearity, accuracy, precision, selectivity, specificity and matrix effect. The decision limits (CCα) for MG, LMG, CV and LCV were 0.164, 0.161, 0.248 and 0.860 µg kg(-1). The respective detection capabilities (CCβ) were 0.222, 0.218, 0.355 and 1.162 µg kg(-1). Typical recoveries (intermediate precision) in shrimp, for MG, CV, LMG and LCV for 2.0 µg kg(-1) level fortified samples using the optimised procedure were in the range 69%, 97%, 80.3% and 71.8%, respectively. The findings demonstrate the suitability of the method to detect simultaneously MG, CV and its metabolite (LMG and LCV) in fish and shrimp.

  11. SU-C-201-01: Investigation of the Effects of Scintillator Surface Treatment On Light Output Measurements with SiPM Detectors

    SciTech Connect

    Valenciaga, Y; Prout, D; Chatziioannou, A

    2015-06-15

    Purpose: To examine the effect of different scintillator surface treatments (BGO crystals) on the fraction of scintillation photons that exit the crystal and reach the photodetector (SiPM). Methods: Positron Emission Tomography is based on the detection of light that exits scintillator crystals, after annihilation photons deposit energy inside these crystals. A considerable fraction of the scintillation light gets trapped or absorbed after going through multiple internal reflections on the interfaces surrounding the crystals. BGO scintillator crystals generate considerably less scintillation light than crystals made of LSO and its variants. Therefore, it is crucial that the small amount of light produced by BGO exits towards the light detector. The surface treatment of scintillator crystals is among the factors affecting the ability of scintillation light to reach the detectors. In this study, we analyze the effect of different crystal surface treatments on the fraction of scintillation light that is detected by the solid state photodetector (SiPM), once energy is deposited inside a BGO crystal. Simulations were performed by a Monte Carlo based software named GATE, and validated by measurements from individual BGO crystals coupled to Philips digital-SiPM sensor (DPC-3200). Results: The results showed an increment in light collection of about 4 percent when only the exit face of the BGO crystal, is unpolished; compared to when all the faces are polished. However, leaving several faces unpolished caused a reduction of at least 10 percent of light output when the interaction occurs as far from the exit face of the crystal as possible compared to when it occurs very close to the exit face. Conclusion: This work demonstrates the advantages on light collection from leaving unpolished the exit face of BGO crystals. The configuration with best light output will be used to obtain flood images from BGO crystal arrays coupled to SiPM sensors.

  12. Steklite, KAl(SO4)2: A finding at the Tolbachik Volcano, Kamchatka, Russia, validating its status as a mineral species and crystal structure

    NASA Astrophysics Data System (ADS)

    Murashko, M. N.; Pekov, I. V.; Krivovichev, S. V.; Chernyatyeva, A. P.; Yapaskurt, V. O.; Zadov, A. E.; Zelensky, M. E.

    2013-12-01

    Steklite KAl(SO4)2 has been found in sublimates of the Yadovitaya (Poisonous) fumarole at the second cinder cone of the northern breach of the Great Fissure Tolbachik Eruption, Tolbachik volcano, Kamchatka Peninsula, Russia. Steklite was approved as a valid mineral species by the Commission on New Minerals, Nomenclature, and Mineral Classification of the International Mineralogical Association on June 2, 2011 (IMA no. 2011-041). The name steklite is left for this mineral, as it was named by Chesnokov et al. (1995) for its technogenic analog from a burnt dump of coal mine no. 47 at Kopeisk, the Southern Urals, Russia. It is named after the Russian word steklo, meaning glass, in allusion to the visual similarity of its lamellae to thin glass platelets. At Tolbachik, steklite is associated with alumoklyuchevskite, langbeinite, euchlorine, fedotovite, chalcocyanite, hematite, and lyonsite. It occurs as hexagonal or irregular-shaped lamellar crystals with the major form {001} reaching 30 μm in thickness and 0.2 mm (occasionally up to 1 mm) in width. The crystals are frequently split. They are combined into openwork aggregates or thin crusts up to 1.5 × 2.5 cm in area. Steklite is transparent and colorless, with vitreous luster. The cleavage is perfect, parallel to (001). The mineral is brittle. The Mohs' hardness is 2.5. D calc is 2.797 g/cm3. Steklite is optically uniaxial, (-), ω = 1.546(2), ɛ = 1.533(3). The chemical composition (wt %, electron-microprobe data) is as follows: 0.09 Na2O, 18.12 K2O, 0.08 CaO, 0.03 MnO, 2.02 Fe2O3, 18.18 Al2O3, 61.80 SO3. The total is 100.37. The empirical formula calculated on the basis of eight O atoms is: (K0.997Na0.008Ca0.004)Σ1.009(Al0.925Fe{0.066/3+}Mg0.003Mn0.001)Σ0.995S2.01O8. Steklite is trigonal, space group P321, a = 4.7281(3), c = 7.9936(5) Å, V = 154.76(17)Å3, Z =1. The strongest reflections in the X-ray powder diffraction pattern ( d, Å- I[ hkl]) are: 8.02-34[001], 4.085-11[100], 3.649-100[011, 101], 2

  13. Evaluation of a BGO-Based PET System for Single-Cell Tracking Performance by Simulation and Phantom Studies.

    PubMed

    Ouyang, Yu; Kim, Tae Jin; Pratx, Guillem

    2016-01-01

    A recent method based on positron emission was reported for tracking moving point sources using the Inveon PET system. However, the effect of scanner background noise was not further explored. Here, we evaluate tracking with the Genisys4, a bismuth germanate-based PET system, which has no significant intrinsic background and may be better suited to tracking lower and/or faster activity sources. Position-dependent sensitivity of the Genisys4 was simulated in Geant4 Application for Tomographic Emission (GATE) using a static (18)F point source. Trajectories of helically moving point sources with varying activity and rotation speed were reconstructed from list-mode data as described previously. Simulations showed that the Inveon's ability to track sources within 2 mm of localization error is limited to objects with a velocity-to-activity ratio < 0.13 mm/decay, compared to < 0.29 mm/decay for the Genisys4. Tracking with the Genisys4 was then validated using a physical phantom of helically moving [(18)F] fluorodeoxyglucose-in-oil droplets (< 0.24 mm diameter, 139-296 Bq), yielding < 1 mm localization error under the tested conditions, with good agreement between simulated sensitivity and measured activity (Pearson correlation R = .64, P < .05 in a representative example). We have investigated the tracking performance with the Genisys4, and results suggest the feasibility of tracking low activity, point source-like objects with this system.

  14. Fiber and crystals dual readout calorimeters

    NASA Astrophysics Data System (ADS)

    Cascella, Michele; Franchino, Silvia; Lee, Sehwook

    2016-11-01

    The RD52 (DREAM) collaboration is performing R&D on dual readout calorimetry techniques with the aim of improving hadronic energy resolution for future high energy physics experiments. The simultaneous detection of Cherenkov and scintillation light enables us to measure the electromagnetic fraction of hadron shower event-by-event. As a result, we could eliminate the main fluctuation which prevented from achieving precision energy measurement for hadrons. We have tested the performance of the lead and copper fiber prototypes calorimeters with various energies of electromagnetic particles and hadrons. During the beam test, we investigated the energy resolutions for electrons and pions as well as the identification of those particles in a longitudinally unsegmented calorimeter. Measurements were also performed on pure and doped PbWO4 crystals, as well as BGO and BSO, with the aim of realizing a crystal based dual readout detector. We will describe our results, focusing on the more promising properties of homogeneous media for the technique. Guidelines for additional developments on crystals will be also given. Finally we discuss the construction techniques that we have used to assemble our prototypes and give an overview of the ones that could be industrialized for the construction of a full hermetic calorimeter.

  15. An Aboveground Pulse-Tube-Based Bolometric Test Facility for the Validation of the LUMINEU $ {ZnMoO}_4$ ZnMoO 4 Crystals

    NASA Astrophysics Data System (ADS)

    Mancuso, M.; Chernyak, D. M.; Danevich, F. A.; Dumoulin, L.; Giachero, A.; Giuliani, A.; Godfrin, H.; Gotti, C.; Ivanov, I. M.; Maino, M.; Makarov, E. P.; Olivieri, E.; Pessina, G.; Shlegel, V. N.; Sultan, A.; Tenconi, M.; Vasiliev, Ya. V.

    2014-08-01

    The LUMINEU project aims at developing a pilot double beta decay experiment using scintillating bolometers based on ZnMoO crystals enriched in . In the next months regular deliveries of large-mass crystals are expected from the Nikolaev Institute of Inorganic Chemistry (Novosibirsk, Russia). It is therefore crucial for the LUMINEU program to test systematically and in real time these samples in terms of bolometric properties, light yield and internal radioactive contamination. In this paper we describe an aboveground cryogenic facility based on a dilution refrigerator coupled to a pulse-tube cooler capable performing these measurements. A 23.8 g crystal was fully characterised in this setup. We show also that macro-bolometers can be operated with high signal-to-noise ratio in liquid-free dilution refrigerators.

  16. Testing Relations of Crystallized and Fluid Intelligence and the Incremental Predictive Validity of Conscientiousness and Its Facets on Career Success in a Small Sample of German and Swiss Workers.

    PubMed

    Hagmann-von Arx, Priska; Gygi, Jasmin T; Weidmann, Rebekka; Grob, Alexander

    2016-01-01

    This study examined the relation of fluid and crystallized intelligence with extrinsic (occupational skill level, income) and intrinsic (job satisfaction) career success as well as the incremental predictive validity of conscientiousness and its facets. Participants (N = 121) completed the Reynolds Intellectual Assessment Scales (RIAS), the Revised NEO Personality Inventory (NEO-PI-R), and reported their occupational skill level, income, and job satisfaction. Results revealed that crystallized intelligence was positively related to occupational skill level, but not to income. The association of crystallized intelligence and job satisfaction was negative and stronger for the lowest occupational skill level, whereas it was non-significant for higher levels. Fluid intelligence showed no association with career success. Beyond intelligence, conscientiousness and its facet self-discipline were associated with income, whereas conscientiousness and its facets competence and achievement striving were associated with job satisfaction. The results are discussed in terms of their implications for the assessment process as well as for future research to adequately predict career success.

  17. Testing Relations of Crystallized and Fluid Intelligence and the Incremental Predictive Validity of Conscientiousness and Its Facets on Career Success in a Small Sample of German and Swiss Workers

    PubMed Central

    Hagmann-von Arx, Priska; Gygi, Jasmin T.; Weidmann, Rebekka; Grob, Alexander

    2016-01-01

    This study examined the relation of fluid and crystallized intelligence with extrinsic (occupational skill level, income) and intrinsic (job satisfaction) career success as well as the incremental predictive validity of conscientiousness and its facets. Participants (N = 121) completed the Reynolds Intellectual Assessment Scales (RIAS), the Revised NEO Personality Inventory (NEO-PI-R), and reported their occupational skill level, income, and job satisfaction. Results revealed that crystallized intelligence was positively related to occupational skill level, but not to income. The association of crystallized intelligence and job satisfaction was negative and stronger for the lowest occupational skill level, whereas it was non-significant for higher levels. Fluid intelligence showed no association with career success. Beyond intelligence, conscientiousness and its facet self-discipline were associated with income, whereas conscientiousness and its facets competence and achievement striving were associated with job satisfaction. The results are discussed in terms of their implications for the assessment process as well as for future research to adequately predict career success. PMID:27148112

  18. Using Three-Phase Flow of Immiscible Liquids to Prevent Coalescence of Droplets in Microfluidic Channels: Criteria to Identify theThird Liquid and Validation with Protein Crystallizations

    SciTech Connect

    Chen, D.; Li, L; Reyes, S; Adamson, D; Ismagilov, R

    2007-01-01

    This manuscript describes the effect of interfacial tensions on three-phase liquid-liquid-liquid flow in microfluidic channels and the use of this flow to prevent microfluidic plugs from coalescing. One problem in using microfluidic plugs as microreactors is the coalescence of adjacent plugs caused by the relative motion of plugs during flow. Here, coalescence of reagent plugs was eliminated by using plugs of a third immiscible liquid as spacers to separate adjacent reagent plugs. This work tested the requirements of interfacial tensions for plugs of a third liquid to be effective spacers. Two candidates satisfying the requirements were identified, and one of these liquids was used in the crystallization of protein human Tdp1 to demonstrate its compatibility with protein crystallization in plugs. This method for identifying immiscible liquids for use as a spacer will also be useful for applications involving manipulation of large arrays of droplets in microfluidic channels.

  19. Enhanced light extraction of scintillator using large-area photonic crystal structures fabricated by soft-X-ray interference lithography

    SciTech Connect

    Zhu, Zhichao; Wu, Shuang; Liu, Bo Cheng, Chuanwei; Gu, Mu; Chen, Hong; Xue, Chaofan; Zhao, Jun; Wang, Liansheng; Wu, Yanqing; Tai, Renzhong

    2015-06-15

    Soft-X-ray interference lithography is utilized in combination with atomic layer deposition to prepare photonic crystal structures on the surface of Bi{sub 4}Ge{sub 3}O{sub 12} (BGO) scintillator in order to extract the light otherwise trapped in the internal of scintillator due to total internal reflection. An enhancement with wavelength- and emergence angle-integration by 95.1% has been achieved. This method is advantageous to fabricate photonic crystal structures with large-area and high-index-contrast which enable a high-efficient coupling of evanescent field and the photonic crystal structures. Generally, the method demonstrated in this work is also suitable for many other light emitting devices where a large-area is required in the practical applications.

  20. Evaluation of granulated BGO, GSO:Ce, YAG:Ce, CaF 2:Eu and ZnS:Ag for alpha/beta pulse shape discrimination in a flow-cell radiation detector

    NASA Astrophysics Data System (ADS)

    DeVol, T. A.; Chotoo, S. B.; Fjeld, R. A.

    1999-04-01

    Granulated BGO, GSO:Ce, YAG:Ce, and CaF 2:Eu; CaF 2:Eu coated with a fluorescent polymer, and combinations of coated and uncoated CaF 2:Eu with ZnS:Ag were evaluated for their ability to discriminate between alpha and beta particles in a flow-cell radiation detector. The evaluations were based on the analysis of pulse shape spectra. Various granulated scintillators were packed into flow cell detectors that were coils of 3.0 mm OD×1.5 mm ID fluorinated ethylene propylene Teflon ® tubing positioned between dual photomultiplier tubes for analysis. The best pulse shape discrimination was obtained for a combination of equal masses of uncoated CaF 2:Eu (63-90 μm) and ZnS:Ag (10 μm), which had a 9% spillover. Additional research is needed to reduce the spillover.

  1. Synthesis, crystal structure and charge-distribution validation of β-Na4Cu(MoO4)3 adopting the alluadite structure-type

    PubMed Central

    Dridi, Wassim; Zid, Mohamed Faouzi

    2016-01-01

    Single crystals of a new variety of tetra­sodium copper(II) tris­[molybdate(VI)], Na4Cu(MoO4)3, have been synthesized by solid-state reactions and characterized by single-crystal X-ray diffraction. This alluaudite structure-type is characterized by the presence of infinite layers of composition (Cu/Na)2Mo3O14 parallel to the (100) plane, which are linked by MoO4 tetra­hedra, forming a three-dimensional framework containing two types of hexa­gonal channels in which Na+ cations reside. The Cu2+ and Na2+ cations are located at the same general site with occupancies of 0.5. All atoms are on general positions except for one Mo, two Na (site symmetry 2) and another Na (site symmetry -1) atom. One O atom is split into two separate positions with occupancies of 0.5. The title compound is isotypic with Na5Sc(MoO4)4 and Na3In2As3O12. The structure model is supported by bond-valence-sum (BVS) and charge-distribution CHARDI methods. β-Na4Cu(MoO4)3 is compared and discussed with the K4Cu(MoO4)3 and α-Na4Cu(MoO4)3 structures. PMID:27536391

  2. Investigations of Ba{sub 3}BP{sub 3}O{sub 12}:Eu{sup 2+} single crystal as a scintillator

    SciTech Connect

    Zhang, Zhi-Jun; Hu, Guan-Qin; Wang, Hong; Zhu, Lin-Lin; Zhao, Jing-Tai

    2014-04-01

    Highlights: • Eu{sup 2+}-activated Ba{sub 3}BP{sub 3}O{sub 12} single crystals have been grown by the top-seeded solution growth method (TSSG) for the first time. • Ba{sub 3}BP{sub 3}O{sub 12}:Eu{sup 2+} single crystal exhibits wide transparency in the wavelength range from 250 to 700 nm. • Ba{sub 3}BP{sub 3}O{sub 12}:Eu{sup 2+} single crystal shows high overall scintillation efficiency (1.8 times of BGO) and moderate decay time (860 ns). - Abstract: Single crystals of Ba{sub 3}BP{sub 3}O{sub 12}:Eu{sup 2+} with high optical quality have been grown by the top-seeded solution growth (TSSG) method using BPO{sub 4}–NaF mixture as the flux. Ba{sub 3}BP{sub 3}O{sub 12}:Eu{sup 2+} single crystal exhibits wide transparency in the wavelength range from 250 to 700 nm, and shows a broad emission band in the wavelength range of 350–650 nm when excited by X-ray radiation. The overall scintillation efficiency is about 1.8 times of that of BGO crystal under the same conditions. Its room temperature fluorescence decay curve exhibits a single-exponent shape with decay time of about 860 ns. It is worth noting that Ba{sub 3}BP{sub 3}O{sub 12}:Eu{sup 2+} single crystal may be of great interest for applications in the field of scintillation materials considering its scintillation properties, as well as the good chemical stability.

  3. Analysis of Crystallization Kinetics

    NASA Technical Reports Server (NTRS)

    Kelton, Kenneth F.

    1997-01-01

    A realistic computer model for polymorphic crystallization (i.e., initial and final phases with identical compositions), which includes time-dependent nucleation and cluster-size-dependent growth rates, is developed and tested by fits to experimental data. Model calculations are used to assess the validity of two of the more common approaches for the analysis of crystallization data. The effects of particle size on transformation kinetics, important for the crystallization of many systems of limited dimension including thin films, fine powders, and nanoparticles, are examined.

  4. Crystal Meth

    MedlinePlus

    ... from Other Parents Stories of Hope Crystal meth Crystal meth Story of Hope by giovanni January 3, ... about my drug addiction having to deal with Crystal meth. I am now in recovery and fighting ...

  5. Crystal Meth

    MedlinePlus

    ... Navigation Home / Stories of Hope / Crystal meth Crystal meth Story Of Hope By giovanni January 3rd, 2013 ... my drug addiction having to deal with Crystal meth. I am now in recovery and fighting my ...

  6. Crystal Creations.

    ERIC Educational Resources Information Center

    Whipple, Nona; Whitmore, Sherry

    1989-01-01

    Presents a many-faceted learning approach to the study of crystals. Provides instructions for performing activities including crystal growth and patterns, creating miniature simulations of crystal-containing rock formations, charcoal and sponge gardens, and snowflakes. (RT)

  7. Explicating Validity

    ERIC Educational Resources Information Center

    Kane, Michael T.

    2016-01-01

    How we choose to use a term depends on what we want to do with it. If "validity" is to be used to support a score interpretation, validation would require an analysis of the plausibility of that interpretation. If validity is to be used to support score uses, validation would require an analysis of the appropriateness of the proposed…

  8. Virtual Crystallizer

    SciTech Connect

    Land, T A; Dylla-Spears, R; Thorsness, C B

    2006-08-29

    Large dihydrogen phosphate (KDP) crystals are grown in large crystallizers to provide raw material for the manufacture of optical components for large laser systems. It is a challenge to grow crystal with sufficient mass and geometric properties to allow large optical plates to be cut from them. In addition, KDP has long been the canonical solution crystal for study of growth processes. To assist in the production of the crystals and the understanding of crystal growth phenomena, analysis of growth habits of large KDP crystals has been studied, small scale kinetic experiments have been performed, mass transfer rates in model systems have been measured, and computational-fluid-mechanics tools have been used to develop an engineering model of the crystal growth process. The model has been tested by looking at its ability to simulate the growth of nine KDP boules that all weighed more than 200 kg.

  9. Crystal growing

    NASA Technical Reports Server (NTRS)

    Neville, J. P.

    1990-01-01

    One objective is to demonstrate the way crystals grow and how they affect the behavior of material. Another objective is to compare the growth of crystals in metals and nonmetals. The procedures, which involve a supersaturated solution of a salt that will separate into crystals on cooling and the pouring off of an eutectic solution to expose the crystals formed by a solid solution when an alloy of two metals forms a solid and eutectic solution on cooling, are described.

  10. Apoferritin crystals

    NASA Technical Reports Server (NTRS)

    2001-01-01

    Dr. Alexander Chernov, of the Universities Space Research Association (USRA) and based at Marshall Space Flight Center, is investigating why protein crystals grown in space are, in about 20 percent of cases, better-ordered than those grown on the ground. They are testing the idea that the amount of impurities trapped by space-grown crystals may be different than the amount trapped by crystals grown on Earth because convection is negligible in microgravity. The concentrations or impurities in many space-grown crystals turned out to be several times lower than that in the terrestrial ones, sometimes below the detection limit. The ground-based experiment also showed that the amount of impurities per unit volume of the crystals was usually higher than the amount per unit volume of the solution. This means that a growing crystal actually purifies the solution in its immediate vicinity. Here, an impurity depletion zone is created around apoferritin crystals grown in gel, imitating microgravity conditions.

  11. Lysozyme Crystal

    NASA Technical Reports Server (NTRS)

    2004-01-01

    To the crystallographer, this may not be a diamond but it is just as priceless. A Lysozyme crystal grown in orbit looks great under a microscope, but the real test is X-ray crystallography. The colors are caused by polarizing filters. Proteins can form crystals generated by rows and columns of molecules that form up like soldiers on a parade ground. Shining X-rays through a crystal will produce a pattern of dots that can be decoded to reveal the arrangement of the atoms in the molecules making up the crystal. Like the troops in formation, uniformity and order are everything in X-ray crystallography. X-rays have much shorter wavelengths than visible light, so the best looking crystals under the microscope won't necessarily pass muster under the X-rays. In order to have crystals to use for X-ray diffraction studies, crystals need to be fairly large and well ordered. Scientists also need lots of crystals since exposure to air, the process of X-raying them, and other factors destroy them. Growing protein crystals in space has yielded striking results. Lysozyme's structure is well known and it has become a standard in many crystallization studies on Earth and in space.

  12. Filter validation.

    PubMed

    Madsen, Russell E

    2006-01-01

    Validation of a sterilizing filtration process is critical since it is impossible with currently available technology to measure the sterility of each filled container; therefore, sterility assurance of the filtered product must be achieved through validation of the filtration process. Validating a pharmaceutical sterile filtration process involves three things: determining the effect of the liquid on the filter, determining the effect of the filter on the liquid, and demonstrating that the filter removes all microorganisms from the liquid under actual processing conditions.

  13. RNA Crystallization

    NASA Technical Reports Server (NTRS)

    Golden, Barbara L.; Kundrot, Craig E.

    2003-01-01

    RNA molecules may be crystallized using variations of the methods developed for protein crystallography. As the technology has become available to syntheisize and purify RNA molecules in the quantities and with the quality that is required for crystallography, the field of RNA structure has exploded. The first consideration when crystallizing an RNA is the sequence, which may be varied in a rational way to enhance crystallizability or prevent formation of alternate structures. Once a sequence has been designed, the RNA may be synthesized chemically by solid-state synthesis, or it may be produced enzymatically using RNA polymerase and an appropriate DNA template. Purification of milligram quantities of RNA can be accomplished by HPLC or gel electrophoresis. As with proteins, crystallization of RNA is usually accomplished by vapor diffusion techniques. There are several considerations that are either unique to RNA crystallization or more important for RNA crystallization. Techniques for design, synthesis, purification, and crystallization of RNAs will be reviewed here.

  14. Protein Crystallization

    NASA Technical Reports Server (NTRS)

    Chernov, Alexander A.

    2005-01-01

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

  15. Computational crystallization.

    PubMed

    Altan, Irem; Charbonneau, Patrick; Snell, Edward H

    2016-07-15

    Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one of trial and error. In this article, efforts in the field are discussed together with a theoretical underpinning using a solubility phase diagram. Prior knowledge has been used to develop tools that computationally predict the crystallization outcome and define mutational approaches that enhance the likelihood of crystallization. For the most part these tools are based on binary outcomes (crystal or no crystal), and the full information contained in an assembly of crystallization screening experiments is lost. The potential of this additional information is illustrated by examples where new biological knowledge can be obtained and where a target can be sub-categorized to predict which class of reagents provides the crystallization driving force. Computational analysis of crystallization requires complete and correctly formatted data. While massive crystallization screening efforts are under way, the data available from many of these studies are sparse. The potential for this data and the steps needed to realize this potential are discussed.

  16. Crystal Data

    National Institute of Standards and Technology Data Gateway

    SRD 3 NIST Crystal Data (PC database for purchase)   NIST Crystal Data contains chemical, physical, and crystallographic information useful to characterize more than 237,671 inorganic and organic crystalline materials. The data include the standard cell parameters, cell volume, space group number and symbol, calculated density, chemical formula, chemical name, and classification by chemical type.

  17. Crystal clear

    NASA Astrophysics Data System (ADS)

    2012-02-01

    A semiconductor is usually opaque to any light whose photon energy is larger than the semiconductor bandgap. Nature Photonics spoke to Stephen Durbin about how to render GaAs semiconductor crystals transparent using intense X-ray pulses.

  18. Surface energies of elemental crystals.

    PubMed

    Tran, Richard; Xu, Zihan; Radhakrishnan, Balachandran; Winston, Donald; Sun, Wenhao; Persson, Kristin A; Ong, Shyue Ping

    2016-09-13

    The surface energy is a fundamental property of the different facets of a crystal that is crucial to the understanding of various phenomena like surface segregation, roughening, catalytic activity, and the crystal's equilibrium shape. Such surface phenomena are especially important at the nanoscale, where the large surface area to volume ratios lead to properties that are significantly different from the bulk. In this work, we present the largest database of calculated surface energies for elemental crystals to date. This database contains the surface energies of more than 100 polymorphs of about 70 elements, up to a maximum Miller index of two and three for non-cubic and cubic crystals, respectively. Well-known reconstruction schemes are also accounted for. The database is systematically improvable and has been rigorously validated against previous experimental and computational data where available. We will describe the methodology used in constructing the database, and how it can be accessed for further studies and design of materials.

  19. Equilibrium Shape of Colloidal Crystals.

    PubMed

    Sehgal, Ray M; Maroudas, Dimitrios

    2015-10-27

    Assembling colloidal particles into highly ordered configurations, such as photonic crystals, has significant potential for enabling a broad range of new technologies. Facilitating the nucleation of colloidal crystals and developing successful crystal growth strategies require a fundamental understanding of the equilibrium structure and morphology of small colloidal assemblies. Here, we report the results of a novel computational approach to determine the equilibrium shape of assemblies of colloidal particles that interact via an experimentally validated pair potential. While the well-known Wulff construction can accurately capture the equilibrium shape of large colloidal assemblies, containing O(10(4)) or more particles, determining the equilibrium shape of small colloidal assemblies of O(10) particles requires a generalized Wulff construction technique which we have developed for a proper description of equilibrium structure and morphology of small crystals. We identify and characterize fully several "magic" clusters which are significantly more stable than other similarly sized clusters.

  20. Liquid Crystals

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Thermochromic liquid crystals, or TLCs, are a type of liquid crystals that react to changes in temperature by changing color. The Hallcrest/NASA collaboration involved development of a new way to visualize boundary layer transition in flight and in wind tunnel testing of aircraft wing and body surfaces. TLCs offered a new and potentially better method of visualizing the boundary layer transition in flight. Hallcrest provided a liquid crystal formulation technique that afforded great control over the sensitivity of the liquid crystals to varying conditions. Method is of great use to industry, government and universities for aerodynamic and hydrodynamic testing. Company's principal line is temperature indicating devices for industrial use, such as non-destructive testing and flaw detection in electric/electronic systems, medical application, such as diagnostic systems, for retail sale, such as room, refrigerator, baby bath and aquarium thermometers, and for advertising and promotion specials. Additionally, Hallcrest manufactures TLC mixtures for cosmetic applications, and liquid crystal battery tester for Duracell batteries.

  1. Alignment validation

    SciTech Connect

    ALICE; ATLAS; CMS; LHCb; Golling, Tobias

    2008-09-06

    The four experiments, ALICE, ATLAS, CMS and LHCb are currently under constructionat CERN. They will study the products of proton-proton collisions at the Large Hadron Collider. All experiments are equipped with sophisticated tracking systems, unprecedented in size and complexity. Full exploitation of both the inner detector andthe muon system requires an accurate alignment of all detector elements. Alignmentinformation is deduced from dedicated hardware alignment systems and the reconstruction of charged particles. However, the system is degenerate which means the data is insufficient to constrain all alignment degrees of freedom, so the techniques are prone to converging on wrong geometries. This deficiency necessitates validation and monitoring of the alignment. An exhaustive discussion of means to validate is subject to this document, including examples and plans from all four LHC experiments, as well as other high energy experiments.

  2. SYMMETRICAL LASER CRYSTALS.

    DTIC Science & Technology

    CRYSTAL GROWTH , SYMMETRY(CRYSTALLOGRAPHY), LASERS, SYNTHESIS, FERROELECTRIC CRYSTALS , FLUORESCENCE, IMPURITIES, BARIUM COMPOUNDS, ZIRCONATES...STRONTIUM COMPOUNDS, TITANATES, STANNATES, SAMARIUM, MANGANESE, REFRACTORY MATERIALS, OXIDES, SINGLE CRYSTALS .

  3. SANSMIC Validation.

    SciTech Connect

    Weber, Paula D.; Rudeen, David Keith; Lord, David L.

    2014-08-01

    SANSMIC is solution mining software that was developed and utilized by SNL in its role as geotechnical advisor to the US DOE SPR for planning purposes. Three SANSMIC leach modes - withdrawal, direct, and reverse leach - have been revalidated with multiple test cases for each mode. The withdrawal mode was validated using high quality data from recent leach activity while the direct and reverse modes utilized data from historical cavern completion reports. Withdrawal results compared very well with observed data, including the location and size of shelves due to string breaks with relative leached volume differences ranging from 6 - 10% and relative radius differences from 1.5 - 3%. Profile comparisons for the direct mode were very good with relative leached volume differences ranging from 6 - 12% and relative radius differences from 5 - 7%. First, second, and third reverse configurations were simulated in order to validate SANSMIC over a range of relative hanging string and OBI locations. The first-reverse was simulated reasonably well with relative leached volume differences ranging from 1 - 9% and relative radius differences from 5 - 12%. The second-reverse mode showed the largest discrepancies in leach profile. Leached volume differences ranged from 8 - 12% and relative radius differences from 1 - 10%. In the third-reverse, relative leached volume differences ranged from 10 - 13% and relative radius differences were %7E4 %. Comparisons to historical reports were quite good, indicating that SANSMIC is essentially the same as documented and validated in the early 1980's.

  4. Therapeutic Crystals

    ERIC Educational Resources Information Center

    Bond, Charles S.

    2014-01-01

    Some readers might not fully know what the difference is between crystallography, and the "new age" practice of dangling crystals around the body to capitalise on their healing energy. The latter is often considered to be superstition, while ironically, the former has actually resulted in real rationally-based healing of human diseases…

  5. Comparing Crystals

    ERIC Educational Resources Information Center

    Sharp, Janet; Hoiberg, Karen; Chumbley, Scott

    2003-01-01

    This standard lesson on identifying salt and sugar crystals expands into an opportunity for students to develop their observation, questioning, and modeling skills. Although sugar and salt may look similar, students discovered that they looked very different under a magnifying glass and behaved differently when dissolved in water. In addition,…

  6. Optical Crystals

    ERIC Educational Resources Information Center

    Bergsten, Ronald

    1974-01-01

    Discusses the production and structure of a sequence of optical crystals which can serve as one-, two-, and three-dimensional diffraction plates to illustrate diffraction patterns by using light rather than x-rays or particles. Applications to qualitative presentations of Laue theory at the secondary and college levels are recommended. (CC)

  7. Gold nanoparticle capture within protein crystal scaffolds

    NASA Astrophysics Data System (ADS)

    Kowalski, Ann E.; Huber, Thaddaus R.; Ni, Thomas W.; Hartje, Luke F.; Appel, Karina L.; Yost, Jarad W.; Ackerson, Christopher J.; Snow, Christopher D.

    2016-06-01

    DNA assemblies have been used to organize inorganic nanoparticles into 3D arrays, with emergent properties arising as a result of nanoparticle spacing and geometry. We report here the use of engineered protein crystals as an alternative approach to biologically mediated assembly of inorganic nanoparticles. The protein crystal's 13 nm diameter pores result in an 80% solvent content and display hexahistidine sequences on their interior. The hexahistidine sequence captures Au25(glutathione)~17 (nitrilotriacetic acid)~1 nanoclusters throughout a chemically crosslinked crystal via the coordination of Ni(ii) to both the cluster and the protein. Nanoparticle loading was validated by confocal microscopy and elemental analysis. The nanoparticles may be released from the crystal by exposure to EDTA, which chelates the Ni(ii) and breaks the specific protein/nanoparticle interaction. The integrity of the protein crystals after crosslinking and nanoparticle capture was confirmed by single crystal X-ray crystallography.DNA assemblies have been used to organize inorganic nanoparticles into 3D arrays, with emergent properties arising as a result of nanoparticle spacing and geometry. We report here the use of engineered protein crystals as an alternative approach to biologically mediated assembly of inorganic nanoparticles. The protein crystal's 13 nm diameter pores result in an 80% solvent content and display hexahistidine sequences on their interior. The hexahistidine sequence captures Au25(glutathione)~17 (nitrilotriacetic acid)~1 nanoclusters throughout a chemically crosslinked crystal via the coordination of Ni(ii) to both the cluster and the protein. Nanoparticle loading was validated by confocal microscopy and elemental analysis. The nanoparticles may be released from the crystal by exposure to EDTA, which chelates the Ni(ii) and breaks the specific protein/nanoparticle interaction. The integrity of the protein crystals after crosslinking and nanoparticle capture was

  8. Surface energies of elemental crystals

    NASA Astrophysics Data System (ADS)

    Tran, Richard; Xu, Zihan; Radhakrishnan, Balachandran; Winston, Donald; Sun, Wenhao; Persson, Kristin A.; Ong, Shyue Ping

    2016-09-01

    The surface energy is a fundamental property of the different facets of a crystal that is crucial to the understanding of various phenomena like surface segregation, roughening, catalytic activity, and the crystal’s equilibrium shape. Such surface phenomena are especially important at the nanoscale, where the large surface area to volume ratios lead to properties that are significantly different from the bulk. In this work, we present the largest database of calculated surface energies for elemental crystals to date. This database contains the surface energies of more than 100 polymorphs of about 70 elements, up to a maximum Miller index of two and three for non-cubic and cubic crystals, respectively. Well-known reconstruction schemes are also accounted for. The database is systematically improvable and has been rigorously validated against previous experimental and computational data where available. We will describe the methodology used in constructing the database, and how it can be accessed for further studies and design of materials.

  9. Crystallization of struvite from metastable region with different types of seed crystal

    NASA Astrophysics Data System (ADS)

    Ali, Imtiaj; Schneider, Phil Andrew

    2005-05-01

    The main feature of this paper was to recognize struvite crystallization in the metastable region of supersaturation. Thermodynamic equilibria of struvite were simulated to identify the minimum struvite solubility limit, thereafter validated by existing thermodynamic modelling packages such as PHREEQC and the derived data from existing struvite solubility curve. Using laser light scattering detection, spontaneous nucleation was identified by the slow increase of pH in a supersaturated solution of struvite. The crystallization experiment, conducted close to the saturation region in metastable zone, initiated struvite growth. The conducted experiment showed that mother crystal (struvite) was more effective as seeds for struvite crystallization.

  10. Search for long-lived superheavy eka-tungsten with radiopure ZnWO4 crystal scintillator

    NASA Astrophysics Data System (ADS)

    Belli, P.; Bernabei, R.; Cappella, F.; Cerulli, R.; Danevich, F. A.; Denisov, V. Yu; d'Angelo, A.; Incicchitti, A.; Kobychev, V. V.; Poda, D. V.; Polischuk, O. G.; Tretyak, V. I.

    2015-08-01

    The data collected with a radioactively pure ZnWO4 crystal scintillator (699 g) in low background measurements during 2130 h at the underground (3600 m w.e.) Laboratori Nazionali del Gran Sasso (INFN, Italy) were used to set a limit on possible concentration of superheavy eka-W (seaborgium Sg, Z = 106) in the crystal. Assuming that one of the daughters in a chain of decays of the initial Sg nucleus decays with emission of high energy α particle ({{Q}α }\\gt 8 MeV) and analyzing the high energy part of the measured α spectrum, the limit N(Sg)/N(W) \\lt 5.5× {{10}-14} atoms/atom at 90% C.L. was obtained (for Sg half-life of 109 yr). In addition, a limit on the concentration of eka-Bi was set by analysing the data collected with a large BGO scintillation bolometer in an experiment performed by another group (Cardani et al 2012 JINST 7 P10022): N(eka-Bi)/N(Bi) \\lt 1.1× {{10}-13} atoms/atom with 90% C.L. Both the limits are comparable with those obtained in recent experiments which instead look for spontaneous fission of superheavy elements or use the accelerator mass spectrometry.

  11. From Construct Validity to Theory Validation

    ERIC Educational Resources Information Center

    Haig, Brian D.

    2012-01-01

    Lee Cronbach once expressed the view that all roads lead to construct validity. In looking to clarify the consensus definition of validity, and its place in assessment, Newton is also led to the troublesome idea of construct validity. To be sure, he addresses other validity issues, but in this commentary, I will restrict my attention to construct…

  12. Biological Macromolecule Crystallization Database

    National Institute of Standards and Technology Data Gateway

    SRD 21 Biological Macromolecule Crystallization Database (Web, free access)   The Biological Macromolecule Crystallization Database and NASA Archive for Protein Crystal Growth Data (BMCD) contains the conditions reported for the crystallization of proteins and nucleic acids used in X-ray structure determinations and archives the results of microgravity macromolecule crystallization studies.

  13. Synthesis and crystal structure elucidation of new copper(II)-based chemotherapeutic agent coupled with 1,2-DACH and orthovanillin: Validated by in vitro DNA/HSA binding profile and pBR322 cleavage pathway.

    PubMed

    Zaki, Mehvash; Afzal, Mohd; Ahmad, Musheer; Tabassum, Sartaj

    2016-08-01

    New copper(II)-based complex (1) was synthesized and characterized by analytical, spectroscopic and single crystal X-ray diffraction. The in vitro binding studies of complex 1 with CT DNA and HSA have been investigated by employing biophysical techniques to examine the binding propensity of 1 towards DNA and HSA. The results showed that 1 avidly binds to CT DNA via electrostatic mode along with the hydrogen bonding interaction of NH2 and CN groups of Schiff base ligand with the base pairs of DNA helix, leads to partial unwinding and destabilization of the DNA double helix. Moreover, the CD spectral studies revealed that complex 1 binds through groove binding interaction that stabilizes the right-handed B-form of DNA. Complex 1 showed an impressive photoinduced nuclease activity generating single-strand breaks in comparison with the DNA cleavage activity in presence of visible light. The mechanistic investigation revealed the efficiency of 1 to cleave DNA strands by involving the generation of reactive oxygen species. Furthermore, the time dependent DNA cleavage activity showed that there was gradual increase in the amount of NC DNA on increasing the photoexposure time. However, the interaction of 1 and HSA showed that the change of intrinsic fluorescence intensity of HSA was induced by the microenvironment of Trp residue.

  14. The dependence of the measurement of crystal growth on the state of crystal aggregation: implications for urolithiasis research

    NASA Astrophysics Data System (ADS)

    Ryall, Rosemary L.; Ryall, Richard G.; Doyle, Ian R.; Marshall, Villis R.

    1993-10-01

    Two different methods for the analysis of data produced by a Coulter counter were used to obtain rates of calcium oxalate crystal growth and aggregation occuring in a seeded crystallization system: (1) crystal growth was expressed as the increase in crystal volume, and aggregation as the decrease in crystal numbers observed by the Coulter counter; (2) crystal growth was expressed as the linear increase in crystal diameter, calculated using a computer model which, when calculating extents of aggregation, takes account of any crystals moving into and out of the field of view of the instrument. Data from experiments using different concentrations of seed crystal were analysed by these two methods. Expressing crystal growth as the increase in volume showed growth rates to be directly proportional to the total surface of seed crystals present, while expressing the same growth as the linear increase in crystal diameter showed growth rates to be independent of this variable. This difference in expression of experimental data became important when urine was included in the experimental system, and varying degrees of crystal aggregation affected the amount of surface area available for crystal growth. Expressing growth as the increase in crystal volume, and aggregation as the uncorrected decrease in crystal number, resulted in overestimation of inhibitory activities of urine towards crystal growth and aggregation by 60% and 40%, respectively. Calculation of crystal growth rates from the linear increase in crystal diameter, and aggregation rates from data corrected for the crystals moving through the field of view of the particle counter, are essential for the valid interpretation of such data.

  15. Design of an expression system to enhance MBP-mediated crystallization

    PubMed Central

    Jin, Tengchuan; Chuenchor, Watchalee; Jiang, Jiansheng; Cheng, Jinbo; Li, Yajuan; Fang, Kang; Huang, Mo; Smith, Patrick; Xiao, Tsan Sam

    2017-01-01

    Crystallization chaperones have been used to facilitate the crystallization of challenging proteins. Even though the maltose-binding protein (MBP) is one of the most commonly used crystallization chaperones, the design of optimal expression constructs for crystallization of MBP fusion proteins remains a challenge. To increase the success rate of MBP-facilitated crystallization, a series of expression vectors have been designed with either a short flexible linker or a set of rigid helical linkers. Seven death domain superfamily members were tested for crystallization with this set of vectors, six of which had never been crystallized before. All of the seven targets were crystallized, and their structures were determined using at least one of the vectors. Our successful crystallization of all of the targets demonstrates the validity of our approach and expands the arsenal of the crystallization chaperone toolkit, which may be applicable to crystallization of other difficult protein targets, as well as to other crystallization chaperones. PMID:28112203

  16. Crystallization process

    DOEpatents

    Adler, Robert J.; Brown, William R.; Auyang, Lun; Liu, Yin-Chang; Cook, W. Jeffrey

    1986-01-01

    An improved crystallization process is disclosed for separating a crystallizable material and an excluded material which is at least partially excluded from the solid phase of the crystallizable material obtained upon freezing a liquid phase of the materials. The solid phase is more dense than the liquid phase, and it is separated therefrom by relative movement with the formation of a packed bed of solid phase. The packed bed is continuously formed adjacent its lower end and passed from the liquid phase into a countercurrent flow of backwash liquid. The packed bed extends through the level of the backwash liquid to provide a drained bed of solid phase adjacent its upper end which is melted by a condensing vapor.

  17. Stress Tuning of Laser Crystals

    NASA Technical Reports Server (NTRS)

    Carty, Atherton A.

    1995-01-01

    The topic of stress tunable laser crystals is addressed in this study with the purpose of determining the piezo-optic coefficients of a new laser material. This data was collected using a quadruple pass birefringence technique because of its high degree of sensitivity relative to the other methods examined including fringe shift analysis using a Mach-Zender interferometer. A green He-Ne laser was passed through a light chopper and Glan-Thompson prism before entering a crystal of Erbium doped Yttrium Aluminum Garnet (Er:YAG) (used in order to validate the experimental technique). The Er:YAG crystal is mounted in a press mechanism and the laser is quadruple passed through test specimen before being returned through the prism and the orthogonally polarized portion of the beam measured with a optical sensor. At a later stage, the Er:YAG crystal was replaced with a new crystal in order to determine the piezo-optic coefficients of this uncharacterized material. The applied load was monitored with the use of a 50 lb. load cell placed in line with the press. Light transmission readings were taken using a lock-in amplifier while load cell measurements were taken with a voltmeter from a 5 volt, 0.5 amp power supply. Despite the fact that an effective crystal press damping system was developed, size limitations precluded the use of the complete system. For this reason, data points were taken only once per full turn so as to minimize the effect of non uniform load application on the collected data. Good correlation was found in the transmission data between the experimentally determined Er:YAG and the previously known peizo-optic constants of non-doped crystal with which it was compared. The variation which was found between the two could be accounted for by the aforementioned presence of Erbium in the experimental sample (for which exact empirical data was not known). The same test procedure was then carried out on a Yttrium Gallium Aluminum garnet (YGAG) for the purpose of

  18. Liquid Crystal Devices.

    ERIC Educational Resources Information Center

    Bradshaw, Madeline J.

    1983-01-01

    The nature of liquid crystals and several important liquid crystal devices are described. Ideas for practical experiments to illustrate the properties of liquid crystals and their operation in devices are also described. (Author/JN)

  19. Liquid Crystal Inquiries.

    ERIC Educational Resources Information Center

    Marroum, Renata-Maria

    1996-01-01

    Discusses the properties and classification of liquid crystals. Presents a simple experiment that illustrates the structure of liquid crystals and the differences between the various phases liquid crystals can assume. (JRH)

  20. PARAMAGNETIC RELAXATION IN CRYSTALS.

    DTIC Science & Technology

    CRYSTALS, PARAMAGNETIC RESONANCE, RELAXATION TIME , CRYSTAL DEFECTS, QUARTZ, GLASS, STRAIN(MECHANICS), TEMPERATURE, NUCLEAR SPINS, HYDROGEN, CALCIUM COMPOUNDS, FLUORIDES, COLOR CENTERS, PHONONS, OXYGEN.

  1. Using Inorganic Crystals To Grow Protein Crystals

    NASA Technical Reports Server (NTRS)

    Shlichta, Paul J.; Mcpherson, Alexander A.

    1989-01-01

    Solid materials serve as nucleating agents. Protein crystals induced by heterogeneous nucleation and in some cases by epitaxy to grow at lower supersaturations than needed for spontaneous nucleation. Heterogeneous nucleation makes possible to grow large, defect-free single crystals of protein more readily. Such protein crystals benefits research in biochemistry and pharmacology.

  2. Laser-induced crystallization and crystal growth.

    PubMed

    Sugiyama, Teruki; Masuhara, Hiroshi

    2011-11-04

    Recent streams of laser studies on crystallization and crystal growth are summarized and reviewed. Femtosecond multiphoton excitation of solutions leads to their ablation at the focal point, inducing local bubble formation, shockwave propagation, and convection flow. This phenomenon, called "laser micro tsunami" makes it possible to trigger crystallization of molecules and proteins from their supersaturated solutions. Femtosecond laser ablation of a urea crystal in solution triggers the additional growth of a single daughter crystal. Intense continuous wave (CW) near infrared laser irradiation at the air/solution interface of heavy-water amino acid solutions results in trapping of the clusters and evolves to crystallization. A single crystal is always prepared in a spatially and temporally controlled manner, and the crystal polymorph of glycine depends on laser power, polarization, and solution concentration. Upon irradiation at the glass/solution interface, a millimeter-sized droplet is formed, and a single crystal is formed by shifting the irradiation position to the surface. Directional and selective crystal growth is also possible with laser trapping. Finally, characteristics of laser-induced crystallization and crystal growth are summarized.

  3. Weak crystallization theory of metallic alloys

    NASA Astrophysics Data System (ADS)

    Martin, Ivar; Gopalakrishnan, Sarang; Demler, Eugene A.

    2016-06-01

    Crystallization is one of the most familiar, but hardest to analyze, phase transitions. The principal reason is that crystallization typically occurs via a strongly first-order phase transition, and thus rigorous treatment would require comparing energies of an infinite number of possible crystalline states with the energy of liquid. A great simplification occurs when crystallization transition happens to be weakly first order. In this case, weak crystallization theory, based on unbiased Ginzburg-Landau expansion, can be applied. Even beyond its strict range of validity, it has been a useful qualitative tool for understanding crystallization. In its standard form, however, weak crystallization theory cannot explain the existence of a majority of observed crystalline and quasicrystalline states. Here we extend the weak crystallization theory to the case of metallic alloys. We identify a singular effect of itinerant electrons on the form of weak crystallization free energy. It is geometric in nature, generating strong dependence of free energy on the angles between ordering wave vectors of ionic density. That leads to stabilization of fcc, rhombohedral, and icosahedral quasicrystalline (iQC) phases, which are absent in the generic theory with only local interactions. As an application, we find the condition for stability of iQC that is consistent with the Hume-Rothery rules known empirically for the majority of stable iQC; namely, the length of the primary Bragg-peak wave vector is approximately equal to the diameter of the Fermi sphere.

  4. Ultrasonic attenuation in molecular crystals

    NASA Astrophysics Data System (ADS)

    Perrin, Bernard

    1981-11-01

    It is now well established from an experimental point of view that, concerning the ultrasonic attenuation, molecular crystals exhibit a specific behavior among dielectric crystals. This fact suggests the presence of a relaxation process. Liebermann, who has introduced this field, has proposed a way to analyze this problem and in particular has given an expression for the ultrasonic absorption coefficient in terms of a relaxation time and some thermodynamic quantities. In contrast to Liebermann's approach, a solid-state viewpoint is presented here, and it is shown that this ultrasonic relaxation can be taken into account in the framework of Akhieser's theory. A general expression of the ultrasonic absorption coefficient is calculated in terms of the phonon collision operator using the Boltzmann-equation approach of Woodruff and Ehrenreich. The collision-time approximation widely used in dielectric crystals fails in molecular crystals for which the presence of slow relaxation times in the collision operator prevents the thermalization of the whole set of phonons and gives rise to an ultrasonic relaxation. Thus a more suitable approximation is suggested here, which leads to a new expression of the ultrasonic attenuation valid in molecular crystals. Different forms of this expression are discussed, and comparison with Liebermann's expression used in most of the previous papers shows that the present treatment takes better account of the anisotropy of the solid state. The fit of experimental results obtained for some ionic-molecular crystals also shows that the expression derived here gives better agreement than does Liebermann's. Finally, it is shown that in the framework of the present treatment and under rather general conditions, the anisotropy affects primarily the magnitude of the ultrasonic absorption due to the molecular relaxation, but it does not affect its frequency dependence.

  5. The crystal structure and crystal chemistry of fernandinite and corvusite

    USGS Publications Warehouse

    Evans, H.T.; Post, J.E.; Ross, D.R.; Nelen, J.A.

    1994-01-01

    Using type material of fernandinite from Minasragra, Peru, and corvusite from the Jack Claim, La Sal Mountains, Utah, the properties and crystal chemistry of these minerals have been determined by Rietveld analysis of the powder X-ray-diffraction patterns. The crystal structure of both species is isotypic with the V2O5 -type layer first found for ??-Ag0.68V2O5; it consists of chains of VO6 octahedra linked by opposite corners (parallel to b) condensed by edge-sharing to form the layer. The vanadium has average valence 4.8, and the resulting layer-charge is balanced by varying amounts of Ca, Na, and K in the interlayer region accompanied by labile water. This study has confirmed the validity of fernandinite as a unique mineral species. It is closely related to corvusite, from which it is distinguished on the basis of the dominant interlayer cation: Ca for fernandinite, Na for curvusite. -Authors

  6. Molecular tectonics: from crystals to crystals of crystals.

    PubMed

    Marinescu, Gabriela; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais

    2013-12-11

    The in situ combination of M(II) cations (Co, Ni, Cu or Zn) with 2,4,6-pyridinetricarboxylic acid as a ligand, a bisamidinium dication as a H-bond donor tecton and NaOH leads to the formation of anionic metal complexes ML2(2-) and their interconnection into isomorphous 3D H-bonded networks displaying different colours which were used as preformed seed crystals for the formation of crystals of crystals by 3D epitaxial growth.

  7. Drilling technique for crystals

    NASA Technical Reports Server (NTRS)

    Hunter, T.; Miyagawa, I.

    1977-01-01

    Hole-drilling technique uses special crystal driller in which drill bit rotates at fixed position at speed of 30 rpm while crystal slowly advances toward drill. Technique has been successfully applied to crystal of Rochell salt, Triglycine sulfate, and N-acetyglycine. Technique limits heat buildup and reduces strain on crystal.

  8. Mixed crystal organic scintillators

    DOEpatents

    Zaitseva, Natalia P; Carman, M Leslie; Glenn, Andrew M; Hamel, Sebastien; Hatarik, Robert; Payne, Stephen A; Stoeffl, Wolfgang

    2014-09-16

    A mixed organic crystal according to one embodiment includes a single mixed crystal having two compounds with different bandgap energies, the organic crystal having a physical property of exhibiting a signal response signature for neutrons from a radioactive source, wherein the signal response signature does not include a significantly-delayed luminescence characteristic of neutrons interacting with the organic crystal relative to a luminescence characteristic of gamma rays interacting with the organic crystal. According to one embodiment, an organic crystal includes bibenzyl and stilbene or a stilbene derivative, the organic crystal having a physical property of exhibiting a signal response signature for neutrons from a radioactive source.

  9. Crystal structure refinement with SHELXL.

    PubMed

    Sheldrick, George M

    2015-01-01

    The improvements in the crystal structure refinement program SHELXL have been closely coupled with the development and increasing importance of the CIF (Crystallographic Information Framework) format for validating and archiving crystal structures. An important simplification is that now only one file in CIF format (for convenience, referred to simply as `a CIF') containing embedded reflection data and SHELXL instructions is needed for a complete structure archive; the program SHREDCIF can be used to extract the .hkl and .ins files required for further refinement with SHELXL. Recent developments in SHELXL facilitate refinement against neutron diffraction data, the treatment of H atoms, the determination of absolute structure, the input of partial structure factors and the refinement of twinned and disordered structures. SHELXL is available free to academics for the Windows, Linux and Mac OS X operating systems, and is particularly suitable for multiple-core processors.

  10. Crystal structure refinement with SHELXL

    SciTech Connect

    Sheldrick, George M.

    2015-01-01

    New features added to the refinement program SHELXL since 2008 are described and explained. The improvements in the crystal structure refinement program SHELXL have been closely coupled with the development and increasing importance of the CIF (Crystallographic Information Framework) format for validating and archiving crystal structures. An important simplification is that now only one file in CIF format (for convenience, referred to simply as ‘a CIF’) containing embedded reflection data and SHELXL instructions is needed for a complete structure archive; the program SHREDCIF can be used to extract the .hkl and .ins files required for further refinement with SHELXL. Recent developments in SHELXL facilitate refinement against neutron diffraction data, the treatment of H atoms, the determination of absolute structure, the input of partial structure factors and the refinement of twinned and disordered structures. SHELXL is available free to academics for the Windows, Linux and Mac OS X operating systems, and is particularly suitable for multiple-core processors.

  11. Automating the application of smart materials for protein crystallization

    SciTech Connect

    Khurshid, Sahir; Govada, Lata; EL-Sharif, Hazim F.; Reddy, Subrayal M.; Chayen, Naomi E.

    2015-03-01

    The first semi-liquid, non-protein nucleating agent for automated protein crystallization trials is described. This ‘smart material’ is demonstrated to induce crystal growth and will provide a simple, cost-effective tool for scientists in academia and industry. The fabrication and validation of the first semi-liquid nonprotein nucleating agent to be administered automatically to crystallization trials is reported. This research builds upon prior demonstration of the suitability of molecularly imprinted polymers (MIPs; known as ‘smart materials’) for inducing protein crystal growth. Modified MIPs of altered texture suitable for high-throughput trials are demonstrated to improve crystal quality and to increase the probability of success when screening for suitable crystallization conditions. The application of these materials is simple, time-efficient and will provide a potent tool for structural biologists embarking on crystallization trials.

  12. Mathematical Simulation of the Crystallization Process in a Continuous Linear Crystallizer

    NASA Astrophysics Data System (ADS)

    Veselov, S. N.; Volk, V. I.; Kashcheev, V. A.; Podymova, T. V.; Posenitskiy, E. A.

    2017-01-01

    A mathematical model of the crystallization of uranium in a continuous linear crystallizer, designed for the crystallization separation of desired products in the processing of an irradiated nuclear fuel, is proposed. This model defines the dynamics of growth/dissolution of uranyl nitrate hexahydrate crystals in a nitric acid solution of uranyl nitrate. Results of a numerical simulation of the indicated process, pointing to the existence of stationary conditions in the working space of the crystallizer, are presented. On the basis of these results, the characteristic time of establishment of the stationary regime at different parameters of the process was estimated. The mathematical model proposed was validated on the basis of a comparison of the results of calculations carried out within its framework with experimental data.

  13. Pressure cryocooling protein crystals

    DOEpatents

    Kim, Chae Un; Gruner, Sol M.

    2011-10-04

    Preparation of cryocooled protein crystal is provided by use of helium pressurizing and cryocooling to obtain cryocooled protein crystal allowing collection of high resolution data and by heavier noble gas (krypton or xenon) binding followed by helium pressurizing and cryocooling to obtain cryocooled protein crystal for collection of high resolution data and SAD phasing simultaneously. The helium pressurizing is carried out on crystal coated to prevent dehydration or on crystal grown in aqueous solution in a capillary.

  14. Agreeing on Validity Arguments

    ERIC Educational Resources Information Center

    Sireci, Stephen G.

    2013-01-01

    Kane (this issue) presents a comprehensive review of validity theory and reminds us that the focus of validation is on test score interpretations and use. In reacting to his article, I support the argument-based approach to validity and all of the major points regarding validation made by Dr. Kane. In addition, I call for a simpler, three-step…

  15. CRYSTALLIZATION IN MULTICOMPONENT GLASSES

    SciTech Connect

    KRUGER AA; HRMA PR

    2009-10-08

    In glass processing situations involving glass crystallization, various crystalline forms nucleate, grow, and dissolve, typically in a nonuniform temperature field of molten glass subjected to convection. Nuclear waste glasses are remarkable examples of multicomponent vitrified mixtures involving partial crystallization. In the glass melter, crystals form and dissolve during batch-to-glass conversion, melter processing, and product cooling. Crystals often agglomerate and sink, and they may settle at the melter bottom. Within the body of cooling glass, multiple phases crystallize in a non-uniform time-dependent temperature field. Self-organizing periodic distribution (the Liesegnang effect) is common. Various crystallization phenomena that occur in glass making are reviewed.

  16. Do protein crystals nucleate within dense liquid clusters?

    PubMed

    Maes, Dominique; Vorontsova, Maria A; Potenza, Marco A C; Sanvito, Tiziano; Sleutel, Mike; Giglio, Marzio; Vekilov, Peter G

    2015-07-01

    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(-3) of the solution. According to the two-step mechanism of nucleation, the protein-rich clusters 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.

  17. Apparatus for growing crystals

    NASA Technical Reports Server (NTRS)

    Jasinski, Thomas J. (Inventor); Witt, August F. (Inventor)

    1986-01-01

    An improved apparatus and method for growing crystals from a melt employing a heat pipe, consisting of one or more sections, each section serving to control temperature and thermal gradients in the crystal as it forms inside the pipe.

  18. Crystal structure and prediction.

    PubMed

    Thakur, Tejender S; Dubey, Ritesh; Desiraju, Gautam R

    2015-04-01

    The notion of structure is central to the subject of chemistry. This review traces the development of the idea of crystal structure since the time when a crystal structure could be determined from a three-dimensional diffraction pattern and assesses the feasibility of computationally predicting an unknown crystal structure of a given molecule. Crystal structure prediction is of considerable fundamental and applied importance, and its successful execution is by no means a solved problem. The ease of crystal structure determination today has resulted in the availability of large numbers of crystal structures of higher-energy polymorphs and pseudopolymorphs. These structural libraries lead to the concept of a crystal structure landscape. A crystal structure of a compound may accordingly be taken as a data point in such a landscape.

  19. Growth of dopamine crystals

    NASA Astrophysics Data System (ADS)

    Patil, Vidya; Patki, Mugdha

    2016-05-01

    Many nonlinear optical (NLO) crystals have been identified as potential candidates in optical and electro-optical devices. Use of NLO organic crystals is expected in photonic applications. Hence organic nonlinear optical materials have been intensely investigated due to their potentially high nonlinearities, and rapid response in electro-optic effect compared to inorganic NLO materials. There are many methods to grow organic crystals such as vapor growth method, melt growth method and solution growth method. Out of these methods, solution growth method is useful in providing constraint free crystal. Single crystals of Dopamine have been grown by evaporating the solvents from aqueous solution. Crystals obtained were of the size of orders of mm. The crystal structure of dopamine was determined using XRD technique. Images of crystals were obtained using FEG SEM Quanta Series under high vacuum and low KV.

  20. Crystal Structure and Prediction

    NASA Astrophysics Data System (ADS)

    Thakur, Tejender S.; Dubey, Ritesh; Desiraju, Gautam R.

    2015-04-01

    The notion of structure is central to the subject of chemistry. This review traces the development of the idea of crystal structure since the time when a crystal structure could be determined from a three-dimensional diffraction pattern and assesses the feasibility of computationally predicting an unknown crystal structure of a given molecule. Crystal structure prediction is of considerable fundamental and applied importance, and its successful execution is by no means a solved problem. The ease of crystal structure determination today has resulted in the availability of large numbers of crystal structures of higher-energy polymorphs and pseudopolymorphs. These structural libraries lead to the concept of a crystal structure landscape. A crystal structure of a compound may accordingly be taken as a data point in such a landscape.

  1. Crystallization Pathways in Biomineralization

    NASA Astrophysics Data System (ADS)

    Weiner, Steve; Addadi, Lia

    2011-08-01

    A crystallization pathway describes the movement of ions from their source to the final product. Cells are intimately involved in biological crystallization pathways. In many pathways the cells utilize a unique strategy: They temporarily concentrate ions in intracellular membrane-bound vesicles in the form of a highly disordered solid phase. This phase is then transported to the final mineralization site, where it is destabilized and crystallizes. We present four case studies, each of which demonstrates specific aspects of biological crystallization pathways: seawater uptake by foraminifera, calcite spicule formation by sea urchin larvae, goethite formation in the teeth of limpets, and guanine crystal formation in fish skin and spider cuticles. Three representative crystallization pathways are described, and aspects of the different stages of crystallization are discussed. An in-depth understanding of these complex processes can lead to new ideas for synthetic crystallization processes of interest to materials science.

  2. Apparatus for mounting crystal

    DOEpatents

    Longeway, Paul A.

    1985-01-01

    A thickness monitor useful in deposition or etching reactor systems comprising a crystal-controlled oscillator in which the crystal is deposited or etched to change the frequency of the oscillator. The crystal rests within a thermally conductive metallic housing and arranged to be temperature controlled. Electrode contacts are made to the surface primarily by gravity force such that the crystal is substantially free of stress otherwise induced by high temperature.

  3. Photonic Crystal Fibers

    DTIC Science & Technology

    2005-12-01

    passive and active versions of each fiber designed under this task. Crystal Fibre shall provide characteristics of the fiber fabricated to include core...passive version of multicore fiber iteration 2. 15. SUBJECT TERMS EOARD, Laser physics, Fibre Lasers, Photonic Crystal, Multicore, Fiber Laser 16...9 00* 0 " CRYSTAL FIBRE INT ODUCTION This report describes the photonic crystal fibers developed under agreement No FA8655-o5-a- 3046. All

  4. CRYSTAL FILTER TEST SET

    DTIC Science & Technology

    CRYSTAL FILTERS, *HIGH FREQUENCY, *RADIOFREQUENCY FILTERS, AMPLIFIERS, ELECTRIC POTENTIAL, FREQUENCY, IMPEDANCE MATCHING , INSTRUMENTATION, RADIOFREQUENCY, RADIOFREQUENCY AMPLIFIERS, TEST EQUIPMENT, TEST METHODS

  5. Crystallization from Gels

    NASA Astrophysics Data System (ADS)

    Narayana Kalkura, S.; Natarajan, Subramanian

    Among the various crystallization techniques, crystallization in gels has found wide applications in the fields of biomineralization and macromolecular crystallization in addition to crystallizing materials having nonlinear optical, ferroelectric, ferromagnetic, and other properties. Furthermore, by using this method it is possible to grow single crystals with very high perfection that are difficult to grow by other techniques. The gel method of crystallization provides an ideal technique to study crystal deposition diseases, which could lead to better understanding of their etiology. This chapter focuses on crystallization in gels of compounds that are responsible for crystal deposition diseases. The introduction is followed by a description of the various gels used, the mechanism of gelling, and the fascinating phenomenon of Liesegang ring formation, along with various gel growth techniques. The importance and scope of study on crystal deposition diseases and the need for crystal growth experiments using gel media are stressed. The various crystal deposition diseases, viz. (1) urolithiasis, (2) gout or arthritis, (3) cholelithiasis and atherosclerosis, and (4) pancreatitis and details regarding the constituents of the crystal deposits responsible for the pathological mineralization are discussed. Brief accounts of the theories of the formation of urinary stones and gallstones and the role of trace elements in urinary stone formation are also given. The crystallization in gels of (1) the urinary stone constituents, viz. calcium oxalate, calcium phosphates, uric acid, cystine, etc., (2) the constituents of the gallstones, viz. cholesterol, calcium carbonate, etc., (3) the major constituent of the pancreatic calculi, viz., calcium carbonate, and (4) cholic acid, a steroidal hormone are presented. The effect of various organic and inorganic ions, trace elements, and extracts from cereals, herbs, and fruits on the crystallization of major urinary stone and gallstone

  6. Surface energies of elemental crystals

    PubMed Central

    Tran, Richard; Xu, Zihan; Radhakrishnan, Balachandran; Winston, Donald; Sun, Wenhao; Persson, Kristin A.; Ong, Shyue Ping

    2016-01-01

    The surface energy is a fundamental property of the different facets of a crystal that is crucial to the understanding of various phenomena like surface segregation, roughening, catalytic activity, and the crystal’s equilibrium shape. Such surface phenomena are especially important at the nanoscale, where the large surface area to volume ratios lead to properties that are significantly different from the bulk. In this work, we present the largest database of calculated surface energies for elemental crystals to date. This database contains the surface energies of more than 100 polymorphs of about 70 elements, up to a maximum Miller index of two and three for non-cubic and cubic crystals, respectively. Well-known reconstruction schemes are also accounted for. The database is systematically improvable and has been rigorously validated against previous experimental and computational data where available. We will describe the methodology used in constructing the database, and how it can be accessed for further studies and design of materials. PMID:27622853

  7. Food Crystalization and Eggs

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Food Crystalization and Eggs Deana R. Jones, Ph.D. USDA Agricultural Research Service Egg Safety and Quality Research Unit Athens, Georgia, USA Deana.Jones@ars.usda.gov Sugar, salt, lactose, tartaric acid and ice are examples of constituents than can crystallize in foods. Crystallization in a foo...

  8. Artistic Crystal Creations

    ERIC Educational Resources Information Center

    Lange, Catherine

    2008-01-01

    In this inquiry-based, integrative art and science activity, Grade 5-8 students use multicolored Epsom salt (magnesium sulfate) crystallizing solutions to reveal beautiful, cylindrical, 3-dimensional, needle-shaped structures. Through observations of the crystal art, students analyze factors that contribute to crystal size and formation, compare…

  9. Annealing macromolecular crystals.

    PubMed

    Hanson, B Leif; Bunick, Gerard J

    2007-01-01

    The process of crystal annealing has been used to improve the quality of diffraction from crystals that would otherwise be discarded for displaying unsatisfactory diffraction after flash cooling. Although techniques and protocols vary, macromolecular crystals are annealed by warming the flash-cooled crystal, then flash cooling it again. To apply macromolecular crystal annealing, a flash-cooled crystal displaying unacceptably high mosaicity or diffraction from ice is removed from the goniometer and immediately placed in cryoprotectant buffer. The crystal is incubated in the buffer at either room temperature or the temperature at which the crystal was grown. After about 3 min, the crystal is remounted in the loop and flash cooled. In situ annealing techniques, where the cold stream is diverted and the crystal allowed to warm on the loop prior to flash cooling, are variations of annealing that appears to work best when large solvent channels are not present in the crystal lattice or the solvent content of the crystal is relatively low.

  10. Protein Crystal Based Nanomaterials

    NASA Technical Reports Server (NTRS)

    Bell, Jeffrey A.; VanRoey, Patrick

    2001-01-01

    This is the final report on a NASA Grant. It concerns a description of work done, which includes: (1) Protein crystals cross-linked to form fibers; (2) Engineering of protein to favor crystallization; (3) Better knowledge-based potentials for protein-protein contacts; (4) Simulation of protein crystallization.

  11. The solvent component of macromolecular crystals

    SciTech Connect

    Weichenberger, Christian X.; Kantardjieff, Katherine; Rupp, Bernhard

    2015-04-30

    On average, the mother liquor or solvent and its constituents occupy about 50% of a macromolecular crystal. Ordered as well as disordered solvent components need to be accurately accounted for in modelling and refinement, often with considerable complexity. The mother liquor from which a biomolecular crystal is grown will contain water, buffer molecules, native ligands and cofactors, crystallization precipitants and additives, various metal ions, and often small-molecule ligands or inhibitors. On average, about half the volume of a biomolecular crystal consists of this mother liquor, whose components form the disordered bulk solvent. Its scattering contributions can be exploited in initial phasing and must be included in crystal structure refinement as a bulk-solvent model. Concomitantly, distinct electron density originating from ordered solvent components must be correctly identified and represented as part of the atomic crystal structure model. Herein, are reviewed (i) probabilistic bulk-solvent content estimates, (ii) the use of bulk-solvent density modification in phase improvement, (iii) bulk-solvent models and refinement of bulk-solvent contributions and (iv) modelling and validation of ordered solvent constituents. A brief summary is provided of current tools for bulk-solvent analysis and refinement, as well as of modelling, refinement and analysis of ordered solvent components, including small-molecule ligands.

  12. Protein crystallization with paper

    NASA Astrophysics Data System (ADS)

    Matsuoka, Miki; Kakinouchi, Keisuke; Adachi, Hiroaki; Maruyama, Mihoko; Sugiyama, Shigeru; Sano, Satoshi; Yoshikawa, Hiroshi Y.; Takahashi, Yoshinori; Yoshimura, Masashi; Matsumura, Hiroyoshi; Murakami, Satoshi; Inoue, Tsuyoshi; Mori, Yusuke; Takano, Kazufumi

    2016-05-01

    We developed a new protein crystallization method that incorporates paper. A small piece of paper, such as facial tissue or KimWipes, was added to a drop of protein solution in the traditional sitting drop vapor diffusion technique, and protein crystals grew by incorporating paper. By this method, we achieved the growth of protein crystals with reducing osmotic shock. Because the technique is very simple and the materials are easy to obtain, this method will come into wide use for protein crystallization. In the future, it could be applied to nanoliter-scale crystallization screening on a paper sheet such as in inkjet printing.

  13. Improving marginal crystals.

    PubMed

    Carter, Charles W; Riès-Kautt, Madeleine

    2007-01-01

    The physical chemistry of crystal growth can help to identify directions in which to look for improved crystal properties. In this chapter, we summarize how crystal growth depends on parameters that can be controlled experimentally, and relate them to the tools available for optimizing a particular crystal form for crystal shape, volume, and diffraction quality. Our purpose is to sketch the conceptual basis of optimization and to provide sample protocols derived from those foundations. We hope to assist even those who chose not to use systematic methods by enabling them to carry out rudimentary optimization searches armed with a better understanding of how the underlying physical chemistry operates.

  14. The Iowa Validation Site

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Remote sensing can be used to observe the land surface hydrologic cycle, but the quantitative aspects of these observations are not well known. We present a small (1 km^2) experimental validation site, the Iowa Validation Site. Initially we have focused on validating remotely-sensed observations of ...

  15. Photonic crystal light source

    DOEpatents

    Fleming, James G.; Lin, Shawn-Yu; Bur, James A.

    2004-07-27

    A light source is provided by a photonic crystal having an enhanced photonic density-of-states over a band of frequencies and wherein at least one of the dielectric materials of the photonic crystal has a complex dielectric constant, thereby producing enhanced light emission at the band of frequencies when the photonic crystal is heated. The dielectric material can be a metal, such as tungsten. The spectral properties of the light source can be easily tuned by modification of the photonic crystal structure and materials. The photonic crystal light source can be heated electrically or other heating means. The light source can further include additional photonic crystals that exhibit enhanced light emission at a different band of frequencies to provide for color mixing. The photonic crystal light source may have applications in optical telecommunications, information displays, energy conversion, sensors, and other optical applications.

  16. Protein Crystal Growth

    NASA Technical Reports Server (NTRS)

    2003-01-01

    In order to rapidly and efficiently grow crystals, tools were needed to automatically identify and analyze the growing process of protein crystals. To meet this need, Diversified Scientific, Inc. (DSI), with the support of a Small Business Innovation Research (SBIR) contract from NASA s Marshall Space Flight Center, developed CrystalScore(trademark), the first automated image acquisition, analysis, and archiving system designed specifically for the macromolecular crystal growing community. It offers automated hardware control, image and data archiving, image processing, a searchable database, and surface plotting of experimental data. CrystalScore is currently being used by numerous pharmaceutical companies and academic and nonprofit research centers. DSI, located in Birmingham, Alabama, was awarded the patent Method for acquiring, storing, and analyzing crystal images on March 4, 2003. Another DSI product made possible by Marshall SBIR funding is VaporPro(trademark), a unique, comprehensive system that allows for the automated control of vapor diffusion for crystallization experiments.

  17. Macromolecular Crystallization in Microgravity

    NASA Technical Reports Server (NTRS)

    Snell, Edward H.; Helliwell, John R.

    2004-01-01

    The key concepts that attracted crystal growers, macromolecular or solid state, to microgravity research is that density difference fluid flows and sedimentation of the growing crystals are greatly reduced. Thus, defects and flaws in the crystals can be reduced, even eliminated, and crystal volume can be increased. Macromolecular crystallography differs from the field of crystalline semiconductors. For the latter, crystals are harnessed for their electrical behaviors. A crystal of a biological macromolecule is used instead for diffraction experiments (X-ray or neutron) to determine the three-dimensional structure of the macromolecule. The better the internal order of the crystal of a biological macromolecule then the more molecular structure detail that can be extracted. This structural information that enables an understanding of how the molecule functions. This knowledge is changing the biological and chemical sciences with major potential in understanding disease pathologies. Macromolecular structural crystallography in general is a remarkable field where physics, biology, chemistry, and mathematics meet to enable insight to the basic fundamentals of life. In this review, we examine the use of microgravity as an environment to grow macromolecular crystals. We describe the crystallization procedures used on the ground, how the resulting crystals are studied and the knowledge obtained from those crystals. We address the features desired in an ordered crystal and the techniques used to evaluate those features in detail. We then introduce the microgravity environment, the techniques to access that environment, and the theory and evidence behind the use of microgravity for crystallization experiments. We describe how ground-based laboratory techniques have been adapted to microgravity flights and look at some of the methods used to analyze the resulting data. Several case studies illustrate the physical crystal quality improvements and the macromolecular structural

  18. Do protein crystals nucleate within dense liquid clusters?

    SciTech Connect

    Maes, Dominique; Vorontsova, Maria A.; Potenza, Marco A. C.; Sanvito, Tiziano; Sleutel, Mike; Giglio, Marzio; Vekilov, Peter G.

    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 clusters 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

  19. Crystal Polymorphism and Multiple Crystal Forms

    NASA Astrophysics Data System (ADS)

    Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Polito, Marco

    This chapter discusses the phenomenon of polymorphism in organic and organometallic compounds. Polymorphism is first introduced and then, to give the work some context, background information is given concerning properties and techniques for characterizing the solid phases. In particular, desolvation and interconverstion are examined, and the gas-solid reactions are presented as a successful route to obtaining new crystalline phases. Co-crystal definition is then described and the problem in distinguishing co-crystals and salts is evaluated.

  20. Revisiting the blind tests in crystal structure prediction: accurate energy ranking of molecular crystals.

    PubMed

    Asmadi, Aldi; Neumann, Marcus A; Kendrick, John; Girard, Pascale; Perrin, Marc-Antoine; Leusen, Frank J J

    2009-12-24

    In the 2007 blind test of crystal structure prediction hosted by the Cambridge Crystallographic Data Centre (CCDC), a hybrid DFT/MM method correctly ranked each of the four experimental structures as having the lowest lattice energy of all the crystal structures predicted for each molecule. The work presented here further validates this hybrid method by optimizing the crystal structures (experimental and submitted) of the first three CCDC blind tests held in 1999, 2001, and 2004. Except for the crystal structures of compound IX, all structures were reminimized and ranked according to their lattice energies. The hybrid method computes the lattice energy of a crystal structure as the sum of the DFT total energy and a van der Waals (dispersion) energy correction. Considering all four blind tests, the crystal structure with the lowest lattice energy corresponds to the experimentally observed structure for 12 out of 14 molecules. Moreover, good geometrical agreement is observed between the structures determined by the hybrid method and those measured experimentally. In comparison with the correct submissions made by the blind test participants, all hybrid optimized crystal structures (apart from compound II) have the smallest calculated root mean squared deviations from the experimentally observed structures. It is predicted that a new polymorph of compound V exists under pressure.

  1. Stability Orders of Acetaminophen and Theophylline Co-crystals Determined by Co-crystal Former Exchange Reactions and Their Correlation With In Silico and Thermal Parameters.

    PubMed

    Mukaida, Makoto; Sato, Haruna; Sugano, Kiyohiko; Terada, Katsuhide

    2017-01-01

    The aim of this study was to determine the thermodynamic stability order of co-crystals using co-crystal former exchange reactions and to validate 2 in silico parameters for predicting co-crystal formation. Co-crystal former exchange reactions were performed using acetaminophen (AC) co-crystals of oxalic acid (OX), maleic acid (MA), and theophylline (TH). The addition of TH to an AC-MA co-crystal (AC-MA) afforded AC-TH, suggesting that AC-TH was more stable than AC-MA. The stability order among the other co-crystals was determined in the same manner. The stability order of the AC co-crystals was determined to be AC-TH > AC-MA ≈ AC-OX. Interestingly, the addition of TH to AC-OX afforded TH-OX. The stability order of the TH co-crystals was also determined (OX-TH > AC-TH ≈ MA-TH). Although the stability order of the AC co-crystals was consistent with the differences in their hydrogen bond energy (ΔE), an in silico parameter for predicting co-crystal formation, it showed no relationship to the excess enthalpy (Hex). These results suggest that co-crystal formation can be predicted with greater accuracy using ΔE rather than Hex for AC co-crystals. The stability orders of the AC and TH co-crystals also correlated well with their melting points and disintegration temperatures.

  2. Protein crystal growth

    NASA Technical Reports Server (NTRS)

    2001-01-01

    Atomic force microscopy uses laser technology to reveal a defect, a double-screw dislocation, on the surface of this crystal of canavalin, a major source of dietary protein for humans and domestic animals. When a crystal grows, attachment kinetics and transport kinetics are competing for control of the molecules. As a molecule gets close to the crystal surface, it has to attach properly for the crystal to be usable. NASA has funded investigators to look at those attachment kinetics from a theoretical standpoint and an experimental standpoint. Dr. Alex McPherson of the University of California, Irvine, is one of those investigators. He uses X-ray diffraction and atomic force microscopy in his laboratory to answer some of the many questions about how protein crystals grow. Atomic force microscopy provides a means of looking at how individual molecules are added to the surface of growing protein crystals. This helps McPherson understand the kinetics of protein crystal growth. McPherson asks, How fast do crystals grow? What are the forces involved? Investigators funded by NASA have clearly shown that such factors as the level of supersaturation and the rate of growth all affect the habit [characteristic arrangement of facets] of the crystal and the defects that occur in the crystal.

  3. Automated macromolecular crystallization screening

    DOEpatents

    Segelke, Brent W.; Rupp, Bernhard; Krupka, Heike I.

    2005-03-01

    An automated macromolecular crystallization screening system wherein a multiplicity of reagent mixes are produced. A multiplicity of analysis plates is produced utilizing the reagent mixes combined with a sample. The analysis plates are incubated to promote growth of crystals. Images of the crystals are made. The images are analyzed with regard to suitability of the crystals for analysis by x-ray crystallography. A design of reagent mixes is produced based upon the expected suitability of the crystals for analysis by x-ray crystallography. A second multiplicity of mixes of the reagent components is produced utilizing the design and a second multiplicity of reagent mixes is used for a second round of automated macromolecular crystallization screening. In one embodiment the multiplicity of reagent mixes are produced by a random selection of reagent components.

  4. Antarctic stratospheric ice crystals

    NASA Technical Reports Server (NTRS)

    Goodman, J.; Toon, O. B.; Pueschel, R. F.; Snetsinger, K. G.; Verma, S.

    1989-01-01

    Ice crystals were replicated over the Palmer Peninsula at approximately 72 deg S on six occasions during the 1987 Airboirne Antarctic Ozone Experiment. The sampling altitude was between 12.5 and 18.5 km (45-65 thousand ft pressure altitude) with the temperature between 190 and 201 K. The atmosphere was subsaturated with respect to ice in all cases. The collected crystals were predominantly solid and hollow columns. The largest crystals were sampled at lower altitudes where the potential temperature was below 400 K. While the crystals were larger than anticipated, their low concentration results in a total surface area that is less than one tenth of the total aerosol surface area. The large ice crystals may play an important role in the observed stratospheric dehydration processes through sedimentation. Evidence of scavenging of submicron particles further suggests that the ice crystals may be effective in the removal of stratospheric chemicals.

  5. Protein crystallization in microgravity.

    PubMed

    Aibara, S; Shibata, K; Morita, Y

    1997-12-01

    A space experiment involving protein crystallization was conducted in a microgravity environment using the space shuttle "Endeavour" of STS-47, on a 9-day mission from September 12th to 20th in 1992. The crystallization was carried out according to a batch method, and 5 proteins were selected as flight samples for crystallization. Two of these proteins: hen egg-white lysozyme and co-amino acid: pyruvate aminotransferase from Pseudomonas sp. F-126, were obtained as single crystals of good diffraction quality. Since 1992 we have carried out several space experiments for protein crystallization aboard space shuttles and the space station MIR. Our experimental results obtained mainly from hen egg-white lysozyme are described below, focusing on the effects of microgravity on protein crystal growth.

  6. Crystallization of Macromolecules

    PubMed Central

    Friedmann, David; Messick, Troy; Marmorstein, Ronen

    2014-01-01

    X-ray crystallography has evolved into a very powerful tool to determine the three-dimensional structure of macromolecules and macromolecular complexes. The major bottleneck in structure determination by X-ray crystallography is the preparation of suitable crystalline samples. This unit outlines steps for the crystallization of a macromolecule, starting with a purified, homogeneous sample. The first protocols describe preparation of the macromolecular sample (i.e., proteins, nucleic acids, and macromolecular complexes). The preparation and assessment of crystallization trials is then described, along with a protocol for confirming whether the crystals obtained are composed of macromolecule as opposed to a crystallization reagent. Next, the optimization of crystallization conditions is presented. Finally, protocols that facilitate the growth of larger crystals through seeding are described. PMID:18429252

  7. Crystallization of Macromolecules

    PubMed Central

    Friedmann, David; Messick, Troy; Marmorstein, Ronen

    2014-01-01

    X-ray crystallography has evolved into a very powerful tool to determine the three-dimensional structure of macromolecules and macromolecular complexes. The major bottleneck in structure determination by X-ray crystallography is the preparation of suitable crystalline samples. This unit outlines steps for the crystallization of a macromolecule, starting with a purified, homogeneous sample. The first protocols describe preparation of the macromolecular sample (i.e., proteins, nucleic acids, and macromolecular complexes). The preparation and assessment of crystallization trials is then described, along with a protocol for confirming whether the crystals obtained are composed of macromolecule as opposed to a crystallization reagent . Next, the optimization of crystallization conditions is presented. Finally, protocols that facilitate the growth of larger crystals through seeding are described. PMID:22045560

  8. Phononic crystal devices

    DOEpatents

    El-Kady, Ihab F [Albuquerque, NM; Olsson, Roy H [Albuquerque, NM

    2012-01-10

    Phononic crystals that have the ability to modify and control the thermal black body phonon distribution and the phonon component of heat transport in a solid. In particular, the thermal conductivity and heat capacity can be modified by altering the phonon density of states in a phononic crystal. The present invention is directed to phononic crystal devices and materials such as radio frequency (RF) tags powered from ambient heat, dielectrics with extremely low thermal conductivity, thermoelectric materials with a higher ratio of electrical-to-thermal conductivity, materials with phononically engineered heat capacity, phononic crystal waveguides that enable accelerated cooling, and a variety of low temperature application devices.

  9. Liquid Crystal Optofluidics

    SciTech Connect

    Vasdekis, Andreas E.; Cuennet, J. G.; Psaltis, D.

    2012-10-11

    By employing anisotropic fluids and namely liquid crystals, fluid flow becomes an additional degree of freedom in designing optofluidic devices. In this paper, we demonstrate optofluidic liquid crystal devices based on the direct flow of nematic liquid crystals in microfluidic channels. Contrary to previous reports, in the present embodiment we employ the effective phase delay acquired by light travelling through flowing liquid crystal, without analysing the polarisation state of the transmitted light. With this method, we demonstrate the variation in the diffraction pattern of an array of microfluidic channels acting as a grating. We also discuss our recent activities in integrating mechanical oscillators for on-chip peristaltic pumping.

  10. Automation in biological crystallization.

    PubMed

    Stewart, Patrick Shaw; Mueller-Dieckmann, Jochen

    2014-06-01

    Crystallization remains the bottleneck in the crystallographic process leading from a gene to a three-dimensional model of the encoded protein or RNA. Automation of the individual steps of a crystallization experiment, from the preparation of crystallization cocktails for initial or optimization screens to the imaging of the experiments, has been the response to address this issue. Today, large high-throughput crystallization facilities, many of them open to the general user community, are capable of setting up thousands of crystallization trials per day. It is thus possible to test multiple constructs of each target for their ability to form crystals on a production-line basis. This has improved success rates and made crystallization much more convenient. High-throughput crystallization, however, cannot relieve users of the task of producing samples of high quality. Moreover, the time gained from eliminating manual preparations must now be invested in the careful evaluation of the increased number of experiments. The latter requires a sophisticated data and laboratory information-management system. A review of the current state of automation at the individual steps of crystallization with specific attention to the automation of optimization is given.

  11. Tunable plasmonic crystal

    DOEpatents

    Dyer, Gregory Conrad; Shaner, Eric A.; Reno, John L.; Aizin, Gregory

    2015-08-11

    A tunable plasmonic crystal comprises several periods in a two-dimensional electron or hole gas plasmonic medium that is both extremely subwavelength (.about..lamda./100) and tunable through the application of voltages to metal electrodes. Tuning of the plasmonic crystal band edges can be realized in materials such as semiconductors and graphene to actively control the plasmonic crystal dispersion in the terahertz and infrared spectral regions. The tunable plasmonic crystal provides a useful degree of freedom for applications in slow light devices, voltage-tunable waveguides, filters, ultra-sensitive direct and heterodyne THz detectors, and THz oscillators.

  12. Liquid crystal optofluidics

    NASA Astrophysics Data System (ADS)

    Vasdekis, A. E.; Cuennet, J. G.; Psaltis, D.

    2012-10-01

    By employing anisotropic fluids and namely liquid crystals, fluid flow becomes an additional degree of freedom in designing optofluidic devices. In this paper, we demonstrate optofluidic liquid crystal devices based on the direct flow of nematic liquid crystals in microfluidic channels. Contrary to previous reports, in the present embodiment we employ the effective phase delay acquired by light travelling through flowing liquid crystal, without analysing the polarisation state of the transmitted light. With this method, we demonstrate the variation in the diffraction pattern of an array of microfluidic channels acting as a grating. We also discuss our recent activities in integrating mechanical oscillators for on-chip peristaltic pumping.

  13. Heroin crystal nephropathy.

    PubMed

    Bautista, Josef Edrik Keith; Merhi, Basma; Gregory, Oliver; Hu, Susie; Henriksen, Kammi; Gohh, Reginald

    2015-06-01

    In this paper we present an interesting case of acute kidney injury and severe metabolic alkalosis in a patient with a history of heavy heroin abuse. Urine microscopy showed numerous broomstick-like crystals. These crystals are also identified in light and electron microscopy. We hypothesize that heroin crystalizes in an alkaline pH, resulting in tubular obstruction and acute kidney injury. Management is mainly supportive as there is no known specific therapy for this condition. This paper highlights the utility of urine microscopy in diagnosing the etiology of acute kidney injury and proposes a novel disease called heroin crystal nephropathy.

  14. Automation in biological crystallization

    PubMed Central

    Shaw Stewart, Patrick; Mueller-Dieckmann, Jochen

    2014-01-01

    Crystallization remains the bottleneck in the crystallographic process leading from a gene to a three-dimensional model of the encoded protein or RNA. Automation of the individual steps of a crystallization experiment, from the preparation of crystallization cocktails for initial or optimization screens to the imaging of the experiments, has been the response to address this issue. Today, large high-throughput crystallization facilities, many of them open to the general user community, are capable of setting up thousands of crystallization trials per day. It is thus possible to test multiple constructs of each target for their ability to form crystals on a production-line basis. This has improved success rates and made crystallization much more convenient. High-throughput crystallization, however, cannot relieve users of the task of producing samples of high quality. Moreover, the time gained from eliminating manual preparations must now be invested in the careful evaluation of the increased number of experiments. The latter requires a sophisticated data and laboratory information-management system. A review of the current state of automation at the individual steps of crystallization with specific attention to the automation of optimization is given. PMID:24915074

  15. Crystals in magma chambers

    NASA Astrophysics Data System (ADS)

    Higgins, M.

    2011-12-01

    Differentiation processes in igneous systems are one way in which the diversity of igneous rocks is produced. Traditionally, magmatic diversity is considered as variations in the overall chemical composition, such as basalt and rhyolite, but I want to extend this definition to include textural diversity. Such textural variations can be manifested as differences in the amount of crystalline (and immiscible liquid) phases and in the origin and identity of such phases. One important differentiation process is crystal-liquid separation by floatation or decantation, which clearly necessitates crystals in the magma. Hence, it is important to determine if magmas in chambers (sensu lato) have crystals. The following discussion is framed in generalities - many exceptions occur. Diabase (dolerite) dykes are a common, widespread result of regional mafic magmatism. The rims of most diabase dykes have few or no phenocrysts and crystals in the cores are commonly thought to have crystallized in place. Hence, this major mafic magmatic source did not have crystals, although compositional diversity of these dykes is commonly explained by crystal-liquid separation. This can be resolved if crystallisation was on the walls on the magma chamber. Similarly, most flood basalts are low in crystals and separation of those that are present cannot always explain the observed compositional diversity. Crystal-rich flows do occur, for example the 'Giant Plagioclase Basalts' of the Deccan series, but the crystals are thought to form or accumulate in a crystal-rich zone beneath the roof of the chamber - the rest of the chamber probably has few crystals. Some magmas from Hawaii contain significant amounts of olivine crystals, but most of these are deformed and cannot have crystallised in the chamber. In this case the crystals are thought to grow as the magma passes through a decollement zone. They may have grown on the walls or been trapped by filters. Basaltic andesite ignimbrites generally have

  16. Advanced Protein Crystallization Facility (APCF)

    NASA Technical Reports Server (NTRS)

    1998-01-01

    This section of the Life and Microgravity Spacelab (LMS) publication contains articles entitled: (1) Crystallization of EGFR-EGF; (2) Crystallization of Apocrustacyanin C1; (3) Crystallization and X-ray Analysis of 5S rRNA and the 5S rRNA Domain A; (4) Growth of Lysozyme Crystals at Low Nucleation Density; (5) Comparative Analysis of Aspartyl tRNA-synthetase and Thaumatin Crystals Grown on Earth and In Microgravity; (6) Lysosome Crystal Growth in the Advanced Protein Crystallization Facility Monitored via Mach-Zehnder Interferometry and CCD Video; (7) Analysis of Thaumatin Crystals Grown on Earth and in Microgravity; (8) Crystallization of the Nucleosome Core Particle; (9) Crystallization of Photosystem I; (10) Mechanism of Membrane Protein Crystal Growth: Bacteriorhodopsin-mixed Micelle Packing at the Consolution Boundary, Stabilized in Microgravity; (11) Crystallization in a Microgravity Environment of CcdB, a Protein Involved in the Control of Cell Death; and (12) Crystallization of Sulfolobus Solfataricus

  17. The solvent component of macromolecular crystals

    PubMed Central

    Weichenberger, Christian X.; Afonine, Pavel V.; Kantardjieff, Katherine; Rupp, Bernhard

    2015-01-01

    The mother liquor from which a biomolecular crystal is grown will contain water, buffer molecules, native ligands and cofactors, crystallization precipitants and additives, various metal ions, and often small-molecule ligands or inhibitors. On average, about half the volume of a biomolecular crystal consists of this mother liquor, whose components form the disordered bulk solvent. Its scattering contributions can be exploited in initial phasing and must be included in crystal structure refinement as a bulk-solvent model. Concomitantly, distinct electron density originating from ordered solvent components must be correctly identified and represented as part of the atomic crystal structure model. Herein, are reviewed (i) probabilistic bulk-solvent content estimates, (ii) the use of bulk-solvent density modification in phase improvement, (iii) bulk-solvent models and refinement of bulk-solvent contributions and (iv) modelling and validation of ordered solvent constituents. A brief summary is provided of current tools for bulk-solvent analysis and refinement, as well as of modelling, refinement and analysis of ordered solvent components, including small-molecule ligands. PMID:25945568

  18. Real-Time Protein Crystallization Image Acquisition and Classification System.

    PubMed

    Sigdel, Madhav; Pusey, Marc L; Aygun, Ramazan S

    2013-07-03

    In this paper, we describe the design and implementation of a stand-alone real-time system for protein crystallization image acquisition and classification with a goal to assist crystallographers in scoring crystallization trials. In-house assembled fluorescence microscopy system is built for image acquisition. The images are classified into three categories as non-crystals, likely leads, and crystals. Image classification consists of two main steps - image feature extraction and application of classification based on multilayer perceptron (MLP) neural networks. Our feature extraction involves applying multiple thresholding techniques, identifying high intensity regions (blobs), and generating intensity and blob features to obtain a 45-dimensional feature vector per image. To reduce the risk of missing crystals, we introduce a max-class ensemble classifier which applies multiple classifiers and chooses the highest score (or class). We performed our experiments on 2250 images consisting 67% non-crystal, 18% likely leads, and 15% clear crystal images and tested our results using 10-fold cross validation. Our results demonstrate that the method is very efficient (< 3 seconds to process and classify an image) and has comparatively high accuracy. Our system only misses 1.2% of the crystals (classified as non-crystals) most likely due to low illumination or out of focus image capture and has an overall accuracy of 88%.

  19. Channeling through Bent Crystals

    SciTech Connect

    Mack, Stephanie; /Ottawa U. /SLAC

    2012-09-07

    Bent crystals have demonstrated potential for use in beam collimation. A process called channeling is when accelerated particle beams are trapped by the nuclear potentials in the atomic planes within a crystal lattice. If the crystal is bent then the particles can follow the bending angle of the crystal. There are several different effects that are observed when particles travel through a bent crystal including dechanneling, volume capture, volume reflection and channeling. With a crystal placed at the edge of a particle beam, part of the fringe of the beam can be deflected away towards a detector or beam dump, thus helping collimate the beam. There is currently FORTRAN code by Igor Yazynin that has been used to model the passage of particles through a bent crystal. Using this code, the effects mentioned were explored for beam energy that would be seen at the Facility for Advanced Accelerator Experimental Tests (FACET) at a range of crystal orientations with respect to the incoming beam. After propagating 5 meters in vacuum space past the crystal the channeled particles were observed to separate from most of the beam with some noise due to dechanneled particles. Progressively smaller bending radii, with corresponding shorter crystal lengths, were compared and it was seen that multiple scattering decreases with the length of the crystal therefore allowing for cleaner detection of the channeled particles. The input beam was then modified and only a portion of the beam sent through the crystal. With the majority of the beam not affected by the crystal, most particles were not deflected and after propagation the channeled particles were seen to be deflected approximately 5mm. After a portion of the beam travels through the crystal, the entire beam was then sent through a quadrupole magnet, which increased the separation of the channeled particles from the remainder of the beam to a distance of around 20mm. A different code, which was developed at SLAC, was used to

  20. 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.

  1. Interpretation of DTA experiments used for crystal nucleation rate determinations

    NASA Technical Reports Server (NTRS)

    Weinberg, Michael C.

    1991-01-01

    An analysis is presented of two schemes which have been proposed for the determination of the temperature dependence of homogeneous crystal nucleation rates in glasses via DTA measurements. The first method is based upon the postulate that the inverse of the temperature at which the DTA crystallization rate is maximum, will increase monotonically as the number density of nucleated particles increases. The secone method is based on the observation that the intensity at T(p) (peak height) increases as T(p) grows. The validity of both of these methods is assessed for inorganic glasses for two specific crystal growth models.

  2. Crystals for stellar spectrometers

    NASA Technical Reports Server (NTRS)

    Alexandropoulos, N. G.; Cohen, G. G.

    1974-01-01

    Crystal evaluation as it applies to instrumentation employed in X-ray astronomy is reviewed, and some solutions are offered to problems that are commonly encountered. A general approach for selecting the most appropriate crystals for a given problem is also suggested. The energy dependence of the diffraction properties of (002) PET, (111) Ge, (101) ADP, (101) KAP, and (001) RAP are reported.

  3. Walkout in Crystal City

    ERIC Educational Resources Information Center

    Barrios, Greg

    2009-01-01

    When students take action, they create change that extends far beyond the classroom. In this article, the author, who was a former teacher from Crystal City, Texas, remembers the student walkout that helped launch the Latino civil rights movement 40 years ago. The Crystal City student walkout remains a high point in the history of student activism…

  4. Crystal growth and crystallography

    NASA Technical Reports Server (NTRS)

    Chernov, A. A.

    1998-01-01

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

  5. Crystal Shape Bingo.

    ERIC Educational Resources Information Center

    Rule, Audrey C.

    This document describes a game that provides students with practice in recognizing three dimensional crystal shapes and planar geometric shapes of crystal faces. It contains information on the objective of the game, game preparation, and rules for playing. Play cards are included (four to a page). (ASK)

  6. Demonstration of Crystal Structure.

    ERIC Educational Resources Information Center

    Neville, Joseph P.

    1985-01-01

    Describes an experiment where equal parts of copper and aluminum are heated then cooled to show extremely large crystals. Suggestions are given for changing the orientation of crystals by varying cooling rates. Students are more receptive to concepts of microstructure after seeing this experiment. (DH)

  7. Experiment and theory for heterogeneous nucleation of protein crystals in a porous medium.

    PubMed

    Chayen, Naomi E; Saridakis, Emmanuel; Sear, Richard P

    2006-01-17

    The determination of high-resolution structures of proteins requires crystals of suitable quality. Because of the new impetus given to structural biology by structural genomics/proteomics, the problem of crystallizing proteins is becoming increasingly acute. There is therefore an urgent requirement for the development of new efficient methods to aid crystal growth. Nucleation is the crucial step that determines the entire crystallization process. Hence, the holy grail is to design a "universal nucleant," a substrate that induces the nucleation of crystals of any protein. We report a theory for nucleation on disordered porous media and its experimental testing and validation using a mesoporous bioactive gel-glass. This material induced the crystallization of the largest number of proteins ever crystallized using a single nucleant. The combination of the model and the experimental results opens up the scope for the rational design of nucleants, leading to alternative means of controlling crystallization.

  8. Thermodynamic and kinetic aspects of fat crystallization.

    PubMed

    Himawan, C; Starov, V M; Stapley, A G F

    2006-09-25

    Naturally occurring fats are multi-component mixtures of triacylglycerols (TAGs), which are triesters of fatty acids with glycerol, and of which there are many chemically distinct compounds. Due to the importance of fats to the food and consumer products industries, fat crystallization has been studied for many years and many intricate features of TAG interactions, complicated by polymorphism, have been identified. The melting and crystallization properties of triacylglycerols are very sensitive to even small differences in fatty acid composition and position within the TAG molecule which cause steric hindrance. Differences of fatty acid chain length within a TAG lead to packing imperfections, and differences in chain lengths between different TAG molecules lead to a loss of intersolubility in the solid phase. The degree of saturation is hugely important as the presence of a double bond in a fatty acid chain causes rigid kinks in the fatty acid chains that produce huge disruption to packing structures with the result that TAGs containing double bonds have much lower melting points than completely saturated TAGs. All of these effects are more pronounced in the most stable polymorphic forms, which require the most efficient molecular packing. The crystallization of fats is complicated not just by polymorphism, but also because it usually occurs from a multi-component melt rather than from a solvent which is more common in other industrial crystallizations. This renders the conventional treatment of crystallization as a result of supersaturation somewhat meaningless. Most studies in the literature consequently quantify crystallization driving forces using the concept of supercooling below a distinct melting point. However whilst this is theoretically valid for a single component system, it can only at best represent a rough approximation for natural fat systems, which display a range of melting points. This paper reviews the latest attempts to describe the sometimes

  9. Validity for What Purpose?

    ERIC Educational Resources Information Center

    Shepard, Lorrie A.

    2013-01-01

    Background/Context: The evolution of validity understandings from mid-century to now has emphasized that test validity depends on test purpose--adding consequence considerations to issues of interpretation and evidentiary warrants. Purpose: To consider the tensions created by multiple purposes for assessment and sketch briefly how we got to where…

  10. SOSS ICN Model Validation

    NASA Technical Reports Server (NTRS)

    Zhu, Zhifan

    2016-01-01

    Under the NASA-KAIA-KARI ATM research collaboration agreement, SOSS ICN Model has been developed for Incheon International Airport. This presentation describes the model validation work in the project. The presentation will show the results and analysis of the validation.

  11. Validating Automated Speaking Tests

    ERIC Educational Resources Information Center

    Bernstein, Jared; Van Moere, Alistair; Cheng, Jian

    2010-01-01

    This paper presents evidence that supports the valid use of scores from fully automatic tests of spoken language ability to indicate a person's effectiveness in spoken communication. The paper reviews the constructs, scoring, and the concurrent validity evidence of "facility-in-L2" tests, a family of automated spoken language tests in Spanish,…

  12. Five Data Validation Cases

    ERIC Educational Resources Information Center

    Simkin, Mark G.

    2008-01-01

    Data-validation routines enable computer applications to test data to ensure their accuracy, completeness, and conformance to industry or proprietary standards. This paper presents five programming cases that require students to validate five different types of data: (1) simple user data entries, (2) UPC codes, (3) passwords, (4) ISBN numbers, and…

  13. Kane, Validity and Soundness

    ERIC Educational Resources Information Center

    Davies, Alan

    2012-01-01

    In this article, the author begins by discussing four challenges on the concept of validity. These challenges are: (1) the appeal to logic and syllogistic reasoning; (2) the claim of reliability; (3) the local and the universal; and (4) the unitary and the divisible. In language testing validity cannot be achieved directly but only through a…

  14. An SAT® Validity Primer

    ERIC Educational Resources Information Center

    Shaw, Emily J.

    2015-01-01

    This primer should provide the reader with a deeper understanding of the concept of test validity and will present the recent available validity evidence on the relationship between SAT® scores and important college outcomes. In addition, the content examined on the SAT will be discussed as well as the fundamental attention paid to the fairness of…

  15. Validating Analytical Methods

    ERIC Educational Resources Information Center

    Ember, Lois R.

    1977-01-01

    The procedures utilized by the Association of Official Analytical Chemists (AOAC) to develop, evaluate, and validate analytical methods for the analysis of chemical pollutants are detailed. Methods validated by AOAC are used by the EPA and FDA in their enforcement programs and are granted preferential treatment by the courts. (BT)

  16. Bioengineered magnetic crystals

    NASA Astrophysics Data System (ADS)

    Kasyutich, O.; Sarua, A.; Schwarzacher, W.

    2008-07-01

    In this paper we report on the successful application of a protein crystallization technique to fabricate a three-dimensionally ordered array of magnetic nanoparticles, i.e. a novel type of metamaterial with unique magnetic properties. We utilize ferritin protein cages for the template-constrained growth of superparamagnetic nanoparticles of magnetite/maghemite Fe3O4-γ-Fe2O3 (magnetoferritin), followed by thorough nanoparticle bioprocessing and purification, and finally by protein crystallization. Protein crystallization is driven by the natural response of proteins to the supersaturation of the electrolyte, which leads to spontaneous nucleation and 3D crystal growth. Within a short period of time (hours to days) we were able to grow functional crystals on the meso-scale, with sizes of the order of tens, up to a few hundred micrometres. We present initial magnetic and Raman spectroscopy characterization results for the obtained 3D arrays of magnetic nanoparticles.

  17. Polymer Crystallization under Confinement

    NASA Astrophysics Data System (ADS)

    Floudas, George

    Recent efforts indicated that polymer crystallization under confinement can be substantially different from the bulk. This can have important technological applications for the design of polymeric nanofibers with tunable mechanical strength, processability and optical clarity. However, the question of how, why and when polymers crystallize under confinement is not fully answered. Important studies of polymer crystallization confined to droplets and within the spherical nanodomains of block copolymers emphasized the interplay between heterogeneous and homogeneous nucleation. Herein we report on recent studies1-5 of polymer crystallization under hard confinement provided by model self-ordered AAO nanopores. Important open questions here are on the type of nucleation (homogeneous vs. heterogeneous), the size of critical nucleus, the crystal orientation and the possibility to control the overall crystallinity. Providing answers to these questions is of technological relevance for the understanding of nanocomposites containing semicrystalline polymers. In collaboration with Y. Suzuki, H. Duran, M. Steinhart, H.-J. Butt.

  18. Bibliometrics for Social Validation.

    PubMed

    Hicks, Daniel J

    2016-01-01

    This paper introduces a bibliometric, citation network-based method for assessing the social validation of novel research, and applies this method to the development of high-throughput toxicology research at the US Environmental Protection Agency. Social validation refers to the acceptance of novel research methods by a relevant scientific community; it is formally independent of the technical validation of methods, and is frequently studied in history, philosophy, and social studies of science using qualitative methods. The quantitative methods introduced here find that high-throughput toxicology methods are spread throughout a large and well-connected research community, which suggests high social validation. Further assessment of social validation involving mixed qualitative and quantitative methods are discussed in the conclusion.

  19. Bibliometrics for Social Validation

    PubMed Central

    2016-01-01

    This paper introduces a bibliometric, citation network-based method for assessing the social validation of novel research, and applies this method to the development of high-throughput toxicology research at the US Environmental Protection Agency. Social validation refers to the acceptance of novel research methods by a relevant scientific community; it is formally independent of the technical validation of methods, and is frequently studied in history, philosophy, and social studies of science using qualitative methods. The quantitative methods introduced here find that high-throughput toxicology methods are spread throughout a large and well-connected research community, which suggests high social validation. Further assessment of social validation involving mixed qualitative and quantitative methods are discussed in the conclusion. PMID:28005974

  20. Isomorph invariance of the structure and dynamics of classical crystals

    NASA Astrophysics Data System (ADS)

    Albrechtsen, Dan E.; Olsen, Andreas E.; Pedersen, Ulf R.; Schrøder, Thomas B.; Dyre, Jeppe C.

    2014-09-01

    This paper shows by computer simulations that some crystalline systems have curves in their thermodynamic phase diagrams, so-called isomorphs, along which structure and dynamics in reduced units are invariant to a good approximation. The crystals are studied in a classical-mechanical framework, which is generally a good description except significantly below melting. The existence of isomorphs for crystals is validated by simulations of particles interacting via the Lennard-Jones pair potential arranged into a face-centered cubic (fcc) crystalline structure; the slow vacancy-jump dynamics of a defective fcc crystal is also shown to be isomorph invariant. In contrast, a NaCl crystal model does not exhibit isomorph invariances. Other systems simulated, though in less detail, are the Wahnström binary Lennard-Jones crystal with the MgZn2 Laves crystal structure, monatomic fcc crystals of particles interacting via the Buckingham pair potential and via a purely repulsive pair potential diverging at a finite separation, an ortho-terphenyl molecular model crystal, and SPC/E hexagonal ice. Except for NaCl and ice, the crystals simulated all have isomorphs. Based on previous simulations of liquid models, we conjecture that crystalline solids with isomorphs include most or all formed by atoms or molecules interacting via metallic or van der Waals forces, whereas covalently bonded or hydrogen-bonded crystals are not expected to have isomorphs; crystals of ions or dipolar molecules constitute a limiting case for which isomorphs are only expected when the Coulomb interactions are relatively weak. We briefly discuss the consequences of the findings for theories of melting and crystallization.

  1. Crystallization of macromolecular complexes: combinatorial complex crystallization

    NASA Astrophysics Data System (ADS)

    Stura, Enrico A.; Graille, Marc; Charbonnier, Jean-Baptiste

    2001-11-01

    The usefulness of antibody complexation, as a way of increasing the chances of crystallization needs to be re-evaluated after many antibody complexes have been crystallized and their structure determined. It is somewhat striking that among these, only a small number is a complex with a large protein antigen. The problem is that the effort of raising, cleaving and purifying an Fab is rewarded only by an extra chance of getting crystals; depending on the relative likelihood of crystallization of the complexed and uncomplexed protein. The example of the complex between HIV gp120, CD4 and an Fab fragment from a neutralizing antibody suggests that further complexation of an antigen-antibody complex with a third protein could, by increasing the number of possible combinations, improve the likelihood of crystallization. We propose the use of Ig-binding proteins as a way of extending the method from HIV gp120 to all proteins for which there are monoclonal antibodies. We discuss this technique, combinatorial complex crystallization (CCC), as part of a multi-component system for the enhancement of crystallization of macromolecular complexes. The method makes use of single Ig-binding domains from Staphylococcus aureus protein A (SpA), Peptostreptococcus magnus protein L (PpL) and the streptococcal protein G (SpG). The generality of the method depends on the ability of these domains to interact with a large repertoire of antibodies without affecting antigen binding. There is strong evidence to suggest that these Ig-binding domains bind outside the antigen-combining site of the antibody without perturbing antigen binding. It is clear from the crystal structure of the single SpG domain complexed with an Fab that the interaction involves mainly the immunoglobulin CH1 domain, a region not involved in antigen recognition. We have recently determined the structure of the complex between a human Fab and the domain D from SpA and found that steric hindrance is unlikely even for large

  2. Shaped Crystal Growth

    NASA Astrophysics Data System (ADS)

    Tatartchenko, Vitali A.

    Crystals of specified shape and size (shaped crystals) with controlled crystal growth (SCG) defect and impurity structure have to be grown for the successful development of modern engineering. Since the 1950s many hundreds of papers and patents concerned with shaped growth have been published. In this chapter, we do not try to enumerate the successful applications of shaped growth to different materials but rather to carry out a fundamental physical and mathematical analysis of shaping as well as the peculiarities of shaped crystal structures. Four main techniques, based on which the lateral surface can be shaped without contact with the container walls, are analyzed: the Czochralski technique (CZT), the Verneuil technique (VT), the floating zone technique (FZT), and technique of pulling from shaper (TPS). Modifications of these techniques are analyzed as well. In all these techniques the shape of the melt meniscus is controlled by surface tension forces, i.e., capillary forces, and here they are classified as capillary shaping techniques (CST). We look for conditions under which the crystal growth process in each CST is dynamically stable. Only in this case are all perturbations attenuated and a crystal of constant cross section shaping technique (CST) grown without any special regulation. The dynamic stability theory of the crystal growth process for all CST is developed on the basis of Lyapunov's dynamic stability theory. Lyapunov's equations for the crystal growth processes follow from fundamental laws. The results of the theory allow the choice of stable regimes for crystal growth by all CST as well as special designs of shapers in TPS. SCG experiments by CZT, VT, and FZT are discussed but the main consideration is given to TPS. Shapers not only allow crystal of very complicated cross section to be grown but provide a special distribution of impurities. A history of TPS is provided later in the chapter, because it can only be described after explanation of the

  3. Dispersion in photonic crystals

    NASA Astrophysics Data System (ADS)

    Witzens, Jeremy

    2005-11-01

    Investigations on the dispersive properties of photonic crystals, modified scattering in ring-resonators, monolithic integration of vertical-cavity surface-emitting lasers and advanced data processing techniques for the finite-difference time-domain method are presented. Photonic crystals are periodic mesoscopic arrays of scatterers that modify the propagation properties of electromagnetic waves in a similar way as "natural" crystals modify the properties of electrons in solid-state physics. In this thesis photonic crystals are implemented as planar photonic crystals, i.e., optically thin semiconductor films with periodic arrays of holes etched into them, with a hole-to-hole spacing of the order of the wavelength of light in the dielectric media. Photonic crystals can feature forbidden frequency ranges (the band-gaps) in which light cannot propagate. Even though most work on photonic crystals has focused on these band-gaps for application such as confinement and guiding of light, this thesis focuses on the allowed frequency regions (the photonic bands) and investigates how the propagation of light is modified by the crystal lattice. In particular the guiding of light in bulk photonic crystals in the absence of lattice defects (the self-collimation effect) and the angular steering of light in photonic crystals (the superprism effect) are investigated. The latter is used to design a planar lightwave circuit for frequency domain demultiplexion. Difficulties such as efficient insertion of light into the crystal are resolved and previously predicted limitations on the resolution are circumvented. The demultiplexer is also fabricated and characterized. Monolithic integration of vertical-cavity surface-emitting lasers by means of resonantly enhanced grating couplers is investigated. The grating coupler is designed to bend light through a ninety-degree angle and is characterized with the finite-difference time-domain method. The vertical-cavity surface-emitting lasers are

  4. Protein crystal growth in microgravity

    NASA Technical Reports Server (NTRS)

    Delucas, Lawrence J.; Smith, Craig D.; Smith, H. Wilson; Vijay-Kumar, Senadhi; Senadhi, Shobha E.; Ealick, Steven E.; Carter, Daniel C.; Snyder, Robert S.

    1989-01-01

    The crystals of most proteins or other biological macromolecules are poorly ordered and diffract to lower resolutions than those observed for most crystals of simple organic and inorganic compounds. Crystallization in the microgravity environment of space may improve crystal quality by eliminating convection effects near growing crystal surfaces. A series of 11 different protein crystal growth experiments was performed on U.S. Space Shuttle flight STS-26 in September 1988. The microgravity-grown crystals of gamma-interferon D1, porcine elastase, and isocitrate lyase are larger, display more uniform morphologies, and yield diffraction data to significantly higher resolutions than the best crystals of these proteins grown on earth.

  5. Validation Test Report for WAVEWATCH III

    DTIC Science & Technology

    2012-11-30

    WAM and WAVEWATCH III. An experimental realtime system is now running on NAVOCEANO hardware and uses the “multi-grid” (two-way nesting) feature of...WW3, with a global grid and nine regional grids. The realtime system is validated in a limited sense using several coastal and deep- water NOAA NDBC...WAVEWATCH III Wave model Windsea Swell 73-5097-A3-5 Space & Naval Warfare Systems Command 2451 Crystal Drive Arlington, VA 22245-5200 0603207N SPAWAR ii

  6. Quartz crystal growth

    DOEpatents

    Baughman, Richard J.

    1992-01-01

    A process for growing single crystals from an amorphous substance that can undergo phase transformation to the crystalline state in an appropriate solvent. The process is carried out in an autoclave having a lower dissolution zone and an upper crystallization zone between which a temperature differential (.DELTA.T) is maintained at all times. The apparatus loaded with the substance, solvent, and seed crystals is heated slowly maintaining a very low .DELTA.T between the warmer lower zone and cooler upper zone until the amorphous substance is transformed to the crystalline state in the lower zone. The heating rate is then increased to maintain a large .DELTA.T sufficient to increase material transport between the zones and rapid crystallization. .alpha.-Quartz single crystal can thus be made from fused quartz in caustic solvent by heating to 350.degree. C. stepwise with a .DELTA.T of 0.25.degree.-3.degree. C., increasing the .DELTA.T to about 50.degree. C. after the fused quartz has crystallized, and maintaining these conditions until crystal growth in the upper zone is completed.

  7. Model Validation Status Review

    SciTech Connect

    E.L. Hardin

    2001-11-28

    The primary objective for the Model Validation Status Review was to perform a one-time evaluation of model validation associated with the analysis/model reports (AMRs) containing model input to total-system performance assessment (TSPA) for the Yucca Mountain site recommendation (SR). This review was performed in response to Corrective Action Request BSC-01-C-01 (Clark 2001, Krisha 2001) pursuant to Quality Assurance review findings of an adverse trend in model validation deficiency. The review findings in this report provide the following information which defines the extent of model validation deficiency and the corrective action needed: (1) AMRs that contain or support models are identified, and conversely, for each model the supporting documentation is identified. (2) The use for each model is determined based on whether the output is used directly for TSPA-SR, or for screening (exclusion) of features, events, and processes (FEPs), and the nature of the model output. (3) Two approaches are used to evaluate the extent to which the validation for each model is compliant with AP-3.10Q (Analyses and Models). The approaches differ in regard to whether model validation is achieved within individual AMRs as originally intended, or whether model validation could be readily achieved by incorporating information from other sources. (4) Recommendations are presented for changes to the AMRs, and additional model development activities or data collection, that will remedy model validation review findings, in support of licensing activities. The Model Validation Status Review emphasized those AMRs that support TSPA-SR (CRWMS M&O 2000bl and 2000bm). A series of workshops and teleconferences was held to discuss and integrate the review findings. The review encompassed 125 AMRs (Table 1) plus certain other supporting documents and data needed to assess model validity. The AMRs were grouped in 21 model areas representing the modeling of processes affecting the natural and

  8. Validation of expert systems

    NASA Technical Reports Server (NTRS)

    Stachowitz, Rolf A.; Combs, Jacqueline B.

    1988-01-01

    The validation of expert systems (ESs) has only recently become an active AI research topic. Current approaches have concentrated mainly on the validation of rule properties of such systems. The efforts presented improves on current methods by also exploiting the structural and semantic information of such systems. To increase programmer productivity, more and more companies have begun exploiting the advent of AI technology by developing applications using ES shells or other AI-based high level program generators. The architecture, functionality, and future goals of Expert Systems Validation are described along with the features that have been implemented for and in Automated Reasoning Tool, the ES shell presented.

  9. Aluminum Nitride Crystal Growth

    DTIC Science & Technology

    1979-12-01

    increase the growth rate of AiN crystals from the vapor phase, and some new experiments to test this model conjecture are needed. if one’could operate...walls is much less severe,, and hence the crucible lifetime is about 88 times greater than for the -slycrystalline tungsten. In an effort to test this...added H2 to increase the growth rate is a better idea. One growth run, W253, Was made to test the single-crystal crucible method. The crystal from

  10. Crystallization on prestructured seeds.

    PubMed

    Jungblut, Swetlana; Dellago, Christoph

    2013-01-01

    The crystallization transition of an undercooled monodisperse Lennard-Jones fluid in the presence of small prestructured seeds is studied with transition path sampling combined with molecular dynamics simulations. Compared to the homogeneous crystallization, clusters of a few particles arranged into a face- and body-centered cubic structure enhance the crystallization, while icosahedrally ordered seeds do not change the reaction rate. We identify two distinct nucleation regimes-close to the seed and in the bulk. Crystallites form close to the face- and body-centered structures and tend to stay away from the icosahedrally ordered seeds.

  11. Crystals in light.

    PubMed

    Kahr, Bart; Freudenthal, John; Gunn, Erica

    2010-05-18

    We have made images of crystals illuminated with polarized light for almost two decades. Early on, we abandoned photosensitive chemicals in favor of digital electrophotometry with all of the attendant advantages of quantitative intensity data. Accurate intensities are a boon because they can be used to analytically discriminate small effects in the presence of larger ones. The change in the form of our data followed camera technology that transformed picture taking the world over. Ironically, exposures in early photographs were presumed to correlate simply with light intensity, raising the hope that photography would replace sensorial interpretation with mechanical objectivity and supplant the art of visual photometry. This was only true in part. Quantitative imaging accurate enough to render the separation of crystalloptical quantities had to await the invention of the solid-state camera. Many pioneers in crystal optics were also major figures in the early history of photography. We draw out the union of optical crystallography and photography because the tree that connects the inventors of photography is a structure unmatched for organizing our work during the past 20 years, not to mention that silver halide crystallites used in chemical photography are among the most consequential "crystals in light", underscoring our title. We emphasize crystals that have acquired optical properties such as linear birefringence, linear dichroism, circular birefringence, and circular dichroism, during growth from solution. Other crystalloptical effects were discovered that are unique to curiously dissymmetric crystals containing embedded oscillators. In the aggregate, dyed crystals constitute a generalization of single crystal matrix isolation. Simple crystals provided kinetic stability to include guests such as proteins or molecules in excited states. Molecular lifetimes were extended for the preparation of laser gain media and for the study of the photodynamics of single

  12. Swimming in a crystal.

    PubMed

    Brown, Aidan T; Vladescu, Ioana D; Dawson, Angela; Vissers, Teun; Schwarz-Linek, Jana; Lintuvuori, Juho S; Poon, Wilson C K

    2016-01-07

    We study catalytic Janus particles and Escherichia coli bacteria swimming in a two-dimensional colloidal crystal. The Janus particles orbit individual colloids and hop between colloids stochastically, with a hopping rate that varies inversely with fuel (hydrogen peroxide) concentration. At high fuel concentration, these orbits are stable for 100s of revolutions, and the orbital speed oscillates periodically as a result of hydrodynamic, and possibly also phoretic, interactions between the swimmer and the six neighbouring colloids. Motile E. coli bacteria behave very differently in the same colloidal crystal: their circular orbits on plain glass are rectified into long, straight runs, because the bacteria are unable to turn corners inside the crystal.

  13. Single crystals of chitosan.

    PubMed

    Cartier, N; Domard, A; Chanzy, H

    1990-10-01

    Lamellar single crystals of chitosan were prepared at 125 degrees C by adding ammonia to a low DP fraction of chitosan dissolved in water. The crystals gave sharp electron diffraction diagrams which could be indexed in an orthorhombic P2(1)2(1)2(1) unit cell with a = 8.07 A, b = 8.44 A, c = 10.34 A. The unit cell contained two anti-parallel chitosan chains and no water molecules. It was found that cellulose microfibrils from Valonia ventricosa could act as nuclei for inducing the crystallization of chitosan on cellulose. This produced a shish-kebab morphology.

  14. Molecules in crystals

    NASA Astrophysics Data System (ADS)

    Spackman, Mark A.

    2013-04-01

    Hirshfeld surface analysis has developed from the serendipitous discovery of a novel partitioning of the crystal electron density into discrete molecular fragments, to a suite of computational tools used widely for the identification, analysis and discussion of intermolecular interactions in molecular crystals. The relationship between the Hirshfeld surface and very early ideas on the internal structure of crystals is outlined, and applications of Hirshfeld surface analysis are presented for three molecules of historical importance in the development of modern x-ray crystallography: hexamethylbenzene, hexamethylenetetramine and diketopiperazine.

  15. The Crystal Hotel: A Microfluidic Approach to Biomimetic Crystallization.

    PubMed

    Gong, Xiuqing; Wang, Yun-Wei; Ihli, Johannes; Kim, Yi-Yeoun; Li, Shunbo; Walshaw, Richard; Chen, Li; Meldrum, Fiona C

    2015-12-02

    A "crystal hotel" microfluidic device that allows crystal growth in confined volumes to be studied in situ is used to produce large calcite single crystals with predefined crystallographic orientation, microstructure, and shape by control of the detailed physical environment, flow, and surface chemistry. This general approach can be extended to form technologically important, nanopatterned single crystals.

  16. Land Product Validation (LPV)

    NASA Technical Reports Server (NTRS)

    Schaepman, Gabriela; Roman, Miguel O.

    2013-01-01

    This presentation will discuss Land Product Validation (LPV) objectives and goals, LPV structure update, interactions with other initiatives during report period, outreach to the science community, future meetings and next steps.

  17. College Text Test Validity.

    ERIC Educational Resources Information Center

    McAfee, Donald C.

    1979-01-01

    A team of faculty members and graduate students identified major concepts and developed validated test questions for two widely used textbooks in personal hygiene classes in order to standardize norms for classes and supplement inadequate instructor's manuals. (JMF)

  18. Trace Volatile Data Validation

    EPA Pesticide Factsheets

    Document designed to offer data reviewers guidance in determining the validity ofanalytical data generated through the USEPA Contract Laboratory Program (CLP) Statement ofWork (SOW) ISM01.X Inorganic Superfund Methods (Multi-Media, Multi-Concentration)

  19. Validation of multiprocessor systems

    NASA Technical Reports Server (NTRS)

    Siewiorek, D. P.; Segall, Z.; Kong, T.

    1982-01-01

    Experiments that can be used to validate fault free performance of multiprocessor systems in aerospace systems integrating flight controls and avionics are discussed. Engineering prototypes for two fault tolerant multiprocessors are tested.

  20. Validation of Gaia data

    NASA Astrophysics Data System (ADS)

    Fabricius, C.; Arenou, F.; Jordi, C.; Figueras, F.; Soria, S.; Romero-Gómez, M.; Carrasco, J. M.

    2017-03-01

    In preparation of the first Gaia data release the data has undergone a large number of tests, in order to check the validity of positions, parallaxes, proper motions, and magnitudes. Tests carried out by the Gaia consortium - with participation of the University of Barcelona - include independent error estimations from the negative parallax tail, comparisons with existing catalogues, internal consistency of open clusters, distributions of the various quantities, etc. This validation has led to final conclusions on which Gaia solutions to accept for publication.

  1. EOS Terra Validation Program

    NASA Technical Reports Server (NTRS)

    Starr, David

    1999-01-01

    The EOS Terra mission will be launched in July 1999. This mission has great relevance to the atmospheric radiation community and global change issues. Terra instruments include ASTER, CERES, MISR, MODIS and MOPITT. In addition to the fundamental radiance data sets, numerous global science data products will be generated, including various Earth radiation budget, cloud and aerosol parameters, as well as land surface, terrestrial ecology, ocean color, and atmospheric chemistry parameters. Significant investments have been made in on-board calibration to ensure the quality of the radiance observations. A key component of the Terra mission is the validation of the science data products. This is essential for a mission focused on global change issues and the underlying processes. The Terra algorithms have been subject to extensive pre-launch testing with field data whenever possible. Intensive efforts will be made to validate the Terra data products after launch. These include validation of instrument calibration (vicarious calibration) experiments, instrument and cross-platform comparisons, routine collection of high quality correlative data from ground-based networks, such as AERONET, and intensive sites, such as the SGP ARM site, as well as a variety field experiments, cruises, etc. Airborne simulator instruments have been developed for the field experiment and underflight activities including the MODIS Airborne Simulator (MAS), AirMISR, MASTER (MODIS-ASTER), and MOPITT-A. All are integrated on the NASA ER-2, though low altitude platforms are more typically used for MASTER. MATR is an additional sensor used for MOPITT algorithm development and validation. The intensive validation activities planned for the first year of the Terra mission will be described with emphasis on derived geophysical parameters of most relevance to the atmospheric radiation community. Detailed information about the EOS Terra validation Program can be found on the EOS Validation program

  2. Verification and validation benchmarks.

    SciTech Connect

    Oberkampf, William Louis; Trucano, Timothy Guy

    2007-02-01

    Verification and validation (V&V) are the primary means to assess the accuracy and reliability of computational simulations. V&V methods and procedures have fundamentally improved the credibility of simulations in several high-consequence fields, such as nuclear reactor safety, underground nuclear waste storage, and nuclear weapon safety. Although the terminology is not uniform across engineering disciplines, code verification deals with assessing the reliability of the software coding, and solution verification deals with assessing the numerical accuracy of the solution to a computational model. Validation addresses the physics modeling accuracy of a computational simulation by comparing the computational results with experimental data. Code verification benchmarks and validation benchmarks have been constructed for a number of years in every field of computational simulation. However, no comprehensive guidelines have been proposed for the construction and use of V&V benchmarks. For example, the field of nuclear reactor safety has not focused on code verification benchmarks, but it has placed great emphasis on developing validation benchmarks. Many of these validation benchmarks are closely related to the operations of actual reactors at near-safety-critical conditions, as opposed to being more fundamental-physics benchmarks. This paper presents recommendations for the effective design and use of code verification benchmarks based on manufactured solutions, classical analytical solutions, and highly accurate numerical solutions. In addition, this paper presents recommendations for the design and use of validation benchmarks, highlighting the careful design of building-block experiments, the estimation of experimental measurement uncertainty for both inputs and outputs to the code, validation metrics, and the role of model calibration in validation. It is argued that the understanding of predictive capability of a computational model is built on the level of

  3. 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.

  4. Computer Modeling of Crystallization and Crystal Size distributions

    NASA Astrophysics Data System (ADS)

    Amenta, R. V.

    2002-05-01

    The crystal size distribution of an igneous rock has been shown to be related to the crystallization kinetics. In order to better understand crystallization processes, the nucleation and growth of crystals in a closed system is modeled computationally and graphically. Units of volume analogous to unit cells are systematically attached to stationary crystal nuclei. The number of volume units attached to each crystal per growth stage is proportional to the crystal size insuring that crystal dimensional growth rates are constant regardless of their size. The number of new crystal nuclei per total system volume that form in each growth stage increases exponentially Cumulative crystal size distributions (CCSD) are determined for various stages of crystallization (30 percent, 60 pct, etc) from a database generated by the computer model, and each distribution is fit to an exponential function of the same form. Simulation results show that CCSD functions appear to fit the data reasonably well (R-square) with the greatest misfit at 100 pct crystallization. The crystal size distribution at each pct crystallization can be obtained from the derivative of the respective CCSD function. The log form of each crystal size distribution (CSD) is a linear function with negative slope. Results show that the slopes of the CSD functions at pcts crystallization up to 90 pct are parallel, but the slope at 100 pct crystallization differs from the others although still in approximate alignment. We suggest that real crystallization of igneous rocks may show this pattern. In the early stages of crystallization crystals are far apart and CSD's are ideal as predicted by theory based on growth of crystals in a brine. At advanced stages of crystallization growth collision boundaries develop between crystals. As contiguity increases crystals become blocked and inactive because they can no longer grow. As crystallization approaches 100 pct a significant number of inactive crystals exist resulting in

  5. No warmup crystal oscillator

    NASA Technical Reports Server (NTRS)

    Phillips, D. H.

    1982-01-01

    During warmup, crystal oscillators often show a frequency offset as large as 1 part in 10 to the 5th power. If timing information is transferred to the oscillator and then the oscillator is allowed to warmup, a timing error greater than 1 millisecond will occur. For many applications, it is unsuitable to wait for the oscillator to warmup. For medium accuracy timing requirements where overall accuracies in the order of 1 millisecond are required, a no warmup crystal concept was developed. The concept utilizes two crystal oscillator, used sequentially to avoid using a crystal oscillator for timing much higher frequency accuracy once warmed up. The accuracy achieved with practical TCXOs at initial start over a range of temperatures is discussed. A second design utilizing two oven controlled oscillators is also discussed.

  6. Diffusion in Coulomb crystals

    SciTech Connect

    Hughto, J.; Schneider, A. S.; Horowitz, C. J.; Berry, D. K.

    2011-07-15

    Diffusion in Coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants D from molecular dynamics simulations. We find that D for Coulomb crystals with relatively soft-core 1/r interactions may be larger than D for Lennard-Jones or other solids with harder-core interactions. Diffusion, for simulations of nearly perfect body-centered-cubic lattices, involves the exchange of ions in ringlike configurations. Here ions ''hop'' in unison without the formation of long lived vacancies. Diffusion, for imperfect crystals, involves the motion of defects. Finally, we find that diffusion, for an amorphous system rapidly quenched from Coulomb parameter {Gamma}=175 to Coulomb parameters up to {Gamma}=1750, is fast enough that the system starts to crystalize during long simulation runs. These results strongly suggest that Coulomb solids in cold white dwarf stars, and the crust of neutron stars, will be crystalline and not amorphous.

  7. Diffusion in Coulomb crystals.

    PubMed

    Hughto, J; Schneider, A S; Horowitz, C J; Berry, D K

    2011-07-01

    Diffusion in Coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants D from molecular dynamics simulations. We find that D for Coulomb crystals with relatively soft-core 1/r interactions may be larger than D for Lennard-Jones or other solids with harder-core interactions. Diffusion, for simulations of nearly perfect body-centered-cubic lattices, involves the exchange of ions in ringlike configurations. Here ions "hop" in unison without the formation of long lived vacancies. Diffusion, for imperfect crystals, involves the motion of defects. Finally, we find that diffusion, for an amorphous system rapidly quenched from Coulomb parameter Γ=175 to Coulomb parameters up to Γ=1750, is fast enough that the system starts to crystalize during long simulation runs. These results strongly suggest that Coulomb solids in cold white dwarf stars, and the crust of neutron stars, will be crystalline and not amorphous.

  8. Crystal-Clear Technology.

    ERIC Educational Resources Information Center

    Ondris-Crawford, Renate J.; And Others

    1993-01-01

    Provides diagrams to aid in discussing polymer dispersed liquid crystal (PDLC) technology. Equipped with a knowledge of PDLC, teachers can provide students with insight on how the gap between basic science and technology is bridged. (ZWH)

  9. Crystallization behavior of anorthite

    NASA Technical Reports Server (NTRS)

    Klein, L.; Uhlmann, D. R.

    1974-01-01

    The growth rate of anorthite crystals from the melt is studied as a function of temperature with undercooling in the ranges 52-152 and 402-652 degrees C. The triclinic form is invariably observed as the crystallization product, growth is preferentially in the c direction, and the interface morphology is faceted. Significant growth rate anisotropy is indicated. The maximum growth rate of anorthite from the melt is higher than for anorthite-rich lunar compositions. Recent computer studies are combined with experimental data to estimate the heat of fusion of anorthite as 28000-45000 cal/mol; the corresponding range for entropy of fusion is (7.8-12)R (where R is the gas constant). The observations and kinetic data support Jackson's predictions concerning materials with large entropies of fusion and his suggestion that entropy of fusion is an important parameter for characterizing the crystal-liquid interface and the nature of the crystallization process.

  10. Crystallization of Silicon Ribbons

    NASA Technical Reports Server (NTRS)

    Leipold, M. H.

    1984-01-01

    Purity constraints for reasonable solar-cell efficiency require that silicon-ribbon growth for photovoltaics occur in a regime in which constitutional supercooling or other compositional effects on the crystallization front are not important. A major consideration in the fundamentals of crystallization is the removal of the latent heat of fusion. The direction of removal, compared with the growth direction, has a major influence on the crystallization rate and the development of localized stresses. The detailed shape of the crystallization front appears to have two forms: that required for dendritic-web growth, and that occurring in all others. After the removal of the latent heat of fusion, the thermal-mechanical behavior of all ribbons appears similar within the constraints of the exothermal gradient. The technological constraints in achieving the required thermal and mechanical conditions vary widely among the growth processes.

  11. Shaping Crystals using Electrophoresis

    NASA Astrophysics Data System (ADS)

    Palacci, Jeremie; Mackiewicz, Kristian

    2016-11-01

    Electrophoresis is size and shape independent as stressed by Morrison in his seminal paper. Here we present an original approach to reshape colloidal crystals using an electric field as a carving tool.

  12. SINGLE CRYSTAL NEUTRON DIFFRACTION.

    SciTech Connect

    KOETZLE,T.F.

    2001-03-13

    Single-crystal neutron diffraction measures the elastic Bragg reflection intensities from crystals of a material, the structure of which is the subject of investigation. A single crystal is placed in a beam of neutrons produced at a nuclear reactor or at a proton accelerator-based spallation source. Single-crystal diffraction measurements are commonly made at thermal neutron beam energies, which correspond to neutron wavelengths in the neighborhood of 1 Angstrom. For high-resolution studies requiring shorter wavelengths (ca. 0.3-0.8 Angstroms), a pulsed spallation source or a high-temperature moderator (a ''hot source'') at a reactor may be used. When complex structures with large unit-cell repeats are under investigation, as is the case in structural biology, a cryogenic-temperature moderator (a ''cold source'') may be employed to obtain longer neutron wavelengths (ca. 4-10 Angstroms). A single-crystal neutron diffraction analysis will determine the crystal structure of the material, typically including its unit cell and space group, the positions of the atomic nuclei and their mean-square displacements, and relevant site occupancies. Because the neutron possesses a magnetic moment, the magnetic structure of the material can be determined as well, from the magnetic contribution to the Bragg intensities. This latter aspect falls beyond the scope of the present unit; for information on magnetic scattering of neutrons see Unit 14.3. Instruments for single-crystal diffraction (single-crystal diffractometers or SCDs) are generally available at the major neutron scattering center facilities. Beam time on many of these instruments is available through a proposal mechanism. A listing of neutron SCD instruments and their corresponding facility contacts is included in an appendix accompanying this unit.

  13. Protein Crystal Quality Studies

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Eddie Snell, Post-Doctoral Fellow the National Research Council (NRC) uses a reciprocal space mapping diffractometer for macromolecular crystal quality studies. The diffractometer is used in mapping the structure of macromolecules such as proteins to determine their structure and thus understand how they function with other proteins in the body. This is one of several analytical tools used on proteins crystallized on Earth and in space experiments. Photo credit: NASA/Marshall Space Flight Center (MSFC)

  14. Macromolecular Crystal Quality

    NASA Technical Reports Server (NTRS)

    Snell, Edward H.; Borgstahl, Gloria E. O.; Bellamy, Henry D.; Curreri, Peter A. (Technical Monitor)

    2001-01-01

    There are many ways of judging a good crystal. Which we use depends on the qualities we seek. For gemstones size, clarity and impurity levels (color) are paramount. For the semiconductor industry purity is probably the most important quality. For the structural crystallographer the primary desideratum is the somewhat more subtle concept of internal order. In this chapter we discuss the effect of internal order (or the lack of it) on the crystal's diffraction properties.

  15. Liquid Crystal Airborne Display

    DTIC Science & Technology

    1977-08-01

    81/2X 11- 10 -9 .8 display using a large advertising alphanimeric ( TCI ) has been added to the front of the optical box used in the F-4 aircraft for HUD...properties over a wide range of tempera - tures, including normal room temperature. What are Liquid Crystals? Liquid crystals have been classified in three...natic fanctions and to present data needed for the semi- automatic and manual control of system functions. Existing aircraft using CRT display

  16. Crystal growth of drug materials by spherical crystallization

    NASA Astrophysics Data System (ADS)

    Szabó-Révész, P.; Hasznos-Nezdei, M.; Farkas, B.; Göcző, H.; Pintye-Hódi, K.; Erős, I.

    2002-04-01

    One of the crystal growth processes is the production of crystal agglomerates by spherical crystallization. Agglomerates of drug materials were developed by means of non-typical (magnesium aspartate) and typical (acetylsalicylic acid) spherical crystallization techniques. The growth of particle size and the spherical form of the agglomerates resulted in formation of products with good bulk density, flow, compactibility and cohesivity properties. The crystal agglomerates were developed for direct capsule-filling and tablet-making.

  17. Engineering Crystal Morphology

    NASA Astrophysics Data System (ADS)

    Dandekar, Preshit; Kuvadia, Zubin B.; Doherty, Michael F.

    2013-07-01

    Crystallization is an important separation and particle formation technique in the manufacture of high-value-added products. During crystallization, many physicochemical characteristics of the substance are established. Such characteristics include crystal polymorph, shape and size, chemical purity and stability, reactivity, and electrical and magnetic properties. However, control over the physical form of crystalline materials has remained poor, due mainly to an inadequate understanding of the basic growth and dissolution mechanisms, as well as of the influence of impurities, additives, and solvents on the growth rate of individual crystal faces. Crystal growth is a surface-controlled phenomenon in which solute molecules are incorporated into surface lattice sites to yield the bulk long-range order that characterizes crystalline materials. In this article, we describe some recent advances in crystal morphology engineering, with a special focus on a new mechanistic model for spiral growth. These mechanistic ideas are simple enough that they can be made to work and accurate enough that they are useful.

  18. Phononic crystal diffraction gratings

    NASA Astrophysics Data System (ADS)

    Moiseyenko, Rayisa P.; Herbison, Sarah; Declercq, Nico F.; Laude, Vincent

    2012-02-01

    When a phononic crystal is interrogated by an external source of acoustic waves, there is necessarily a phenomenon of diffraction occurring on the external enclosing surfaces. Indeed, these external surfaces are periodic and the resulting acoustic diffraction grating has a periodicity that depends on the orientation of the phononic crystal. This work presents a combined experimental and theoretical study on the diffraction of bulk ultrasonic waves on the external surfaces of a 2D phononic crystal that consists of a triangular lattice of steel rods in a water matrix. The results of transmission experiments are compared with theoretical band structures obtained with the finite-element method. Angular spectrograms (showing frequency as a function of angle) determined from diffraction experiments are then compared with finite-element simulations of diffraction occurring on the surfaces of the crystal. The experimental results show that the diffraction that occurs on its external surfaces is highly frequency-dependent and has a definite relation with the Bloch modes of the phononic crystal. In particular, a strong influence of the presence of bandgaps and deaf bands on the diffraction efficiency is found. This observation opens perspectives for the design of efficient phononic crystal diffraction gratings.

  19. Angular effects on thermochromic liquid crystal thermography

    NASA Astrophysics Data System (ADS)

    Kodzwa, Paul M.; Eaton, John K.

    2007-12-01

    This paper directly discusses the effects of lighting and viewing angles on liquid crystal thermography. This is because although thermochromic liquid crystals (TLCs) are a widely-used and accepted tool in heat transfer research, little effort has been directed to analytically describing these effects. Such insight is invaluable for the development of effective mitigation strategies. Using analytical relationships that describe the perceived color shift, a systematic manner of improving the performance of a TLC system is presented. This is particularly relevant for applications where significant variations in lighting and/or viewing angles are expected (such as a highly curved surface). This discussion includes an examination of the importance of the definition of the hue angle used to calibrate the color of a TLC-painted surface. The theoretical basis of the validated high-accuracy calibration approach reported by Kodzwa et al. (Exp Fluids s00348-007-0310-6, 2007) is presented.

  20. Colloidal crystals with diamond symmetry at optical lengthscales.

    PubMed

    Wang, Yifan; Jenkins, Ian C; McGinley, James T; Sinno, Talid; Crocker, John C

    2017-02-13

    Future optical materials promise to do for photonics what semiconductors did for electronics, but the challenge has long been in creating the structure they require-a regular, three-dimensional array of transparent microspheres arranged like the atoms in a diamond crystal. Here we demonstrate a simple approach for spontaneously growing double-diamond (or B32) crystals that contain a suitable diamond structure, using DNA to direct the self-assembly process. While diamond symmetry crystals have been grown from much smaller nanoparticles, none of those previous methods suffice for the larger particles needed for photonic applications, whose size must be comparable to the wavelength of visible light. Intriguingly, the crystals we observe do not readily form in previously validated simulations; nor have they been predicted theoretically. This finding suggests that other unexpected microstructures may be accessible using this approach and bodes well for future efforts to inexpensively mass-produce metamaterials for an array of photonic applications.

  1. Colloidal crystals with diamond symmetry at optical lengthscales

    NASA Astrophysics Data System (ADS)

    Wang, Yifan; Jenkins, Ian C.; McGinley, James T.; Sinno, Talid; Crocker, John C.

    2017-02-01

    Future optical materials promise to do for photonics what semiconductors did for electronics, but the challenge has long been in creating the structure they require--a regular, three-dimensional array of transparent microspheres arranged like the atoms in a diamond crystal. Here we demonstrate a simple approach for spontaneously growing double-diamond (or B32) crystals that contain a suitable diamond structure, using DNA to direct the self-assembly process. While diamond symmetry crystals have been grown from much smaller nanoparticles, none of those previous methods suffice for the larger particles needed for photonic applications, whose size must be comparable to the wavelength of visible light. Intriguingly, the crystals we observe do not readily form in previously validated simulations; nor have they been predicted theoretically. This finding suggests that other unexpected microstructures may be accessible using this approach and bodes well for future efforts to inexpensively mass-produce metamaterials for an array of photonic applications.

  2. Colloidal crystals with diamond symmetry at optical lengthscales

    PubMed Central

    Wang, Yifan; Jenkins, Ian C.; McGinley, James T.; Sinno, Talid; Crocker, John C.

    2017-01-01

    Future optical materials promise to do for photonics what semiconductors did for electronics, but the challenge has long been in creating the structure they require—a regular, three-dimensional array of transparent microspheres arranged like the atoms in a diamond crystal. Here we demonstrate a simple approach for spontaneously growing double-diamond (or B32) crystals that contain a suitable diamond structure, using DNA to direct the self-assembly process. While diamond symmetry crystals have been grown from much smaller nanoparticles, none of those previous methods suffice for the larger particles needed for photonic applications, whose size must be comparable to the wavelength of visible light. Intriguingly, the crystals we observe do not readily form in previously validated simulations; nor have they been predicted theoretically. This finding suggests that other unexpected microstructures may be accessible using this approach and bodes well for future efforts to inexpensively mass-produce metamaterials for an array of photonic applications. PMID:28194025

  3. Space Shuttle navigation validation

    NASA Astrophysics Data System (ADS)

    Ragsdale, A.

    The validation of the guidance, navigation, and control system of the Space Shuttle is explained. The functions of the ascent, on-board, and entry mission phases software of the navigation system are described. The common facility testing, which evaluates the simulations to be used in the navigation validation, is examined. The standard preflight analysis of the operational modes of the navigation software and the post-flight navigation analysis are explained. The conversion of the data into a useful reference frame and the use of orbit parameters in the analysis of the data are discussed. Upon entry the data received are converted to flags, ratios, and residuals in order to evaluate performance and detect errors. Various programs developed to support navigation validation are explained. A number of events that occurred with the Space Shuttle's navigation system are described.

  4. Space Shuttle navigation validation

    NASA Technical Reports Server (NTRS)

    Ragsdale, A.

    1985-01-01

    The validation of the guidance, navigation, and control system of the Space Shuttle is explained. The functions of the ascent, on-board, and entry mission phases software of the navigation system are described. The common facility testing, which evaluates the simulations to be used in the navigation validation, is examined. The standard preflight analysis of the operational modes of the navigation software and the post-flight navigation analysis are explained. The conversion of the data into a useful reference frame and the use of orbit parameters in the analysis of the data are discussed. Upon entry the data received are converted to flags, ratios, and residuals in order to evaluate performance and detect errors. Various programs developed to support navigation validation are explained. A number of events that occurred with the Space Shuttle's navigation system are described.

  5. Base Flow Model Validation

    NASA Technical Reports Server (NTRS)

    Sinha, Neeraj; Brinckman, Kevin; Jansen, Bernard; Seiner, John

    2011-01-01

    A method was developed of obtaining propulsive base flow data in both hot and cold jet environments, at Mach numbers and altitude of relevance to NASA launcher designs. The base flow data was used to perform computational fluid dynamics (CFD) turbulence model assessments of base flow predictive capabilities in order to provide increased confidence in base thermal and pressure load predictions obtained from computational modeling efforts. Predictive CFD analyses were used in the design of the experiments, available propulsive models were used to reduce program costs and increase success, and a wind tunnel facility was used. The data obtained allowed assessment of CFD/turbulence models in a complex flow environment, working within a building-block procedure to validation, where cold, non-reacting test data was first used for validation, followed by more complex reacting base flow validation.

  6. Shift Verification and Validation

    SciTech Connect

    Pandya, Tara M.; Evans, Thomas M.; Davidson, Gregory G; Johnson, Seth R.; Godfrey, Andrew T.

    2016-09-07

    This documentation outlines the verification and validation of Shift for the Consortium for Advanced Simulation of Light Water Reactors (CASL). Five main types of problems were used for validation: small criticality benchmark problems; full-core reactor benchmarks for light water reactors; fixed-source coupled neutron-photon dosimetry benchmarks; depletion/burnup benchmarks; and full-core reactor performance benchmarks. We compared Shift results to measured data and other simulated Monte Carlo radiation transport code results, and found very good agreement in a variety of comparison measures. These include prediction of critical eigenvalue, radial and axial pin power distributions, rod worth, leakage spectra, and nuclide inventories over a burn cycle. Based on this validation of Shift, we are confident in Shift to provide reference results for CASL benchmarking.

  7. Validating Software Metrics

    DTIC Science & Technology

    1990-09-30

    validation test: Spearman Rank Correlation and Wald - Wolfowitz Runs Test (test for randomness) (5,8]. For example, if a complexity metric is claimed to be... error count (E). Validity Criteria Select values of V, B, A, and P. The values of V, B, A, and P, used in the example are .7, .7, 20%, and 80...Procedures with no errors Average rank of first group = 85.2419 based on 31 values . Average rank of second group = 45.5 based on 81 values . Large sample test

  8. Crystal Growth Control

    NASA Technical Reports Server (NTRS)

    Duval, Walter M. B.; Batur, Celal; Bennett, Robert J.

    1997-01-01

    We present an innovative design of a vertical transparent multizone furnace which can operate in the temperature range of 25 C to 750 C and deliver thermal gradients of 2 C/cm to 45 C/cm for the commercial applications to crystal growth. The operation of the eight zone furnace is based on a self-tuning temperature control system with a DC power supply for optimal thermal stability. We show that the desired thermal profile over the entire length of the furnace consists of a functional combination of the fundamental thermal profiles for each individual zone obtained by setting the set-point temperature for that zone. The self-tuning system accounts for the zone to zone thermal interactions. The control system operates such that the thermal profile is maintained under thermal load, thus boundary conditions on crystal growth ampoules can be predetermined prior to crystal growth. Temperature profiles for the growth of crystals via directional solidification, vapor transport techniques, and multiple gradient applications are shown to be easily implemented. The unique feature of its transparency and ease of programming thermal profiles make the furnace useful for scientific and commercial applications for the determination of process parameters to optimize crystal growth conditions.

  9. Introduction to protein crystallization

    PubMed Central

    McPherson, Alexander; Gavira, Jose A.

    2014-01-01

    Protein crystallization was discovered by chance about 150 years ago and was developed in the late 19th century as a powerful purification tool and as a demonstration of chemical purity. The crystallization of proteins, nucleic acids and large biological complexes, such as viruses, depends on the creation of a solution that is supersaturated in the macromolecule but exhibits conditions that do not significantly perturb its natural state. Supersaturation is produced through the addition of mild precipitating agents such as neutral salts or polymers, and by the manipulation of various parameters that include temperature, ionic strength and pH. Also important in the crystallization process are factors that can affect the structural state of the macromolecule, such as metal ions, inhibitors, cofactors or other conventional small molecules. A variety of approaches have been developed that combine the spectrum of factors that effect and promote crystallization, and among the most widely used are vapor diffusion, dialysis, batch and liquid–liquid diffusion. Successes in macromolecular crystallization have multiplied rapidly in recent years owing to the advent of practical, easy-to-use screening kits and the application of laboratory robotics. A brief review will be given here of the most popular methods, some guiding principles and an overview of current technologies. PMID:24419610

  10. Crystal Ball Functional Model

    NASA Astrophysics Data System (ADS)

    Plotnick, David

    2016-09-01

    The A2 collaboration of the MAinz MIkrotron is dedicated to studying meson production and nucleon structure and behavior via photon scattering. The photons are made via bremsstrahlung process and energy-tagged using the Glasgow Photon tagger. The photon beam then interacts in a variety of targets: cryogenic, polarized or solid state, and scattered particles deposit their energy within the NaI crystals. Scintillators are able to give results on particles energy and time. Events are reconstructed by combining information from the Tagging spectrometer, the Crystal Ball detector, the TAPS forward wall spectrometer, a Cherenkov detector, and multi-wire proportional chambers. To better understand the detector and experimental events, a live display was built to show energies deposited in crystals in real-time. In order to show a range of energies and particles, addressable LEDs that are individually programmable were used. To best replicate the Crystal Ball, 3D printing technology was employed to build a similar highly segmented icosahedron that can hold each LED, creating a 3D representation of what photons see during experiments. The LEDs were controlled via Arduino microcontroller. Finally, we implemented the Experimental Physics and Industrial Control System to grab live event data, and a simple program converts this data in to color and crystal number data that is able to communicate with the Arduino. Using these simple parts, we can better visualize and understand the tools used in nuclear physics. This material is based upon work supported by the National Science Foundation Grant No. IIA-1358175.

  11. An analytical model for porous single crystals with ellipsoidal voids

    NASA Astrophysics Data System (ADS)

    Mbiakop, A.; Constantinescu, A.; Danas, K.

    2015-11-01

    A rate-(in)dependent constitutive model for porous single crystals with arbitrary crystal anisotropy (e.g., FCC, BCC, HCP, etc.) containing general ellipsoidal voids is developed. The proposed model, denoted as modified variational model (MVAR), is based on the nonlinear variational homogenization method, which makes use of a linear comparison porous material to estimate the response of the nonlinear porous single crystal. Periodic multi-void finite element simulations are used in order to validate the MVAR for a large number of parameters including cubic (FCC, BCC) and hexagonal (HCP) crystal anisotropy, various creep exponents (i.e., nonlinearity), several stress triaxiality ratios, general void shapes and orientations and various porosity levels. The MVAR model, which involves a priori no calibration parameters, is found to be in good agreement with the finite element results for all cases considered in the rate-dependent context. The model is then used in a predictive manner to investigate the complex response of porous single crystals in several cases with strong coupling between the anisotropy of the crystal and the (morphological) anisotropy induced by the shape and orientation of the voids. Finally, a simple way of calibrating the MVAR with just two adjustable parameters is depicted in the rate-independent context so that an excellent agreement with the FE simulation results is obtained. In this last case, this proposed model can be thought as a generalization of the Gurson model in the context of porous single crystals and general ellipsoidal void shapes and orientations.

  12. Protein Crystals and their Growth

    NASA Technical Reports Server (NTRS)

    Chernov, A. A.

    2004-01-01

    Recent results on binding between protein molecules in crystal lattice, crystal-solution surface energy, elastic properties and strength and spontaneous crystal cracking are reviewed and discussed in the first half of this paper (Sea 2-4). In the second par&, some basic approaches to solubility of proteins are followed by overview on crystal nucleation and growth (Sec 5). It is argued that variability of mixing in batch crystallization may be a source for scattering of crystal number ultimately appearing in the batch. Frequency at which new molecules join crystal lattice is measured by kinetic coefficient and related to the observable crystal growth rate. Numerical criteria to discriminate diffusion and kinetic limited growth are discussed on this basis in Sec 7. In Sec 8, creation of defects is discussed with the emphasis on the role of impurities and convection on macromolecular crystal I;erfection.

  13. Flexible ferroelectric organic crystals

    PubMed Central

    Owczarek, Magdalena; Hujsak, Karl A.; Ferris, Daniel P.; Prokofjevs, Aleksandrs; Majerz, Irena; Szklarz, Przemysław; Zhang, Huacheng; Sarjeant, Amy A.; Stern, Charlotte L.; Jakubas, Ryszard; Hong, Seungbum; Dravid, Vinayak P.; Stoddart, J. Fraser

    2016-01-01

    Flexible organic materials possessing useful electrical properties, such as ferroelectricity, are of crucial importance in the engineering of electronic devices. Up until now, however, only ferroelectric polymers have intrinsically met this flexibility requirement, leaving small-molecule organic ferroelectrics with room for improvement. Since both flexibility and ferroelectricity are rare properties on their own, combining them in one crystalline organic material is challenging. Herein, we report that trisubstituted haloimidazoles not only display ferroelectricity and piezoelectricity—the properties that originate from their non-centrosymmetric crystal lattice—but also lend their crystalline mechanical properties to fine-tuning in a controllable manner by disrupting the weak halogen bonds between the molecules. This element of control makes it possible to deliver another unique and highly desirable property, namely crystal flexibility. Moreover, the electrical properties are maintained in the flexible crystals. PMID:27734829

  14. Photonic Crystal Microchip Laser

    NASA Astrophysics Data System (ADS)

    Gailevicius, Darius; Koliadenko, Volodymyr; Purlys, Vytautas; Peckus, Martynas; Taranenko, Victor; Staliunas, Kestutis

    2016-09-01

    The microchip lasers, being very compact and efficient sources of coherent light, suffer from one serious drawback: low spatial quality of the beam strongly reducing the brightness of emitted radiation. Attempts to improve the beam quality, such as pump-beam guiding, external feedback, either strongly reduce the emission power, or drastically increase the size and complexity of the lasers. Here it is proposed that specially designed photonic crystal in the cavity of a microchip laser, can significantly improve the beam quality. Experiments show that a microchip laser, due to spatial filtering functionality of intracavity photonic crystal, improves the beam quality factor M2 reducing it by a factor of 2, and increase the brightness of radiation by a factor of 3. This comprises a new kind of laser, the “photonic crystal microchip laser”, a very compact and efficient light source emitting high spatial quality high brightness radiation.

  15. Photonic Crystal Microchip Laser.

    PubMed

    Gailevicius, Darius; Koliadenko, Volodymyr; Purlys, Vytautas; Peckus, Martynas; Taranenko, Victor; Staliunas, Kestutis

    2016-09-29

    The microchip lasers, being very compact and efficient sources of coherent light, suffer from one serious drawback: low spatial quality of the beam strongly reducing the brightness of emitted radiation. Attempts to improve the beam quality, such as pump-beam guiding, external feedback, either strongly reduce the emission power, or drastically increase the size and complexity of the lasers. Here it is proposed that specially designed photonic crystal in the cavity of a microchip laser, can significantly improve the beam quality. Experiments show that a microchip laser, due to spatial filtering functionality of intracavity photonic crystal, improves the beam quality factor M(2) reducing it by a factor of 2, and increase the brightness of radiation by a factor of 3. This comprises a new kind of laser, the "photonic crystal microchip laser", a very compact and efficient light source emitting high spatial quality high brightness radiation.

  16. Flexible ferroelectric organic crystals

    NASA Astrophysics Data System (ADS)

    Owczarek, Magdalena; Hujsak, Karl A.; Ferris, Daniel P.; Prokofjevs, Aleksandrs; Majerz, Irena; Szklarz, Przemysław; Zhang, Huacheng; Sarjeant, Amy A.; Stern, Charlotte L.; Jakubas, Ryszard; Hong, Seungbum; Dravid, Vinayak P.; Stoddart, J. Fraser

    2016-10-01

    Flexible organic materials possessing useful electrical properties, such as ferroelectricity, are of crucial importance in the engineering of electronic devices. Up until now, however, only ferroelectric polymers have intrinsically met this flexibility requirement, leaving small-molecule organic ferroelectrics with room for improvement. Since both flexibility and ferroelectricity are rare properties on their own, combining them in one crystalline organic material is challenging. Herein, we report that trisubstituted haloimidazoles not only display ferroelectricity and piezoelectricity--the properties that originate from their non-centrosymmetric crystal lattice--but also lend their crystalline mechanical properties to fine-tuning in a controllable manner by disrupting the weak halogen bonds between the molecules. This element of control makes it possible to deliver another unique and highly desirable property, namely crystal flexibility. Moreover, the electrical properties are maintained in the flexible crystals.

  17. Photonic Crystal Microchip Laser

    PubMed Central

    Gailevicius, Darius; Koliadenko, Volodymyr; Purlys, Vytautas; Peckus, Martynas; Taranenko, Victor; Staliunas, Kestutis

    2016-01-01

    The microchip lasers, being very compact and efficient sources of coherent light, suffer from one serious drawback: low spatial quality of the beam strongly reducing the brightness of emitted radiation. Attempts to improve the beam quality, such as pump-beam guiding, external feedback, either strongly reduce the emission power, or drastically increase the size and complexity of the lasers. Here it is proposed that specially designed photonic crystal in the cavity of a microchip laser, can significantly improve the beam quality. Experiments show that a microchip laser, due to spatial filtering functionality of intracavity photonic crystal, improves the beam quality factor M2 reducing it by a factor of 2, and increase the brightness of radiation by a factor of 3. This comprises a new kind of laser, the “photonic crystal microchip laser”, a very compact and efficient light source emitting high spatial quality high brightness radiation. PMID:27683066

  18. Frequency doubling crystals

    DOEpatents

    Wang, Francis; Velsko, Stephan P.

    1989-01-01

    A systematic approach to the production of frequency conversion crystals is described in which a chiral molecule has attached to it a "harmonic generating unit" which contributes to the noncentrosymmetry of the molecule. Certain preferred embodiments of such harmonic generating units include carboxylate, guanadyly and imidazolyl units. Certain preferred crystals include L-arginine fluoride, deuterated L-arginine fluoride, L-arginine chloride monohydrate, L-arginine acetate, dithallium tartrate, ammonium N-acetyl valine, N-acetyl tyrosine and N-acetyl hydroxyproline. Chemical modifications of the chiral molecule, such as deuteration, halogenation and controlled counterion substitution are available to adapt the dispersive properties of a crystal in a particular wavelength region.

  19. Microgravity crystal growth

    NASA Technical Reports Server (NTRS)

    2001-01-01

    Advanced finite element models are used to study three-dimensional, time-dependent flow and segregation in crystal growth systems. In this image of a prototypical model for melt and crystal growth, pathlines at one instant in time are shown for the flow of heated liquid silicon in a cylindrical container. The container is subjected to g-jitter disturbances along the vertical axis. A transverse magnetic field is applied to control them. Such computations are extremely powerful for understanding melt growth in microgravity where g-jitter drives buoyant flows. The simulation is part of the Theoretical Analysis of 3D, Transient Convection and Segregation in Microgravity Bridgman Crystal Growth investigation by Dr. Jeffrey J. Derby of the University of Mirnesota, Minneapolis.

  20. Validity and Measurement

    ERIC Educational Resources Information Center

    Maraun, Michael D.

    2012-01-01

    As illuminated forcefully by Professor Newton's provocative analytical and historical excursion, as long as tests are employed to practical ends (prediction, selection, etc.) there is little cause for the metatheoretic angst that occasions rounds of papers on the topic of validity. But then, also, there seems little need, within this context of…

  1. Land Product Validation

    NASA Technical Reports Server (NTRS)

    Morisette, Jeffrey; Smith, David E. (Technical Monitor)

    2002-01-01

    The "Land Product Validation" (LPV) subgroup of the Committee on Earth Observing Satellites Working on Group on Calibration and Validation was formed in 2000. Goals of the LPV subgroup are: (1)to increase the quality and economy of global satellite product validation via developing and promoting international standards and protocols for field sampling, scaling, error budgeting, data exchange and product evaluation, and (2) to advocate mission-long validation programs for current and future earth observing satellites. First-round LPV activities will compliment the research themes of the Global Observation of Forest Cover (GOFC) program, which are: biophysical products, fire/burn scar detection, and land cover mapping. Meetings in June and July of 2001 focused on the first two themes. The GOFC "Forest Cover Characteristics and Changes" meeting provides a forum to initiate LPV activities related to Land Cover. The presentation will start with a summary of the LPV subgroup and its current activities. This will be followed by an overview of areas for potential coordination between the LPV and the GOFC Land Cover Theme.

  2. The Chimera of Validity

    ERIC Educational Resources Information Center

    Baker, Eva L.

    2013-01-01

    Background/Context: Education policy over the past 40 years has focused on the importance of accountability in school improvement. Although much of the scholarly discourse around testing and assessment is technical and statistical, understanding of validity by a non-specialist audience is essential as long as test results drive our educational…

  3. "Validation": Mobilisation and Disciplination

    ERIC Educational Resources Information Center

    Andersson, Per

    2006-01-01

    This article presents an empirical example of what a process of mobilisation and disciplination could mean in practice. The example is taken from a "validation" initiative (recognition of prior learning) among a small group of unemployed people in Sweden. An ethnographic approach means that data were collected, mainly through…

  4. Domain Validity and Generalizability

    ERIC Educational Resources Information Center

    Kaiser, Henry F.; Michael, William B.

    1975-01-01

    An alternative derivation of Tryon's basic formula for the coefficient of domain validity or the coefficient of generalizability developed by Cronbach, Rajaratnam, and Glaser is provided. This derivation, which is also the generalized Kuder-Richardson coefficient, requires a relatively minimal number of assumptions compared with that in previously…

  5. Simulations of a protein crystal: Explicit treatment of crystallization conditions links theory and experiment in the streptavidin-biotin complex

    PubMed Central

    Cerutti, David S.; Le Trong, Isolde; Stenkamp, Ronald E.; Lybrand, Terry P.

    2009-01-01

    A 250ns molecular dynamics simulation of the biotin-liganded streptavidin crystal lattice, including cryo-protectant molecules and crystallization salts, is compared to a 250ns simulation of the lattice solvated with pure water. The simulation using detailed crystallization conditions preserves the initial X-ray structure better than the simulation using pure water, even though the protein molecules display comparable mobility in either simulation. Atomic fluctuations computed from the simulation with crystallization conditions closely reproduce fluctuations derived from experimental temperature factors (correlation coefficient 0.88, omitting two N-terminal residues with very high experimental B-factors). In contrast, fluctuations calculated from the simulation with pure water were less accurate, particularly for two of the streptavidin loops exposed to solvent in the crystal lattice. Finally, we obtain good agreement between the water and cryo-protectant densities obtained from the simulated crystallization conditions and the electron density due to solvent molecules in the X-ray structure. Our results suggest that detailed lattice simulations with realistic crystallization conditions can be used to assess potential function parameters, validate simulation protocols, and obtain valuable insights that solution-phase simulations do not easily provide. We anticipate that this will prove to be a powerful strategy for molecular dynamics simulations of biomolecules. PMID:18950193

  6. FRACTIONAL CRYSTALLIZATION FEED ENVELOPE

    SciTech Connect

    HERTING DL

    2008-03-19

    Laboratory work was completed on a set of evaporation tests designed to establish a feed envelope for the fractional crystallization process. The feed envelope defines chemical concentration limits within which the process can be operated successfully. All 38 runs in the half-factorial design matrix were completed successfully, based on the qualitative definition of success. There is no feed composition likely to be derived from saltcake dissolution that would cause the fractional crystallization process to not meet acceptable performance requirements. However, some compositions clearly would provide more successful operation than other compositions.

  7. Protein Crystal Malic Enzyme

    NASA Technical Reports Server (NTRS)

    1992-01-01

    Malic Enzyme is a target protein for drug design because it is a key protein in the life cycle of intestinal parasites. After 2 years of effort on Earth, investigators were unable to produce any crystals that were of high enough quality and for this reason the structure of this important protein could not be determined. Crystals obtained from one STS-50 were of superior quality allowing the structure to be determined. This is just one example why access to space is so vital for these studies. Principal Investigator is Larry DeLucas.

  8. Protein Crystal Quality Studies

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Eddie Snell (standing), Post-Doctoral Fellow the National Research Council (NRC),and Marc Pusey of Marshall Space Flight Center (MSFC) use a reciprocal space mapping diffractometer for marcromolecular crystal quality studies. The diffractometer is used in mapping the structure of marcromolecules such as proteins to determine their structure and thus understand how they function with other proteins in the body. This is one of several analytical tools used on proteins crystalized on Earth and in space experiments. Photo credit: NASA/Marshall Space Flight Center (MSFC)

  9. EOS Terra Validation Program

    NASA Technical Reports Server (NTRS)

    Starr, David

    2000-01-01

    The EOS Terra mission will be launched in July 1999. This mission has great relevance to the atmospheric radiation community and global change issues. Terra instruments include Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER), Clouds and Earth's Radiant Energy System (CERES), Multi-Angle Imaging Spectroradiometer (MISR), Moderate Resolution Imaging Spectroradiometer (MODIS) and Measurements of Pollution in the Troposphere (MOPITT). In addition to the fundamental radiance data sets, numerous global science data products will be generated, including various Earth radiation budget, cloud and aerosol parameters, as well as land surface, terrestrial ecology, ocean color, and atmospheric chemistry parameters. Significant investments have been made in on-board calibration to ensure the quality of the radiance observations. A key component of the Terra mission is the validation of the science data products. This is essential for a mission focused on global change issues and the underlying processes. The Terra algorithms have been subject to extensive pre-launch testing with field data whenever possible. Intensive efforts will be made to validate the Terra data products after launch. These include validation of instrument calibration (vicarious calibration) experiments, instrument and cross-platform comparisons, routine collection of high quality correlative data from ground-based networks, such as AERONET, and intensive sites, such as the SGP ARM site, as well as a variety field experiments, cruises, etc. Airborne simulator instruments have been developed for the field experiment and underflight activities including the MODIS Airborne Simulator (MAS) AirMISR, MASTER (MODIS-ASTER), and MOPITT-A. All are integrated on the NASA ER-2 though low altitude platforms are more typically used for MASTER. MATR is an additional sensor used for MOPITT algorithm development and validation. The intensive validation activities planned for the first year of the Terra

  10. Dynamically controlled crystallization method and apparatus and crystals obtained thereby

    NASA Technical Reports Server (NTRS)

    Arnowitz, Leonard (Inventor); Steinberg, Emanuel (Inventor)

    1999-01-01

    A method and apparatus for dynamically controlling the crystallization of proteins including a crystallization chamber or chambers for holding a protein in a salt solution, one or more salt solution chambers, two communication passages respectively coupling the crystallization chamber with each of the salt solution chambers, and transfer mechanisms configured to respectively transfer salt solution between each of the salt solution chambers and the crystallization chamber. The transfer mechanisms are interlocked to maintain the volume of salt solution in the crystallization chamber substantially constant. Salt solution of different concentrations is transferred into and out of the crystallization chamber to adjust the salt concentration in the crystallization chamber to achieve precise control of the crystallization process.

  11. Functionalizing Designer DNA Crystals

    NASA Astrophysics Data System (ADS)

    Chandrasekaran, Arun Richard

    Three-dimensional crystals have been self-assembled from a DNA tensegrity triangle via sticky end interaction. The tensegrity triangle is a rigid DNA motif containing three double helical edges connected pair-wise by three four-arm junctions. The symmetric triangle contains 3 unique strands combined in a 3:3:1 ratio: 3 crossover, 3 helical and 1 central. The length of the sticky end reported previously was two nucleotides (nt) (GA:TC) and the motif with 2-helical turns of DNA per edge diffracted to 4.9 A at beam line NSLS-X25 and to 4 A at beam line ID19 at APS. The purpose of these self-assembled DNA crystals is that they can be used as a framework for hosting external guests for use in crystallographic structure solving or the periodic positioning of molecules for nanoelectronics. This thesis describes strategies to improve the resolution and to incorporate guests into the 3D lattice. The first chapter describes the effect of varying sticky end lengths and the influence of 5'-phosphate addition on crystal formation and resolution. X-ray diffraction data from beam line NSLS-X25 revealed that the crystal resolution for 1-nt (G:C) sticky end was 3.4 A. Motifs with every possible combination of 1-nt and 2-nt sticky-ended phosphorylated strands were crystallized and X-ray data were collected. The position of the 5'-phosphate on either the crossover (strand 1), helical (strand 2), or central strand (3) had an impact on the resolution of the self-assembled crystals with the 1-nt 1P-2-3 system diffracting to 2.62 A at APS and 3.1 A at NSLS-X25. The second chapter describes the sequence-specific recognition of DNA motifs with triplex-forming oligonucleotides (TFOs). This study examined the feasibility of using TFOs to bind to specific locations within a 3-turn DNA tensegrity triangle motif. The TFO 5'-TTCTTTCTTCTCT was used to target the tensegrity motif containing an appropriately embedded oligopurine.oligopyrimidine binding site. As triplex formation involving cytidine

  12. Exotic crystal superstructures of colloidal crystals in confinement.

    PubMed

    Fontecha, Ana Barreira; Schöpe, Hans Joachim

    2008-06-01

    Colloidal model systems have been used for over three decades for investigating liquids, crystals, and glasses. Colloidal crystal superstructures have been observed in binary systems of repulsive spheres as well as oppositely charged sphere systems showing structures well known from atomic solids. In this work we study the structural transition of colloidal crystals under confinement. In addition to the known sequence of crystalline structures, crystal superstructures with dodecagonal and hexagonal symmetry are observed in one component systems. These structures have no atomic counterpart.

  13. Validation and correction of Zn–CysxHisy complexes

    PubMed Central

    Touw, Wouter G.; van Beusekom, Bart; Evers, Jochem M. G.; Vriend, Gert; Joosten, Robbie P.

    2016-01-01

    Many crystal structures in the Protein Data Bank contain zinc ions in a geometrically distorted tetrahedral complex with four Cys and/or His ligands. A method is presented to automatically validate and correct these zinc complexes. Analysis of the corrected zinc complexes shows that the average Zn–Cys distances and Cys–Zn–Cys angles are a function of the number of cysteines and histidines involved. The observed trends can be used to develop more context-sensitive targets for model validation and refinement. PMID:27710932

  14. On the formulation of a crystal plasticity model.

    SciTech Connect

    Marin, Esteban B.

    2006-08-01

    This report presents the formulation of a crystal elasto-viscoplastic model and the corresponding integration scheme. The model is suitable to represent the isothermal, anisotropic, large deformation of polycrystalline metals. The formulation is an extension of a rigid viscoplastic model to account for elasticity effects, and incorporates a number of changes with respect to a previous formulation [Marin & Dawson, 1998]. This extension is formally derived using the well-known multiplicative decomposition of the deformation gradient into an elastic and plastic components, where the elastic part is additionally decomposed into the elastic stretch V{sup e} and the proper orthogonal R{sup e} tensors. The constitutive equations are written in the intermediate, stress-free configuration obtained by unloading the deformed crystal through the elastic stretch V{sup e-}. The model is framed in a thermodynamic setting, and developed initially for large elastic strains. The crystal equations are then specialized to the case of small elastic strains, an assumption typically valid for metals. The developed integration scheme is implicit and proceeds by separating the spherical and deviatoric crystal responses. An ''approximate'' algorithmic material moduli is also derived for applications in implicit numerical codes. The model equations and their integration procedure have been implemented in both a material point simulator and a commercial finite element code. Both implementations are validated by solving a number of examples involving aggregates of either face centered cubic (FCC) or hexagonal close-packed (HCP) crystals subjected to different loading paths.

  15. REFINEMENT OF THE CRYSTAL STRUCTURE OF GUANIDINIUM ALUMINUM SULFATE HEXAHYDRATE.

    DTIC Science & Technology

    FERROELECTRIC CRYSTALS, * CRYSTAL STRUCTURE ), (*GUANIDINES, CRYSTAL STRUCTURE ), (*ALUMINUM COMPOUNDS, CRYSTAL STRUCTURE ), SULFATES, HYDRATES, X RAY DIFFRACTION, CHROMIUM COMPOUNDS, CRYSTAL LATTICES, CHEMICAL BONDS

  16. MERIS Land Products Validation

    NASA Astrophysics Data System (ADS)

    Ramon, D.; Santer, R.; Dilligeard, E.; Jolivet, D.; Vidot, J.

    2004-05-01

    Over land, the aerosol remote sensing is based on the observation of Dense Dark Vegetation (DDV) and this concept is applied on MERIS with a spectral index (ARVI, Atmospherically Resistant Vegetation Index) to detect the DDV and the use of the bands at 412, 443 and 670 nm to characterize the aerosols. The aerosol size distribution is assumed to follow the Junge law while the aerosol refractive index is set to 1.44. The aerosol product consists on the aerosol optical thickness (AOT) at 865 nm and on the spectral dependence of the aerosol path radiance (Epsilon coefficient ɛ which is the ratio of the aerosol reflectance at 765 nm to that at 865 nm). The validation exercise is mostly based on the use of ground based optical measurements from the AERONET network. A classical validation of the aerosol product is conducted using the extinction measurements. A deeper validation is done in order to investigate the different assumptions used in the aerosol remote sensing module by: (i) using the ground based measurements to validate the DDV reflectance model. Atmospheric correction will be done, including the aerosols, to derive DDV reflectances for comparison to standard values. (ii) using the ground based measurements to validate the choice of the Junge size distribution by comparing the simulated radiances with this model to the measurements in the principal plane. The AOT at 865 nm is badly retrieved because of the inaccuracy of the DDV reflectance model in the red whereas the AOT at 443 nm is in good agreement with AERONET data and accuracy is comparable to what is achieved by MODIS over comparable sites. The Junge size distribution is well adapted for the representation of aerosols optical properties. The main algorithm improvement we recommend consists in introducing a dynamical DDV reflectance model that is a reflectance which varies with the ARVI of the target. Under clear sky conditions, the surface pressure is a level-2 MERIS product based on a two band ratio

  17. DIFFRACTION FROM MODEL CRYSTALS

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Although calculating X-ray diffraction patterns from atomic coordinates of a crystal structure is a widely available capability, calculation from non-periodic arrays of atoms has not been widely applied to cellulose. Non-periodic arrays result from modeling studies that, even though started with at...

  18. Crystal forms of naproxen.

    PubMed

    Song, Jung-Soon; Sohn, Young-Taek

    2011-01-01

    The objective of this work was to investigate the existence of polymorphs and pseudopolymorphs of naproxen and the transformation of crystal forms. Four crystal forms of naproxen have been isolated by recrystallization and characterized by differential scanning calorimetry, powder X-ray diffractometry and thermogravimetric analysis. The differential scanning calorimetry and powder X-ray diffractometry patterns of the four crystal forms were different respectively. In the dissolution studies in pH 6.8 ± 0.05 buffer equilibrated at 37 ± 0.5°C, the solubility of four crystal forms was similar (within the error range). After storage of 1 month at 0% RH (silica gel, 20°C), 52% RH (saturated solution of Na(2)Cr(2)O(7.2)H(2)O/20°C) and 95% RH (saturated solution of Na(2)HPO(4)/20°C), Form 2 and Form 4 were transformed to Form 1, but Form 3 and Form 1 were not transformed and they were shown to have a good physical stability at room temperature for 1 month.

  19. Pyrrolidinium ionic liquid crystals.

    PubMed

    Goossens, Karel; Lava, Kathleen; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Driesen, Kris; Görller-Walrand, Christiane; Binnemans, Koen; Cardinaels, Thomas

    2009-01-01

    N-alkyl-N-methylpyrrolidinium cations have been used for the design of ionic liquid crystals, including a new type of uranium-containing metallomesogen. Pyrrolidinium salts with bromide, bis(trifluoromethylsulfonyl)imide, tetrafluoroborate, hexafluorophosphate, thiocyanate, tetrakis(2- thenoyltrifluoroacetonato)europate(III) and tetrabromouranyl counteranions were prepared. For the bromide salts and tetrabromouranyl compounds, the chain length of the alkyl group C(n)H(2n+1) was varied from eight to twenty carbon atoms (n = 8, 10-20). The compounds show rich mesomorphic behaviour: highly ordered smectic phases (the crystal smectic E phase and the uncommon crystal smectic T phase), smectic A phases, and hexagonal columnar phases were observed, depending on chain length and anion. This work gives better insight into the nature and formation of the crystal smectic T phase, and the molecular requirements for the appearance of this highly ordered phase. This uncommon tetragonal mesophase is thoroughly discussed on the basis of detailed powder X-ray diffraction experiments and in relation to the existing literature. Structural models are proposed for self-assembly of the molecules within the smectic layers. In addition, the photophysical properties of the compounds containing a metal complex anion were investigated. For the uranium-containing mesogens, luminescence can be induced by dissolving them in an ionic liquid matrix. The europium-containing compound shows intense red photoluminescence with high colour purity.

  20. Laser schlieren crystal monitor

    NASA Technical Reports Server (NTRS)

    Owen, Robert B. (Inventor); Johnston, Mary H. (Inventor)

    1987-01-01

    A system and method for monitoring the state of a crystal which is suspended in a solution is described which includes providing a light source for emitting a beam of light along an optical axis. A collimating lens is arranged along the optical axis for collimating the emitted beam to provide a first collimated light beam consisting of parallel light rays. By passing the first collimated light beam through a transparent container, a number of the parallel light rays are deflected off the surfaces of said crystal being monitored according to the refractive index gradient to provide a deflected beam of deflected light rays. A focusing lens is arranged along optical axis for focusing the deflected rays towards a desired focal point. A knife edge is arranged in a predetermined orientation at the focal point; and a screen is provided. A portion of the deflected beam is blocked with the knife edge to project only a portion of the deflected beam. A band is created at one edge of the image of the crystal which indicates the state of change of the surface of the crystal being monitored.

  1. Ferroelectric liquid crystal display

    NASA Technical Reports Server (NTRS)

    York, Paul K. (Inventor)

    1977-01-01

    A ferroelectric liquid crystal display device employs capacitance spoiling layers to minimize unneeded capacitances created by crossovers of X and Y address lines and to accurately define desired capacitances. The spoiler layers comprise low dielectric constant layers which space electrodes from the ferroelectric at crossover points where capacitance is not needed for device operation.

  2. The Crystal Set

    ERIC Educational Resources Information Center

    Greenslade, Thomas B., Jr.

    2014-01-01

    In past issues of this journal, the late H. R. Crane wrote a long series of articles under the running title of "How Things Work." In them, Dick dealt with many questions that physics teachers asked themselves, but did not have the time to answer. This article is my attempt to work through the physics of the crystal set, which I thought…

  3. Protein Crystal Bovine Insulin

    NASA Technical Reports Server (NTRS)

    1991-01-01

    The comparison of protein crystal, Bovine Insulin space-grown (left) and earth-grown (right). Facilitates the incorporation of glucose into cells. In diabetics, there is either a decrease in or complete lack of insulin, thereby leading to several harmful complications. Principal Investigator is Larry DeLucas.

  4. Poet Lake Crystal Approval

    EPA Pesticide Factsheets

    This September 19, 2016 letter from EPA approves the petition from Poet Biorefining-Lake Crystal, regarding non-grandfathered ethanol produced through a dry mill process, qualifying under the Clean Air Act for renewable fuel (D-code 6) RINs under the RFS

  5. Crystal Ball Replica

    NASA Astrophysics Data System (ADS)

    Ajamian, John

    2016-09-01

    The A2 collaboration of the Institute for Nuclear Physics of Johannes Gutenberg University performs research on (multiple) meson photoproduction and nucleon structure and dynamics using a high energy polarized photon beam at specific targets. Particles scattered from the target are detected in the Crystal Ball, or CB. The CB is composed of 672 NaI crystals that surround the target and can analyze particle type and energy of ejected particles. Our project was to create a replica of the CB that could display what was happening in real time on a 3 Dimensional scale replica. Our replica was constructed to help explain the physics to the general public, be used as a tool when calibrating each of the 672 NaI crystals, and to better analyze the electron showering of particles coming from the target. This poster will focus on the hardware steps necessary to construct the replica and wire the 672 programmable LEDS in such a way that they can be mapped to correspond to the Crystal Ball elements. George Washington NSF Grant.

  6. Controlling Chirality of Entropic Crystals.

    PubMed

    Damasceno, Pablo F; Karas, Andrew S; Schultz, Benjamin A; Engel, Michael; Glotzer, Sharon C

    2015-10-09

    Colloidal crystal structures with complexity and diversity rivaling atomic and molecular crystals have been predicted and obtained for hard particles by entropy maximization. However, thus far homochiral colloidal crystals, which are candidates for photonic metamaterials, are absent. Using Monte Carlo simulations we show that chiral polyhedra exhibiting weak directional entropic forces self-assemble either an achiral crystal or a chiral crystal with limited control over the crystal handedness. Building blocks with stronger faceting exhibit higher selectivity and assemble a chiral crystal with handedness uniquely determined by the particle chirality. Tuning the strength of directional entropic forces by means of particle rounding or the use of depletants allows for reconfiguration between achiral and homochiral crystals. We rationalize our findings by quantifying the chirality strength of each particle, both from particle geometry and potential of mean force and torque diagrams.

  7. Protein crystal growth in microgravity

    NASA Technical Reports Server (NTRS)

    Rosenblum, William M.; Delucas, Lawrence J.; Wilson, William W.

    1989-01-01

    Major advances have been made in several of the experimental aspects of protein crystallography, leaving protein crystallization as one of the few remaining bottlenecks. As a result, it has become important that the science of protein crystal growth is better understood and that improved methods for protein crystallization are developed. Preliminary experiments with both small molecules and proteins indicate that microgravity may beneficially affect crystal growth. For this reason, a series of protein crystal growth experiments using the Space Shuttle was initiated. The preliminary space experiments were used to evolve prototype hardware that will form the basis for a more advanced system that can be used to evaluate effects of gravity on protein crystal growth. Various optical techniques are being utilized to monitor the crystal growth process from the incipient or nucleation stage and throughout the growth phase. The eventual goal of these studies is to develop a system which utilizes optical monitoring for dynamic control of the crystallization process.

  8. Measurement validity in ophthalmology.

    PubMed

    Aslam, Tariq M; Patton, Niall

    2005-04-01

    Measurements in ophthalmic research may be of parameters such as visual functions, quality of life or physical measures and can involve different types of instruments such as questionnaires and mechanical, chemical or electronic devices. Whatever the mode of measurement, however, all these devices require sufficient evidence for validity before inferences can be made on the basis of their findings. This article explores the nature and often overlooked importance of validity and explains some of the terminology involved. It discusses the main forms that ophthalmologists should be aware of before they can assess whether the instruments, old and new, are providing results upon which inferences can be made with any level of confidence. The literature search involved use of Medline, PubMed and Ovid as well as referenced papers in journals and books. Searches were comprehensive and international. Foreign texts were translated.

  9. CIPS Validation Data Plan

    SciTech Connect

    Nam Dinh

    2012-03-01

    This report documents analysis, findings and recommendations resulted from a task 'CIPS Validation Data Plan (VDP)' formulated as an POR4 activity in the CASL VUQ Focus Area (FA), to develop a Validation Data Plan (VDP) for Crud-Induced Power Shift (CIPS) challenge problem, and provide guidance for the CIPS VDP implementation. The main reason and motivation for this task to be carried at this time in the VUQ FA is to bring together (i) knowledge of modern view and capability in VUQ, (ii) knowledge of physical processes that govern the CIPS, and (iii) knowledge of codes, models, and data available, used, potentially accessible, and/or being developed in CASL for CIPS prediction, to devise a practical VDP that effectively supports the CASL's mission in CIPS applications.

  10. Flight code validation simulator

    SciTech Connect

    Sims, B.A.

    1995-08-01

    An End-To-End Simulation capability for software development and validation of missile flight software on the actual embedded computer has been developed utilizing a 486 PC, i860 DSP coprocessor, embedded flight computer and custom dual port memory interface hardware. This system allows real-time interrupt driven embedded flight software development and checkout. The flight software runs in a Sandia Digital Airborne Computer (SANDAC) and reads and writes actual hardware sensor locations in which IMU (Inertial Measurements Unit) data resides. The simulator provides six degree of freedom real-time dynamic simulation, accurate real-time discrete sensor data and acts on commands and discretes from the flight computer. This system was utilized in the development and validation of the successful premier flight of the Digital Miniature Attitude Reference System (DMARS) in January 1995 at the White Sands Missile Range on a two stage attitude controlled sounding rocket.

  11. UTSim2 validation

    NASA Astrophysics Data System (ADS)

    Grandin, Robert; Gray, Tim

    2017-02-01

    The Center for NDE (CNDE) at Iowa State University has a long history of developing physics models for NDE and packaging these models into simulation tools which make the modeling capabilities accessible to CNDEs industrial sponsors. Recent work at CNDE has led to the development of a new ultrasonic simulation package, UTSim2, which aims to continue this tradition of supporting industrial application of CNDE models. In order to meet this goal, UTSim2 has been designed as an extensible software package which can support previously-developed physics models as well as future models yet to be developed. Initial work has focused on the implementation of a Gauss-Hermite beam model, a paraxial approximation, which is implemented as part of the Thompson-Gray measurement model. This paper will present recent validation results and include comparisons against both previously-validated model output and newly-performed experiments.

  12. Self-Validating Thermocouple

    NASA Technical Reports Server (NTRS)

    Perotti, Jose M. (Inventor); Mata, Carlos T. (Inventor); Santiago, Josephine B. (Inventor); Vokrot, Peter (Inventor); Zavala, Carlos E. (Inventor); Burns, Bradley M. (Inventor)

    2010-01-01

    Self-Validating Thermocouple (SVT) Systems capable of detecting sensor probe open circuits, short circuits, and unnoticeable faults such as a probe debonding and probe degradation are useful in the measurement of temperatures. SVT Systems provide such capabilities by incorporating a heating or excitation element into the measuring junction of the thermocouple. By heating the measuring junction and observing the decay time for the detected DC voltage signal, it is possible to indicate whether the thermocouple is bonded or debonded. A change in the thermal transfer function of the thermocouple system causes a change in the rise and decay times of the thermocouple output. Incorporation of the excitation element does not interfere with normal thermocouple operation, thus further allowing traditional validation procedures as well.

  13. Bioculture System Validation

    NASA Technical Reports Server (NTRS)

    Sato, Kevin Y.

    2012-01-01

    The Bioculture System first flight will be to validate the performance of the hardware and its automated and manual operational capabilities in the space flight environment of the International Space Station. Biology, Engineering, and Operations tests will be conducted in the Bioculture System fully characterize its automated and manual functions to support cell culturing for short and long durations. No hypothesis-driven research will be conducted with biological sample, and the science leads have all provided their concurrence that none of the data they collect will be considered as proprietary and can be free distributed to the science community. The outcome of the validation flight will be to commission the hardware for use by the science community. This presentation will provide non-proprietary details about the Bioculture System and information about the activities for the first flight.

  14. Dichroism in Helicoidal Crystals.

    PubMed

    Cui, Xiaoyan; Nichols, Shane M; Arteaga, Oriol; Freudenthal, John; Paula, Froilanny; Shtukenberg, Alexander G; Kahr, Bart

    2016-09-21

    Accounting for the interactions of light with heterogeneous, anisotropic, absorbing, optically active media is part of the characterization of complex, transparent materials. Stained biological structures in thin tissue sections share many of these features, but systematic optical analyses beyond the employ of the simple petrographic microscopes have not be established. Here, this accounting is made for polycrystalline, spherulitic bundles of twisted d-mannitol lamellae grown from melts containing light-absorbing molecules. It has long been known that a significant percentage of molecular crystals readily grow as helicoidal ribbons with mesoscale pitches, but a general appreciation of the commonality of these non-classical crystal forms has been lost. Helicoidal crystal twisting was typically assayed by analyzing refractivity modulation in the petrographic microscope. However, by growing twisted crystals from melts in the presence of dissolved, light-absorbing molecules, crystal twisting can be assayed by analyzing the dichroism, both linear and circular. The term "helicoidal dichroism" is used here to describe the optical consequences of anisotropic absorbers precessing around radii of twisted crystalline fibrils or lamellae. d-Mannitol twists in two polymorphic forms, α and δ. The two polymorphs, when grown from supercooled melts in the presence of a variety of histochemical stains and textile dyes, are strongly dichroic in linearly polarized white light. The bis-azo dye Chicago sky blue is modeled because it is most absorbing when parallel and perpendicular to the radial axes in the respective spherulitic polymorphs. Optical properties were measured using Mueller matrix imaging polarimetry and simulated by taking into account the microstructure of the lamellae. The optical analysis of the dyed, patterned polycrystals clarifies aspects of the mesostructure that can be difficult to extract from bundles of tightly packed fibrils.

  15. Characteristic Time Model Validation

    DTIC Science & Technology

    1988-09-01

    combustors (Rizk and Mongia , 1986). The only practical m.thod for ascertaining the validity of these models it to develop a well defined experimental datum...layer around the recirculation zone found in the primary zone of a gas turbine combustor . Experi- mental results are used to investigate CTM parameters...Length Scale ....................................... 80 4.3.6 Relation of rsglobal to Combustors ............................... 80 4.4 Spray

  16. A metallic photonic crystal high power microwave mode converter

    NASA Astrophysics Data System (ADS)

    Wang, Dong; Qin, Fen; Xu, Sha; Shi, Meiyou

    2013-06-01

    A compact metallic photonic crystal mode converter that converts TEM to TE11 mode for a high power transmission system is presented. Metallic photonic crystal is partially filled along azimuthal direction in the device to divide a single coaxial transmission line into two different partitions with different phase propagation constants for phase-shifting. A three row structure is designed and simulated by commercial software cst microwave studio. Simulation results show that it has high conversion efficiency and the bandwidth is 4.1%. Far-field measurement experiment is carried out and get a typical TE11 mode pattern. The result confirms the validity of the design.

  17. Studies of Cubic Ice Crystals

    DTIC Science & Technology

    1989-12-11

    the nitrate ion concentration in the ice. We hypothesize that Br- was oxidized to bromine (Br2), hypobromous acid (HOBr), or bromic acid (HBr03). The...Crystals grown from solutions of ammonium carbonate at -16°C 35 10 Crystals grown from solutions of sulfuric acid at -16°C 36 11 Ice crystal aspect ratios...elaborate crystals. When we compare this with the results of Workman and Reynolds for acid solutions, which all yielded negligible freezing potentials, we

  18. AMSR Validation Program

    NASA Astrophysics Data System (ADS)

    Lobl, E. S.

    2003-12-01

    AMSR and AMSR-E are passive microwave radiometers built by NASDA in Japan. AMSR flies on ADEOS II, launched December 14 2001, and AMSR-E flies on NASA's Aqua satellite, launched May 4 2001. The Science teams in both countries have developed algorithms to retrieve different atmospheric parameters from the data obtained by these radiometers. The US Science team has developed a Validation plan that involved several campaigns. In fact most of these campaign have taken place this year: 2003, nicknamed the "Golden Year" for AMSR Validation. The first campaign started in January 2003 with the Extra-tropical precipitation campaign, followed by IOP3 for Cold Lands Processes Experiment (CLPX) in Colorado. After the change out of some of the instruments, the Validation program continued with the Arctic Sea Ice campaign based in Alaska, and followed by CLPX IOP 4, back in Colorado. Soil Moisture EXperiment 03 (SMEX03) started in late June in Alabama and Georgia, and then completed in Oklahoma mid-July. The last campaign in this series is AMSR Antarctic Sea Ice (AASI)/SMEX in Brazil. The major goals of each campaign, and very preliminary data will be shown. Most of these campaigns were in collaboration with the Japanese AMSR scientists.

  19. Mars Aerobot Validation Program

    NASA Technical Reports Server (NTRS)

    Kerzhanovich, V. V.; Cutts, J.; Bachelder, A.; Cameron, J.; Patzold, J.; Quadrelli, M.; Yavrouian, A.; Cantrell, J.; Lachenmeier, T.; Smith, M.

    1999-01-01

    The Mars Balloon Validation Program (MABVAP) was initiated in August 1997 to develop and validate key technologies needed for aerobot missions on Mars. The major elements of the program are the development of balloons for flight on Mars, robust techniques for deployment and inflation and modeling and simulation of balloon flight paths. selection, development and tests of available balloon materials, design and fabrication of balloons (both superpressure and solar- heated), design and fabrication of deployment and inflation systems for aerial deployment, design and fabrication of avionics to control deployment/inflation process and to get telemetry and video data. Modeling of main processes during deployment and actual flight is also a part of MABVAP. In order to validate deployment and inflation, MABVAP applies experience from previous Mars balloon development or study activities the Russian-French Mars Aerostat Project (1988-1995), Mars Aerial Platform Study (1994) and Mars Aerobot/Balloon Study (1996). The program includes laboratory, wind tunnel, vacuum chamber tests of the system components and a number of tropospheric and stratospheric flight tests of deployment and inflation of lightfilm balloons in a simulated Martian environment.

  20. Direct flow crystal growth system

    DOEpatents

    Montgomery, Kenneth E.; Milanovich, Fred P.

    1992-01-01

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

  1. Growing Crystals for Infrared Detectors

    NASA Technical Reports Server (NTRS)

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

    1984-01-01

    Unidirectional solidification yields bulk crystals with compositional homogeneity. Unidirectionaly crystal-growth furnace assembly travels vertically so crystal grows upward from bottom tapered end of ampoule. Separately controlled furnaces used for hot (upper) and cold (lower) zones. New process produces ingots with radial compositional homogeneity suitable for fabricating infrared detectors.

  2. Physical vapor transport crystal growth

    NASA Technical Reports Server (NTRS)

    Yoel, Dave W.; Anderson, Elmer; Wu, Maw-Kuen; Cheng, H. Y.

    1987-01-01

    The goals of this research are two-fold: to study effective means of growing ZnSe crystals of good optical quality and to determine the advantages of growing such crystals in microgravity. As of this date the optimal conditions for crystal growth have not been determined. However, successful growth runs were made in two furnances and the results are given.

  3. Chiral Crystallization of Ethylenediamine Sulfate

    ERIC Educational Resources Information Center

    Koby, Lawrence; Ningappa, Jyothi B.; Dakesssian, Maria; Cuccia, Louis A.

    2005-01-01

    The optimal conditions for the crystallization of achiral ethylenediamine sulfate into large chiral crystals that are ideal for polarimetry studies and observation using Polaroid sheets are presented. This experiment is an ideal undergraduate experiment, which clearly demonstrates the chiral crystallization of an achiral molecule.

  4. A Few Good Crystals Please

    NASA Technical Reports Server (NTRS)

    Judge, Russell A.; Snell, Edward H.

    1999-01-01

    Part of the challenge of macromolecular crystal growth for structure determination is obtaining an appropriate number of crystals with a crystal volume suitable for X-ray analysis. In this respect an understanding of the effect of solution conditions on macromolecule nucleation rates is advantageous. This study investigated the effects of solution conditions on the nucleation rate and final crystal size of two crystal systems; tetragonal lysozyme and glucose isomerase. Batch crystallization plates were prepared at given solution concentration and incubated at set temperatures over one week. The number of crystals per well with their size and axial ratios were recorded and correlated with solution conditions. Duplicate experiments indicate the reproducibility of the technique. Results for each system showing the effect of supersaturation, incubation temperature and solution pH on nucleation rates will be presented and discussed. In the case of lysozyme, having optimized solution conditions to produce an appropriate number of crystals of a suitable size, a batch of crystals were prepared under exactly the same conditions. Fifty of these crystals were analyzed by x-ray techniques. The results indicate that even under the same crystallization conditions, a marked variation in crystal properties exists.

  5. Small Business Innovations (Crystal Components)

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Scientific Materials Corporation, Bozeman, MT developed the SciMax line of improved Nd:Yag crystals under an Small Business Innovation Research (SBIR) contract with Langley Research Center. They reduced the amount of water trapped in the crystals during growth to improve the optical quality and efficiency. Applications of the crystals include fiber optics, telecommunications, welding, drilling, eye surgery and medical instrumentation.

  6. Fracture mechanics validity limits

    NASA Technical Reports Server (NTRS)

    Lambert, Dennis M.; Ernst, Hugo A.

    1994-01-01

    Fracture behavior is characteristics of a dramatic loss of strength compared to elastic deformation behavior. Fracture parameters have been developed and exhibit a range within which each is valid for predicting growth. Each is limited by the assumptions made in its development: all are defined within a specific context. For example, the stress intensity parameters, K, and the crack driving force, G, are derived using an assumption of linear elasticity. To use K or G, the zone of plasticity must be small as compared to the physical dimensions of the object being loaded. This insures an elastic response, and in this context, K and G will work well. Rice's J-integral has been used beyond the limits imposed on K and G. J requires an assumption of nonlinear elasticity, which is not characteristic of real material behavior, but is thought to be a reasonable approximation if unloading is kept to a minimum. As well, the constraint cannot change dramatically (typically, the crack extension is limited to ten-percent of the initial remaining ligament length). Rice, et al investigated the properties required of J-type parameters, J(sub x), and showed that the time rate, dJ(sub x)/dt, must not be a function of the crack extension rate, da/dt. Ernst devised the modified-J parameter, J(sub M), that meets this criterion. J(sub M) correlates fracture data to much higher crack growth than does J. Ultimately, a limit of the validity of J(sub M) is anticipated, and this has been estimated to be at a crack extension of about 40-percent of the initial remaining ligament length. None of the various parameters can be expected to describe fracture in an environment of gross plasticity, in which case the process is better described by deformation parameters, e.g., stress and strain. In the current study, various schemes to identify the onset of the plasticity-dominated behavior, i.e., the end of fracture mechanics validity, are presented. Each validity limit parameter is developed in

  7. Excavator Design Validation

    NASA Technical Reports Server (NTRS)

    Pholsiri, Chalongrath; English, James; Seberino, Charles; Lim, Yi-Je

    2010-01-01

    The Excavator Design Validation tool verifies excavator designs by automatically generating control systems and modeling their performance in an accurate simulation of their expected environment. Part of this software design includes interfacing with human operations that can be included in simulation-based studies and validation. This is essential for assessing productivity, versatility, and reliability. This software combines automatic control system generation from CAD (computer-aided design) models, rapid validation of complex mechanism designs, and detailed models of the environment including soil, dust, temperature, remote supervision, and communication latency to create a system of high value. Unique algorithms have been created for controlling and simulating complex robotic mechanisms automatically from just a CAD description. These algorithms are implemented as a commercial cross-platform C++ software toolkit that is configurable using the Extensible Markup Language (XML). The algorithms work with virtually any mobile robotic mechanisms using module descriptions that adhere to the XML standard. In addition, high-fidelity, real-time physics-based simulation algorithms have also been developed that include models of internal forces and the forces produced when a mechanism interacts with the outside world. This capability is combined with an innovative organization for simulation algorithms, new regolith simulation methods, and a unique control and study architecture to make powerful tools with the potential to transform the way NASA verifies and compares excavator designs. Energid's Actin software has been leveraged for this design validation. The architecture includes parametric and Monte Carlo studies tailored for validation of excavator designs and their control by remote human operators. It also includes the ability to interface with third-party software and human-input devices. Two types of simulation models have been adapted: high-fidelity discrete

  8. Crystal Engineering of Hand-Twisted Helical Crystals.

    PubMed

    Saha, Subhankar; Desiraju, Gautam R

    2017-02-08

    A strategy is outlined for the design of hand-twisted helical crystals. The starting point in the exercise is the one-dimensional (1D) plastic crystal, 1,4-dibromobenzene, which is then changed to a 1D elastic crystal, exemplified by 4-bromophenyl 4'-chlorobenzoate, by introduction of a molecular synthon -O-CO- in lieu of the supramolecular synthon Br···Br in the precursor. The 1D elastic crystals are next modified to two-dimensional (2D) elastic crystals, of the type 4-bromophenyl 4'-nitrobenzoate where the halogen bonding and C-H···O hydrogen bonding are well-matched. Finally, varying the interaction strengths in these 2D elastic crystals gives plastic crystals with two pairs of bendable faces but without slip planes. Typical examples are 4-chlorophenyl and 4-bromophenyl 4'-nitrobenzoate. This type of 2D plasticity represents a new type of bendable crystals in which plastic behavior is seen with a fair degree of isotropic character in the crystal packing. The presence of two sets of bendable faces, generally orthogonal to each other, allows for the possibility of hand-twisting of the crystals to give grossly helical morphologies. Accordingly, we propose the name hand-twisted helical crystals for these substances.

  9. Improving the Quality of Protein Crystals Using Stirring Crystallization

    NASA Astrophysics Data System (ADS)

    Adachi, Hiroaki; Matsumura, Hiroyoshi; Niino, Ai; Takano, Kazufumi; Kinoshita, Takayoshi; Warizaya, Masaichi; Inoue, Tsuyoshi; Mori, Yusuke; Sasaki, Takatomo

    2004-04-01

    Recent reports state that a high magnetic field improves the crystal quality of bovine adenosine deaminase (ADA) with an inhibitor [Kinoshita et al.: Acta Cryst. D59 (2003) 1333]. In this paper, we examine the effect of stirring solution on ADA crystallization using a vapor-diffusion technique with rotary and figure-eight motion shakers. The probability of obtaining high-quality crystals is increased with stirring in a figure-eight pattern. Furthermore, rotary stirring greatly increased the probability of obtaining high-quality crystals, however, nucleation time was also increased. The crystal structure with the inhibitor was determined at a high resolution using a crystal obtained from a stirred solution. These results indicate that stirring with simple equipment is as useful as the high magnetic field technique for protein crystallization.

  10. Laser alexandrite crystals grown by horizontal oriented crystallization technique

    NASA Astrophysics Data System (ADS)

    Gurov, V. V.; Tsvetkov, E. G.; Yurkin, A. M.

    2008-05-01

    Comparative studies were performed for alexandrite crystals, Al 2BeO 4:Cr 3+, employed in solid state lasers and grown by the horizontal oriented crystallization (HOC) technique and alexandrite crystals grown by the Czochralski (Cz) method. It was shown that the structural quality and possibilities of generation of stimulated emission HOC-crystals are similar to Cz-crystals, whereas their damage threshold is about three times higher. The obtained results and considerably lower cost price of HOC-alexandrite crystals prove their advantageous application in powerful laser systems, which require large laser rods with a higher resistance to laser beam. It is emphasized that application of HOC technique is promising for growth of laser crystals of other high-temperature oxide compounds.

  11. Extreme Nonlinear Optics With Liquid Crystals

    DTIC Science & Technology

    2006-10-31

    Photorefractive CdSe and gold nanowire -doped liquid crystals and polymer-dispersed-liquid-crystal photonic crystals,” Mol. Cryst. Liq. Cryst. 446: 233...Mallouk, “ Photorefractive CdSe and gold nanowire -doped liquid crystals and polymer-dispersed-liquid-crystal photonic crystals,” Mol. Cryst. Liq. Cryst...Williams, B. Lewis and T. Mallouk, “Photorefractive CdSe and gold nanowire -doped liquid crystals and polymer-dispersed-liquid-crystal photonic

  12. Crystallization-induced properties from morphology-controlled organic crystals.

    PubMed

    Park, Chibeom; Park, Ji Eun; Choi, Hee Cheul

    2014-08-19

    During the past two decades, many materials chemists have focused on the development of organic molecules that can serve as the basis of cost-effective and flexible electronic, optical, and energy conversion devices. Among the potential candidate molecules, metal-free or metal-containing conjugated organic molecules offer high-order electronic conjugation levels that can directly support fast charge carrier transport, rapid optoelectric responses, and reliable exciton manipulation. Early studies of these molecules focused on the design and synthesis of organic unit molecules that exhibit active electrical and optical properties when produced in the form of thin film devices. Since then, researchers have worked to enhance the properties upon crystallization of the unit molecules as single crystals provide higher carrier mobilities and exciton recombination yields. Most recently, researchers have conducted in-depth studies to understand how crystallization induces property changes, especially those that depend on specific crystal surfaces. The different properties that depend on the crystal facets have been of particular interest. Most unit molecules have anisotropic structures, and therefore produce crystals with several unique crystal facets with dissimilar molecular arrangements. These structural differences would also lead to diverse electrical conductance, optical absorption/emission, and even chemical interaction properties depending on the crystal facet investigated. To study the effects of crystallization and crystal facet-dependent property changes, researchers must grow or synthesize crystals of highly conjugated molecules that have both a variety of morphologies and high crystallinity. Morphologically well-defined organic crystals, that form structures such as wires, rods, disks, and cubes, provide objects that researchers can use to evaluate these material properties. Such structures typically occur as single crystals with well-developed facets with

  13. Stress induced reversible crystal transition in poly(butylene succinate)

    NASA Astrophysics Data System (ADS)

    Liu, Guoming; Zheng, Liuchun; Zhang, Xiuqin; Li, Chuncheng; Wang, Dujin

    2015-03-01

    The plastic deformation mechanism of semi-crystalline polymers is a long-studied topic, which is crucial for establishing structure/property relationships. For polymers with stress induced crystal transition, some open questions still need to be answered, such as on which stage of plastic deformation does the crystal transition take place, and more importantly, what happens on the lamellar structure during crystal transition. In this talk, stress-induced reversible crystal transition in poly(butylene succinate) was systematically investigated by in-situ WAXS and SAXS. A ``lamellar thickening'' phenomenon was observed during stretching, which was shown to mainly originated from the reversible crystal transition. This mechanism was shown to be valid in poly(ethylene succinate). The critical stress for the transition was measured in a series of PBS-based crystalline-amorphous multi-block copolymers. Interestingly, these PBS copolymers exhibited identical critical stress independent of amorphous blocks. The universal critical stress for crystal transition was interpreted through a single-microfibril-stretching mechanism. The work is financially supported by the National Natural Science Foundation of China (Grant No. 51203170).

  14. Plenum type crystal growth process

    DOEpatents

    Montgomery, Kenneth E.

    1992-01-01

    Crystals are grown in a tank which is divided by a baffle into a crystal growth region above the baffle and a plenum region below the baffle. A turbine blade or stirring wheel is positioned in a turbine tube which extends through the baffle to generate a flow of solution from the crystal growing region to the plenum region. The solution is pressurized as it flows into the plenum region. The pressurized solution flows back to the crystal growing region through return flow tubes extending through the baffle. Growing crystals are positioned near the ends of the return flow tubes to receive a direct flow of solution.

  15. Protein Crystals Grown in Space

    NASA Technical Reports Server (NTRS)

    2000-01-01

    A collage of protein and virus crystals, many of which were grown on the U.S. Space Shuttle or Russian Space Station, Mir. The crystals include the proteins canavalin; mouse monoclonal antibody; a sweet protein, thaumatin; and a fungal protease. Viruses are represented here by crystals of turnip yellow mosaic virus and satellite tobacco mosaic virus. The crystals are photographed under polarized light (thus causing the colors) and range in size from a few hundred microns in edge length up to more than a millimeter. All the crystals are grown from aqueous solutions and are useful for X-ray diffraction analysis. Credit: Dr. Alex McPherson, University of California, Irvine.

  16. Plenum type crystal growth chamber

    SciTech Connect

    Montgomery, K.E.

    1990-12-31

    Crystals are grown in a tank which is divided by a baffle into a crystal growth region above the baffle and a plenum region below the baffle. A turbine blade or stirring wheel is positioned in a turbine tube which extends through the baffle to generate a flow of solution from the crystal growing region to the plenum region. The solution is pressurized as it flows into the plenum region. The pressurized solution flows back to the crystal growing region through return flow tubes extending through the baffle. Growing crystals are positioned near the ends of the return flow tubes to receive a direct flow of solution.

  17. Surrogate Seeds For Growth Of Crystals

    NASA Technical Reports Server (NTRS)

    Shlichta, Paul J.

    1989-01-01

    Larger crystals of higher quality grown. Alternative method for starting growth of crystal involves use of seed crystal of different material instead of same material as solution. Intended for growing single-crystal proteins for experiments but applicable in general to growth of crystals from solutions and to growth of semiconductor or other crystals from melts.

  18. Peptide crystal simulations reveal hidden dynamics

    PubMed Central

    Janowski, Pawel A.; Cerutti, David S.; Holton, James; Case, David A.

    2013-01-01

    Molecular dynamics simulations of biomolecular crystals at atomic resolution have the potential to recover information on dynamics and heterogeneity hidden in the X-ray diffraction data. We present here 9.6 microseconds of dynamics in a small helical peptide crystal with 36 independent copies of the unit cell. The average simulation structure agrees with experiment to within 0.28 Å backbone and 0.42 Å all-atom rmsd; a model refined against the average simulation density agrees with the experimental structure to within 0.20 Å backbone and 0.33 Å all-atom rmsd. The R-factor between the experimental structure factors and those derived from this unrestrained simulation is 23% to 1.0 Å resolution. The B-factors for most heavy atoms agree well with experiment (Pearson correlation of 0.90), but B-factors obtained by refinement against the average simulation density underestimate the coordinate fluctuations in the underlying simulation where the simulation samples alternate conformations. A dynamic flow of water molecules through channels within the crystal lattice is observed, yet the average water density is in remarkable agreement with experiment. A minor population of unit cells is characterized by reduced water content, 310 helical propensity and a gauche(−) side-chain rotamer for one of the valine residues. Careful examination of the experimental data suggests that transitions of the helices are a simulation artifact, although there is indeed evidence for alternate valine conformers and variable water content. This study highlights the potential for crystal simulations to detect dynamics and heterogeneity in experimental diffraction data, as well as to validate computational chemistry methods. PMID:23631449

  19. Crucible-free pulling of germanium crystals

    NASA Astrophysics Data System (ADS)

    Wünscher, Michael; Lüdge, Anke; Riemann, Helge

    2011-03-01

    Commonly, germanium crystals are grown after the Czochralski (CZ) method. The crucible-free pedestal and floating zone (FZ) methods, which are widely used for silicon growth, are hardly known to be investigated for germanium. The germanium melt is more than twice as dense as liquid silicon, which could destabilize a floating zone. Additionally, the lower melting point and the related lower radiative heat loss is shown to reduce the stability especially of the FZ process with the consequence of a screw-like crystal growth. We found that the lower heat radiation of Ge can be compensated by the increased convective cooling of a helium atmosphere instead of the argon ambient. Under these conditions, the screw-like growth could be avoided. Unfortunately, the helium cooling deteriorates the melting behavior of the feed rod. Spikes appear along the open melt front, which touch on the induction coil. In order to improve the melting behavior, we used a lamp as a second energy source as well as a mixture of Ar and He. With this, we found a final solution for growing stable crystals from germanium by using both gases in different parts of the furnace. The experimental work is accompanied by the simulation of the stationary temperature field. The commercially available software FEMAG-FZ is used for axisymmetric calculations. Another tool for process development is the lateral photo-voltage scanning (LPS), which can determine the shape of the solid-liquid phase boundary by analyzing the growth striations in a lateral cut of a grown crystal. In addition to improvements of the process, these measurements can be compared with the calculated results and, hence, conduce to validate the calculation.

  20. Macromolecular crystal growing system

    NASA Technical Reports Server (NTRS)

    Snyder, Robert S. (Inventor); Herren, Blair J. (Inventor); Carter, Daniel C. (Inventor); Yost, Vaughn H. (Inventor); Bugg, Charles E. (Inventor); Delucas, Lawrence J. (Inventor); Suddath, Fred L. (Inventor)

    1991-01-01

    A macromolecular crystal growing system especially designed for growing crystals in the low gravity of space as well as the gravity of earth includes at least one tray assembly, a carrier assembly which receives the tray, and a refrigeration-incubation module in which the carrier assembly is received. The tray assembly includes a plurality of sealed chambers with a plastic syringe and a plug means for the double tip of the syringe provided therein. Ganging mechanisms operate the syringes and plugs simultaneously in a precise and smooth operation. Preferably, the tray assemblies are mounted on ball bearing slides for smooth operation in inserting and removing the tray assemblies into the carrier assembly. The plugging mechanism also includes a loading control mechanism. A mechanism for leaving a syringe unplugged is also provided.

  1. CRYSTAL/FACE

    NASA Technical Reports Server (NTRS)

    Baumgardner, Darrel; Kok, Greg; Anderson, Bruce

    2004-01-01

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

  2. Liquid crystals in tribology.

    PubMed

    Carrión, Francisco-José; Martínez-Nicolás, Ginés; Iglesias, Patricia; Sanes, José; Bermúdez, María-Dolores

    2009-09-18

    Two decades ago, the literature dealing with the possible applications of low molar mass liquid crystals, also called monomer liquid crystals (MLCs), only included about 50 references. Today, thousands of papers, conference reports, books or book chapters and patents refer to the study and applications of MLCs as lubricants and lubricant additives and efforts are made to develop new commercial applications. The development of more efficient lubricants is of paramount technological and economic relevance as it is estimated that half the energy consumption is dissipated as friction. MLCs have shown their ability to form ordered boundary layers with good load-carrying capacity and to lower the friction coefficients, wear rates and contact temperature of sliding surfaces, thus contributing to increase the components service life and to save energy. This review includes the use of MLCs in lubrication, and dispersions of MLCs in conventional polymers (PDMLCs). Finally, new lubricating system composed of MLC blends with surfactants, ionic liquids or nanophases are considered.

  3. VALIDATION OF ASHWAGANDHA CHURNAM

    PubMed Central

    Nagavalli, D.; Vetrichelvan, T.; Gayathri, N.; Poongothai, P.; Sivasankari, K. P.; Vadamalai, S.V.

    2001-01-01

    Ashwagandha churnam is an important Ayurvedic medicine obtained form dried roots and stems of withania somnifer1 (family;- Solanaceae)1, used as a tonic for emaciation of children, debility form old age, rheumatism, hypertension, ulcer, tumor2, sedative etc. In the present study a validation of Ashwagandha churnam by organoleptic, microscopic characteristics, extractive values total ash acid insoluble ash, and qualitative analysis of different organic constituents has been done TLC analysis to standardize the churnam has been performed. These studies will help in future of fixing standards for this churnam. PMID:22557018

  4. ALHAT System Validation

    NASA Technical Reports Server (NTRS)

    Brady, Tye; Bailey, Erik; Crain, Timothy; Paschall, Stephen

    2011-01-01

    NASA has embarked on a multiyear technology development effort to develop a safe and precise lunar landing capability. The Autonomous Landing and Hazard Avoidance Technology (ALHAT) Project is investigating a range of landing hazard detection methods while developing a hazard avoidance capability to best field test the proper set of relevant autonomous GNC technologies. Ultimately, the advancement of these technologies through the ALHAT Project will provide an ALHAT System capable of enabling next generation lunar lander vehicles to globally land precisely and safely regardless of lighting condition. This paper provides an overview of the ALHAT System and describes recent validation experiments that have advanced the highly capable GNC architecture.

  5. Tactical Miniature Crystal Oscillator.

    DTIC Science & Technology

    1981-04-01

    87 6.2 Outgassing experiments o......... 88 6.3 Electropolishing ......... 95 6.4 Leaks in the TMXO package...machinable and sealing properties. After considering the thermal and mech- anical characteristics of many materials, nickel was selected. Table 7 gives...and the nickel type used in this program. TABLE 7. CHARACTERISTICS OF CRYSTAL ENCLOSURES Old copper Alumina* Nickel enclosures enclosures enclosure

  6. Nematic liquid crystal bridges

    NASA Astrophysics Data System (ADS)

    Doss, Susannah; Ellis, Perry; Vallamkondu, Jayalakshmi; Danemiller, Edward; Vernon, Mark; Fernandez-Nieves, Alberto

    We study the effects of confining a nematic liquid crystal between two parallel glass plates with homeotropic boundary conditions for the director at all bounding surfaces. We find that the free surface of the nematic bridge is a surface of constant mean curvature. In addition, by changing the distance between the plates and the contact angle with the glass plates, we transition between loops and hedgehogs that can be either radial or hyperbolic.

  7. The Crystal Set

    NASA Astrophysics Data System (ADS)

    Greenslade, Thomas B.

    2014-04-01

    In past issues of this journal, the late H. R. Crane wrote a long series of articles under the running title of "How Things Work." In them, Dick dealt with many questions that physics teachers asked themselves, but did not have the time to answer. This article is my attempt to work through the physics of the crystal set, which I thought I knew, but actually did not.

  8. Diamond drumhead crystals (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Kolodziej, Tomasz; Vodnala, Preeti; Terentyev, Sergey A.; Blank, Vladimir D.; Shvyd'ko, Yuri V.

    2016-09-01

    Ultra-thin (< 100 um) diamond single crystals are essential for the realization of numerous next generation x-ray optical devices. Fabrication and handling of such ultra-thin crystal components without introducing damage and strain is a challenge. Drumhead crystals, monolithic crystal structures comprised of a thin membrane furnished with a surrounding solid collar would be a solution for the proper handling ensuring mechanically stable and strain-free mount of the membranes with efficient thermal transport. However, diamond being one of the hardest and chemically inert materials poses insurmountable difficulties in the fabrication. Here we report on a successful manufacturing of the diamond drumhead crystals using picosecond laser milling. Subsequent temperature treatment appears to be crucial for the membranes to become defect-free and unstrained, as revealed by x-ray double-crystal topography on an example of drumhead crystals with 1-mm in diameter and 28 um to 47 um-thick membranes in the (100) orientation.

  9. High density protein crystal growth

    NASA Technical Reports Server (NTRS)

    Rouleau, Robyn (Inventor); Delucas, Lawrence (Inventor); Hedden, Douglas Keith (Inventor)

    2004-01-01

    A protein crystal growth assembly including a crystal growth cell and further including a cell body having a top side and a bottom side and a first aperture defined therethrough, the cell body having opposing first and second sides and a second aperture defined therethrough. A cell barrel is disposed within the cell body, the cell barrel defining a cavity alignable with the first aperture of the cell body, the cell barrel being rotatable within the second aperture. A reservoir is coupled to the bottom side of the cell body and a cap having a top side is disposed on the top side of the cell body. The protein crystal growth assembly may be employed in methods including vapor diffusion crystallization, liquid to liquid crystallization, batch crystallization, and temperature induction batch mode crystallization.

  10. Crystallization of human nicotinamide phosphoribosyltransferase

    SciTech Connect

    Takahashi, Ryo; Nakamura, Shota; Yoshida, Takuya; Kobayashi, Yuji; Ohkubo, Tadayasu

    2007-05-01

    Human nicotinamide phosphoribosyltransferase has been crystallized using microseeding methods and X-ray diffraction data have been collected at 2.0 Å resolution. In the NAD biosynthetic pathway, nicotinamide phosphoribosyltransferase (NMPRTase; EC 2.4.2.12) plays an important role in catalyzing the synthesis of nicotinamide mononucleotide from nicotinamide and 5′-phosphoribosyl-1′-pyrophosphate. Because the diffraction pattern of the initally obtained crystals was not suitable for structure analysis, the crystal quality was improved by successive use of the microseeding technique. The resultant crystals diffracted to 2.0 Å resolution. These crystals belonged to space group P21, with unit-cell parameters a = 60.56, b = 106.40, c = 82.78 Å. Here, the crystallization of human NMPRTase is reported in the free form; the crystals should be useful for inhibitor-soaking experiments on the enzyme.

  11. Modern trends in technical crystallization

    NASA Astrophysics Data System (ADS)

    Matz, G.

    1980-04-01

    Interesting and significant developments have occurred in the last decade in both crystallization equipment and in the theory of crystallization process. In the field of technical crystallization new crystallizers have been developed and computer modelling has become important in scaling up and in the achievement of increased performance. The DP-Kristaller developed by Escher-Wyss-Tsukishima, the Brodie purifier, the sieve tray column having dancing balls, the automated multiple crystallization process due to Mützenberg and Saxer and the double belt cooler, all of which represent technical developments, are described in the first section. The second part of the paper reviews computer modelling of the fluidized bed crystallizer, chemical precipitation, flaking and prilling. Finally, there is a brief discussion of the impact of technical crystallization processes on environmental protection.

  12. Slotted Photonic Crystal Sensors

    PubMed Central

    Scullion, Mark G.; Krauss, Thomas F.; Di Falco, Andrea

    2013-01-01

    Optical biosensors are increasingly being considered for lab-on-a-chip applications due to their benefits such as small size, biocompatibility, passive behaviour and lack of the need for fluorescent labels. The light guiding mechanisms used by many of them results in poor overlap of the optical field with the target molecules, reducing the maximum sensitivity achievable. This review article presents a new platform for optical biosensors, namely slotted photonic crystals, which provide higher sensitivities due to their ability to confine, spatially and temporally, the optical mode peak within the analyte itself. Loss measurements showed values comparable to standard photonic crystals, confirming their ability to be used in real devices. A novel resonant coupler was designed, simulated, and experimentally tested, and was found to perform better than other solutions within the literature. Combining with cavities, microfluidics and biological functionalization allowed proof-of-principle demonstrations of protein binding to be carried out. Higher sensitivities were observed in smaller structures than possible with most competing devices reported in the literature. This body of work presents slotted photonic crystals as a realistic platform for complete on-chip biosensing; addressing key design, performance and application issues, whilst also opening up exciting new ideas for future study. PMID:23503295

  13. Cholesterol crystal embolism (atheroembolism).

    PubMed

    Venturelli, Chiara; Jeannin, Guido; Sottini, Laura; Dallera, Nadia; Scolari, Francesco

    2006-01-01

    Cholesterol crystal embolism, known as atheroembolic disease, is caused by showers of cholesterol crystals from an atherosclerotic plaque that occludes small arteries. Embolization can occur spontaneously or as an iatrogenic complication from an invasive vascular procedure (angiography or vascular surgery) and after anticoagulant therapy. The atheroembolism can give rise to different degrees of renal impairment. Some patients show a moderate loss of renal function, others severe renal failure requiring dialysis. Renal outcome can be variable: some patients deteriorate or remain on dialysis, some improve and some remain with chronic renal impairment. Clinically, three types of atheroembolic renal disease have been described: acute, subacute or chronic. More frequently a progressive loss of renal function occurs over weeks. Atheroembolization can involve the skin, gastrointestinal system and central nervous system. The diagnosis is difficult and controversial for the protean extrarenal manifestations. In the past, the diagnosis was often made post-mortem. In the last 10 yrs, awareness of atheroembolic renal disease has improved. The correct diagnosis requires the clinician to be alert. The typical patient is a white male aged >60 yrs with a history of hypertension, smoking and arterial disease. The presence of a classic triad (precipitating event, renal failure and peripheral cholesterol crystal embolization) suggests the diagnosis. This can be confirmed by a biopsy of the target organs. A specific treatment is lacking; however, it is an important diagnosis to make because an aggressive therapeutic approach can be associated with a more favorable clinical outcome.

  14. Quartz crystal fabrication facility

    NASA Astrophysics Data System (ADS)

    Ney, R. J.

    1980-05-01

    The report describes the design and operation of a five chamber, interconnected vacuum system, which is capable of cleaning, plating, and sealing precision quartz crystal units in ceramic flatpack enclosures continuously in a high vacuum environment. The production rate design goal was 200 units per eight hour day. A unique nozzle beam gold deposition source was developed to operate for extended periods of time without reloading. The source puts out a narrow beam of gold typically in the order of 2 1/2 deg included cone angle. Maximum deposition rates are in the order of 400 a/min at 5.5 in. 'throw' distance used. Entrance and exit air lock chambers expedite the material throughput, so that the processing chambers are at high vacuum for extended periods of time. A stainless steel conveyor belt, in conjunction with three vacuum manipulators, transport the resonator components to the various work stations. Individual chambers are normally separated from each other by gate valves. The crystal resonators, mounted in flatpack frames but unplated, are loaded into transport trays in a lid-frame-lid sequency for insertion into the system and exit as completed crystal units. The system utilizes molybdenum coated ball bearings at essentially all friction surfaces. The gold sources and plating mask heads are equipped with elevators and gate valves, so that they can be removed from the system for maintenance without exposing the chambers to atmosphere.

  15. Cholesterol crystal embolism (atheroembolism)

    PubMed Central

    VENTURELLI, CHIARA; JEANNIN, GUIDO; SOTTINI, LAURA; DALLERA, NADIA; SCOLARI, FRANCESCO

    2006-01-01

    Cholesterol crystal embolism, known as atheroembolic disease, is caused by showers of cholesterol crystals from an atherosclerotic plaque that occludes small arteries. Embolization can occur spontaneously or as an iatrogenic complication from an invasive vascular procedure (angiography or vascular surgery) and after anticoagulant therapy. The atheroembolism can give rise to different degrees of renal impairment. Some patients show a moderate loss of renal function, others severe renal failure requiring dialysis. Renal outcome can be variable: some patients deteriorate or remain on dialysis, some improve and some remain with chronic renal impairment. Clinically, three types of atheroembolic renal disease have been described: acute, subacute or chronic. More frequently a progressive loss of renal function occurs over weeks. Atheroembolization can involve the skin, gastrointestinal system and central nervous system. The diagnosis is difficult and controversial for the protean extrarenal manifestations. In the past, the diagnosis was often made post-mortem. In the last 10 yrs, awareness of atheroembolic renal disease has improved. The correct diagnosis requires the clinician to be alert. The typical patient is a white male aged >60 yrs with a history of hypertension, smoking and arterial disease. The presence of a classic triad (precipitating event, renal failure and peripheral cholesterol crystal embolization) suggests the diagnosis. This can be confirmed by a biopsy of the target organs. A specific treatment is lacking; however, it is an important diagnosis to make because an aggressive therapeutic approach can be associated with a more favorable clinical outcome. PMID:21977265

  16. On dewetting of thin films due to crystallization (crystallization dewetting).

    PubMed

    Habibi, Mehran; Rahimzadeh, Amin; Eslamian, Morteza

    2016-03-01

    Drying and crystallization of a thin liquid film of an ionic or a similar solution can cause dewetting in the resulting thin solid film. This paper aims at investigating this type of dewetting, herein termed "crystallization dewetting", using PbI2 dissolved in organic solvents as the model solution. PbI2 solid films are usually used in X-ray detection and lead halide perovskite solar cells. In this work, PbI2 films are fabricated using spin coating and the effect of major parameters influencing the crystallization dewetting, including the type of the solvent, solution concentration, drying temperature, spin speed, as well as imposed vibration on the substrate are studied on dewetting, surface profile and coverage, using confocal scanning laser microscopy. Simplified hydrodynamic governing equations of crystallization in thin films are presented and using a mathematical representation of the process, it is phenomenologically demonstrated that crystallization dewetting occurs due to the absorption and consumption of the solution surrounding a growing crystal. Among the results, it is found that a low spin speed (high thickness), a high solution concentration and a low drying temperature promote crystal growth, and therefore crystallization dewetting. It is also shown that imposed vibration on the substrate can affect the crystal size and crystallization dewetting.

  17. Crystal growth and agglomeration of calcium sulfite hemihydrate crystals

    SciTech Connect

    Tai, C.Y.; Chen, P.C.

    1995-04-01

    Flue gas desulfurization (FGD) processes are most commonly utilized to remove sulfur dioxide from stack gases of coal- or oil-fired plants. In the simple slurry technology, SO{sub 2} is absorbed by a slurry of lime/limestone to form calcium sulfite crystals of acicular habit and its strong agglomeration, requiring large clarifiers and filters to dewater the sludge to make an acceptable landfill. Crystal growth and agglomeration of calcium sulfite hemihydrate crystals from solution were studied by reacting Ca(OH){sub 2} with NaHSO{sub 3} in a pH-stat semibatch crystallizer. Single platelet crystals and agglomerates of platelet crystals were produced in the pH range from 5.80 to 6.80. The crystallization mechanism changed from primary nucleation to crystal growth in the progressive precipitation. Using the titration curves, the growth rate was calculated from the titration rate at the final stage of operation. The crystal growth rates of calcium sulfate hemihydrate crystals were found to obey the parabolic rate law in the low supersaturation range. Another point to be noted is that the precipitates of calcium sulfite hemihydrate in agitated suspensions have a tendency to form agglomerates. It was found that the degree of agglomeration is a weak function of relative supersaturation and magma density, while the pH value is a key factor that affects the degree of agglomeration. Addition of EDTA also has an effect on the agglomeration of calcium sulfite hemihydrates.

  18. High-Resolution Diffusion Chronometry of Volcanic Plagioclase Crystals

    NASA Astrophysics Data System (ADS)

    Saunders, K.; Blundy, J.; Dohmen, R.; Kilburn, M.

    2010-12-01

    allows timescales of magmatic processes to be calculated that suggests the final stages of crystal growth occurred within days-months of the material being erupted. Furthermore, a common aspect of plagioclase specific studies is to use partition coefficients; especially Sr and Ba, to back calculate the melt composition from which plagioclase crystals fractionate. This assumes that post-crystallisation modification of the measured elemental concentrations of trace elements are unaffected by subsequent diffusion processes. Diffusional modelling of the same Mount St. Helen’s plagioclase crystals have shown that this assumption is not valid and that some of the observed trends in the back calculated melt compositions result from the modification of crystal composition from post-crystallisation diffusion, which fractionates Sr from Ba, due to their contrasted diffusivities.

  19. Validation of performance assessment models

    SciTech Connect

    Bergeron, M.P.; Kincaid, C.T.

    1991-11-01

    The purpose of model validation in a low-level waste site performance assessment is to increase confidence in predictions of the migration and fate of future releases from the wastes. Unlike the process of computer code verification, model validation is a site-specific process that requires site-specific data. This paper provides an overview of the topic of model validation and describes the general approaches, strategies, and limitations of model validation being considered by various researchers concerned with the subject.

  20. Models of protein-ligand crystal structures: trust, but verify

    NASA Astrophysics Data System (ADS)

    Deller, Marc C.; Rupp, Bernhard

    2015-09-01

    X-ray crystallography provides the most accurate models of protein-ligand structures. These models serve as the foundation of many computational methods including structure prediction, molecular modelling, and structure-based drug design. The success of these computational methods ultimately depends on the quality of the underlying protein-ligand models. X-ray crystallography offers the unparalleled advantage of a clear mathematical formalism relating the experimental data to the protein-ligand model. In the case of X-ray crystallography, the primary experimental evidence is the electron density of the molecules forming the crystal. The first step in the generation of an accurate and precise crystallographic model is the interpretation of the electron density of the crystal, typically carried out by construction of an atomic model. The atomic model must then be validated for fit to the experimental electron density and also for agreement with prior expectations of stereochemistry. Stringent validation of protein-ligand models has become possible as a result of the mandatory deposition of primary diffraction data, and many computational tools are now available to aid in the validation process. Validation of protein-ligand complexes has revealed some instances of overenthusiastic interpretation of ligand density. Fundamental concepts and metrics of protein-ligand quality validation are discussed and we highlight software tools to assist in this process. It is essential that end users select high quality protein-ligand models for their computational and biological studies, and we provide an overview of how this can be achieved.

  1. Supported Employment and Social Validity.

    ERIC Educational Resources Information Center

    Test, David W.

    1994-01-01

    Thirty studies on supported employment for people with disabilities were evaluated using a proposed Social Validity Matrix. Results suggested further research should investigate alternative strategies for assessing social validity, develop systematic procedures for collecting and using social validity data, and establish functional variables…

  2. Determining Validity in Qualitative Inquiry.

    ERIC Educational Resources Information Center

    Creswell, John W.; Miller, Dana L.

    2000-01-01

    Suggests that the choice of validity procedures in qualitative inquiry is governed by two perspectives: the lens researchers choose to validate their studies and the researchers' paradigm assumptions. The article advances a two-dimensional framework to help researchers identify appropriate validity procedures for their studies. Nine validity…

  3. Validation of the BEPLATE code

    SciTech Connect

    Giles, G.E.; Bullock, J.S.

    1997-11-01

    The electroforming simulation code BEPLATE (Boundary Element-PLATE) has been developed and validated for specific applications at Oak Ridge. New areas of application are opening up and more validations are being performed. This paper reports the validation experience of the BEPLATE code on two types of electroforms and describes some recent applications of the code.

  4. Discrete breathers in crystals

    NASA Astrophysics Data System (ADS)

    Dmitriev, S. V.; Korznikova, E. A.; Baimova, Yu A.; Velarde, M. G.

    2016-05-01

    It is well known that periodic discrete defect-containing systems, in addition to traveling waves, support vibrational defect-localized modes. It turned out that if a periodic discrete system is nonlinear, it can support spatially localized vibrational modes as exact solutions even in the absence of defects. Since the nodes of the system are all on equal footing, it is only through the special choice of initial conditions that a group of nodes can be found on which such a mode, called a discrete breather (DB), will be excited. The DB frequency must be outside the frequency range of the small-amplitude traveling waves. Not resonating with and expending no energy on the excitation of traveling waves, a DB can theoretically conserve its vibrational energy forever provided no thermal vibrations or other perturbations are present. Crystals are nonlinear discrete systems, and the discovery in them of DBs was only a matter of time. It is well known that periodic discrete defect-containing systems support both traveling waves and vibrational defect-localized modes. It turns out that if a periodic discrete system is nonlinear, it can support spatially localized vibrational modes as exact solutions even in the absence of defects. Because the nodes of the system are all on equal footing, only a special choice of the initial conditions allows selecting a group of nodes on which such a mode, called a discrete breather (DB), can be excited. The DB frequency must be outside the frequency range of small-amplitude traveling waves. Not resonating with and expending no energy on the excitation of traveling waves, a DB can theoretically preserve its vibrational energy forever if no thermal vibrations or other perturbations are present. Crystals are nonlinear discrete systems, and the discovery of DBs in them was only a matter of time. Experimental studies of DBs encounter major technical difficulties, leaving atomistic computer simulations as the primary investigation tool. Despite

  5. CALCIUM OXALATE STONE FRAGMENT AND CRYSTAL PHAGOCYTOSIS BY HUMAN MACROPHAGES

    PubMed Central

    Kusmartsev, Sergei; Dominguez-Gutierrez, Paul R.; Canales, Benjamin K.; Bird, Vincent G.; Vieweg, Johannes; Khan, Saeed R.

    2015-01-01

    Purpose In murine and human hyperoxaluric conditions, macrophages can be seen surrounding renal calcium oxalate (CaOx) crystal deposits. We hypothesize that macrophages play a role in degrading and destroying these deposits and investigated inflammatory response and phagocytic mechanisms when macrophages are exposed to human kidney stones and inorganic crystals. Materials and Methods Human monocytes were differentiated into resting, fully-differentiated macrophages by treating with recombinant human M-CSF or GM-CSF for 6 days. After confirming phenotype by flow cytometry, macrophages were exposed for 20 hours to fragments of sterile human CaOx stones or CaOx crystals. Crystal uptake was determined, and supernatant cytokine and chemokine profiles were analyzed using antibody arrays. qRT-PCR was used to validate mRNA profile expression. Results Under direct-vision fluorescent microscopy, activated human macrophages were noted to surround both stone fragments and synthesized crystals and destroy them in a step-by-step process that involved clathrin-mediated endocytosis and phagocytosis. An inflammatory cascade was released by macrophages, including chemokines CCL2, CCL3, interleukin-1 receptor antagonist (IL-1ra), complement component C5/C5a and IL-8. The response patterns to stone and crystal material was dependent on macrophage phenotype and activation status. Conclusions In our in vitro study, macrophages differentiated with M-CSF displayed a greater ability to phagocytize crystal deposits than those treated with GM-CSF. Following clathrin-mediated endocytosis, macrophages released a number of cytokines crucial for inflammatory immune response, suggesting that tissue macrophages play an important role in preventing kidney stone disease by removing and digesting interstitial renal crystal deposits. PMID:26626217

  6. Understanding the fabric of protein crystals: computational classification of biological interfaces and crystal contacts

    PubMed Central

    Capitani, Guido; Duarte, Jose M.; Baskaran, Kumaran; Bliven, Spencer; Somody, Joseph C.

    2016-01-01

    Modern structural biology still draws the vast majority of information from crystallography, a technique where the objects being investigated are embedded in a crystal lattice. Given the complexity and variety of those objects, it becomes fundamental to computationally assess which of the interfaces in the lattice are biologically relevant and which are simply crystal contacts. Since the mid-1990s, several approaches have been applied to obtain high-accuracy classification of crystal contacts and biological protein–protein interfaces. This review provides an overview of the concepts and main approaches to protein interface classification: thermodynamic estimation of interface stability, evolutionary approaches based on conservation of interface residues, and co-occurrence of the interface across different crystal forms. Among the three categories, evolutionary approaches offer the strongest promise for improvement, thanks to the incessant growth in sequence knowledge. Importantly, protein interface classification algorithms can also be used on multimeric structures obtained using other high-resolution techniques or for protein assembly design or validation purposes. A key issue linked to protein interface classification is the identification of the biological assembly of a crystal structure and the analysis of its symmetry. Here, we highlight the most important concepts and problems to be overcome in assembly prediction. Over the next few years, tools and concepts of interface classification will probably become more frequently used and integrated in several areas of structural biology and structural bioinformatics. Among the main challenges for the future are better addressing of weak interfaces and the application of interface classification concepts to prediction problems like protein–protein docking. Supplementary information: Supplementary data are available at Bioinformatics online. Contact: guido.capitani@psi.ch PMID:26508758

  7. Unifying the crystallization behavior of hexagonal and square crystals with the phase-field-crystal model

    NASA Astrophysics Data System (ADS)

    Tao, Yang; Zheng, Chen; Jing, Zhang; Yongxin, Wang; Yanli, Lu

    2016-03-01

    By employing the phase-field-crystal models, the atomic crystallization process of hexagonal and square crystals is investigated with the emphasis on the growth mechanism and morphological change. A unified regime describing the crystallization behavior of both crystals is obtained with the thermodynamic driving force varying. By increasing the driving force, both crystals (in the steady-state) transform from a faceted polygon to an apex-bulged polygon, and then into a symmetric dendrite. For the faceted polygon, the interface advances by a layer-by-layer (LL) mode while for the apex-bulged polygonal and the dendritic crystals, it first adopts the LL mode and then transits into the multi-layer (ML) mode in the later stage. In particular, a shift of the nucleation sites from the face center to the area around the crystal tips is detected in the early growth stage of both crystals and is rationalized in terms of the relation between the crystal size and the driving force distribution. Finally, a parameter characterizing the complex shape change of square crystal is introduced. Project supported by the National Natural Science Foundation of China (Grant Nos. 54175378, 51474176, and 51274167), the Natural Science Foundation of Shaanxi Province, China (Grant No. 2014JM7261), and the Doctoral Foundation Program of Ministry of China (Grant No. 20136102120021).

  8. Mechanical properties of hydroxyapatite single crystals from nanoindentation data

    PubMed Central

    Zamiri, A.; De, S.

    2011-01-01

    In this paper we compute elasto-plastic properties of hydroxyapatite single crystals from nanindentation data using a two-step algorithm. In the first step the yield stress is obtained using hardness and Young’s modulus data, followed by the computation of the flow parameters. The computational approach is first validated with data from existing literature. It is observed that hydroxyapatite single crystals exhibit anisotropic mechanical response with a lower yield stress along the [1010] crystallographic direction compared to the [0001] direction. Both work hardening rate and work hardening exponent are found to be higher for indentation along the [0001] crystallographic direction. The stress-strain curves extracted here could be used for developing constitutive models for hydroxyapatite single crystals. PMID:21262492

  9. Surface enhanced raman spectroscopy studies on triglycine sulphate single crystals

    NASA Astrophysics Data System (ADS)

    Parameswari, A.; Mohamed Asath, R.; Premkumar, R.; Milton Franklin Benial, A.

    2017-01-01

    Adsorption characteristics of triglycine sulphate (TGS) on silver (Ag) surface were investigated based on density functional theory calculations and surface enhanced Raman spectroscopy (SERS) technique. The single crystals of TGS were grown by slow evaporation method. Ag nanoparticles (Ag NPs) were prepared by solution combustion method and characterized. The calculated and observed structural parameters of TGS molecule were compared. Raman and SERS spectra for TGS single crystal were studied experimentally and validated theoretically. Frontier molecular orbitals (FMOs) analysis was carried out for TGS and TGS adsorbed on Ag surface. The second harmonic generation measurements confirm the nonlinear optical (NLO) activity of the TGS molecule. SERS spectral analysis reveals that the TGS adsorbed as tilted orientation on the silver surface. The theoretical and experimental results evidence the suitability of the grown TGS single crystal for optoelectronic applications.

  10. Mechanical properties of hydroxyapatite single crystals from nanoindentation data.

    PubMed

    Zamiri, A; De, S

    2011-02-01

    In this paper we compute elastoplastic properties of hydroxyapatite single crystals from nanoindentation data using a two-step algorithm. In the first step the yield stress is obtained using hardness and Young's modulus data, followed by the computation of the flow parameters. The computational approach is first validated with data from the existing literature. It is observed that hydroxyapatite single crystals exhibit anisotropic mechanical response with a lower yield stress along the [1010] crystallographic direction compared to the [0001] direction. Both work hardening rate and work hardening exponent are found to be higher for indentation along the [0001] crystallographic direction. The stress-strain curves extracted here could be used for developing constitutive models for hydroxyapatite single crystals.

  11. Additive manufacturing of micrometric crystallization vessels and single crystals

    PubMed Central

    Halevi, Oded; Jiang, Hui; Kloc, Christian; Magdassi, Shlomo

    2016-01-01

    We present an all-additive manufacturing method that is performed at mild conditions, for the formation of organic single crystals at specific locations, without any photolithography prefabrication process. The method is composed of two steps; inkjet printing of a confinement frame, composed of a water soluble electrolyte. Then, an organic semiconductor solution is printed within the confinement to form a nucleus at a specific location, followed by additional printing, which led to the growth of a single crystal. The specific geometry of the confinement enables control of the specific locations of the single crystals, while separating the nucleation and crystal growth processes. By this method, we printed single crystals of perylene, which are suitable for the formation of OFETs. Moreover, since this method is based on a simple and controllable wet deposition process, it enables formation of arrays of single crystals at specific locations, which is a prerequisite for mass production of active organic elements on flexible substrates. PMID:27830827

  12. Additive manufacturing of micrometric crystallization vessels and single crystals.

    PubMed

    Halevi, Oded; Jiang, Hui; Kloc, Christian; Magdassi, Shlomo

    2016-11-10

    We present an all-additive manufacturing method that is performed at mild conditions, for the formation of organic single crystals at specific locations, without any photolithography prefabrication process. The method is composed of two steps; inkjet printing of a confinement frame, composed of a water soluble electrolyte. Then, an organic semiconductor solution is printed within the confinement to form a nucleus at a specific location, followed by additional printing, which led to the growth of a single crystal. The specific geometry of the confinement enables control of the specific locations of the single crystals, while separating the nucleation and crystal growth processes. By this method, we printed single crystals of perylene, which are suitable for the formation of OFETs. Moreover, since this method is based on a simple and controllable wet deposition process, it enables formation of arrays of single crystals at specific locations, which is a prerequisite for mass production of active organic elements on flexible substrates.

  13. Additive manufacturing of micrometric crystallization vessels and single crystals

    NASA Astrophysics Data System (ADS)

    Halevi, Oded; Jiang, Hui; Kloc, Christian; Magdassi, Shlomo

    2016-11-01

    We present an all-additive manufacturing method that is performed at mild conditions, for the formation of organic single crystals at specific locations, without any photolithography prefabrication process. The method is composed of two steps; inkjet printing of a confinement frame, composed of a water soluble electrolyte. Then, an organic semiconductor solution is printed within the confinement to form a nucleus at a specific location, followed by additional printing, which led to the growth of a single crystal. The specific geometry of the confinement enables control of the specific locations of the single crystals, while separating the nucleation and crystal growth processes. By this method, we printed single crystals of perylene, which are suitable for the formation of OFETs. Moreover, since this method is based on a simple and controllable wet deposition process, it enables formation of arrays of single crystals at specific locations, which is a prerequisite for mass production of active organic elements on flexible substrates.

  14. DDA Computations of Porous Aggregates with Forsterite Crystals: Effects of Crystal Shape and Crystal Mass Fraction

    NASA Technical Reports Server (NTRS)

    Wooden, Diane H.; Lindsay, Sean S.; Harker, David; Woodward, Charles; Kelley, Michael S.; Kolokolova, Ludmilla

    2015-01-01

    Porous aggregate grains are commonly found in cometary dust samples and are needed to model cometary IR spectral energy distributions (SEDs). Models for thermal emissions from comets require two forms of silicates: amorphous and crystalline. The dominant crystal resonances observed in comet SEDs are from Forsterite (Mg2SiO4). The mass fractions that are crystalline span a large range from 0.0 < or = fcrystal < or = 0.74. Radial transport models that predict the enrichment of the outer disk (>25 AU at 1E6 yr) by inner disk materials (crystals) are challenged to yield the highend-range of cometary crystal mass fractions. However, in current thermal models, Forsterite crystals are not incorporated into larger aggregate grains but instead only are considered as discrete crystals. A complicating factor is that Forsterite crystals with rectangular shapes better fit the observed spectral resonances in wavelength (11.0-11.15 microns, 16, 19, 23.5, 27, and 33 microns), feature asymmetry and relative height (Lindley et al. 2013) than spherically or elliptically shaped crystals. We present DDA-DDSCAT computations of IR absorptivities (Qabs) of 3 micron-radii porous aggregates with 0.13 < or = fcrystal < or = 0.35 and with polyhedral-shaped Forsterite crystals. We can produce crystal resonances with similar appearance to the observed resonances of comet Hale- Bopp. Also, a lower mass fraction of crystals in aggregates can produce the same spectral contrast as a higher mass fraction of discrete crystals; the 11micron and 23 micron crystalline resonances appear amplified when crystals are incorporated into aggregates composed otherwise of spherically shaped amorphous Fe-Mg olivines and pyroxenes. We show that the optical properties of a porous aggregate is not linear combination of its monomers, so aggregates need to be computed. We discuss the consequence of lowering comet crystal mass fractions by modeling IR SEDs with aggregates with crystals, and the implications for radial

  15. Morphological stability of a crystal growing in solution

    NASA Technical Reports Server (NTRS)

    Elwell, D.

    1979-01-01

    A brief outline is given of the problem of the stability of growth of a polyhedral crystal growing in solution in the presence of supersaturation inhomogeneity. An experiment is proposed for a low gravity environment which should provide data for confrontation with the various theoretical approaches to this problem. The validity of this data rests on the assumption that growth occurs in a convection-free environment.

  16. Reliability analysis of single crystal NiAl turbine blades

    NASA Technical Reports Server (NTRS)

    Salem, Jonathan; Noebe, Ronald; Wheeler, Donald R.; Holland, Fred; Palko, Joseph; Duffy, Stephen; Wright, P. Kennard

    1995-01-01

    As part of a co-operative agreement with General Electric Aircraft Engines (GEAE), NASA LeRC is modifying and validating the Ceramic Analysis and Reliability Evaluation of Structures algorithm for use in design of components made of high strength NiAl based intermetallic materials. NiAl single crystal alloys are being actively investigated by GEAE as a replacement for Ni-based single crystal superalloys for use in high pressure turbine blades and vanes. The driving force for this research lies in the numerous property advantages offered by NiAl alloys over their superalloy counterparts. These include a reduction of density by as much as a third without significantly sacrificing strength, higher melting point, greater thermal conductivity, better oxidation resistance, and a better response to thermal barrier coatings. The current drawback to high strength NiAl single crystals is their limited ductility. Consequently, significant efforts including the work agreement with GEAE are underway to develop testing and design methodologies for these materials. The approach to validation and component analysis involves the following steps: determination of the statistical nature and source of fracture in a high strength, NiAl single crystal turbine blade material; measurement of the failure strength envelope of the material; coding of statistically based reliability models; verification of the code and model; and modeling of turbine blades and vanes for rig testing.

  17. VAN method lacks validity

    NASA Astrophysics Data System (ADS)

    Jackson, David D.; Kagan, Yan Y.

    Varotsos and colleagues (the VAN group) claim to have successfully predicted many earthquakes in Greece. Several authors have refuted these claims, as reported in the May 27,1996, special issue of Geophysical Research Letters and a recent book, A Critical Review of VAN [Lighthill 1996]. Nevertheless, the myth persists. Here we summarize why the VAN group's claims lack validity.The VAN group observes electrical potential differences that they call “seismic electric signals” (SES) weeks before and hundreds of kilometers away from some earthquakes, claiming that SES are somehow premonitory. This would require that increases in stress or decreases in strength cause the electrical variations, or that some regional process first causes the electrical signals and then helps trigger the earthquakes. Here we adopt their notation SES to refer to the electrical variations, without accepting any link to the quakes.

  18. Validation of EMP bounds

    SciTech Connect

    Warne, L.K.; Merewether, K.O.; Chen, K.C.; Jorgenson, R.E.; Morris, M.E.; Solberg, J.E.; Lewis, J.G.; Derr, W.

    1996-07-01

    Test data on canonical weapon-like fixtures are used to validate previously developed analytical bounding results. The test fixtures were constructed to simulate (but be slightly worse than) weapon ports of entry but have known geometries (and electrical points of contact). The exterior of the test fixtures exhibited exterior resonant enhancement of the incident fields at the ports of entry with magnitudes equal to those of weapon geometries. The interior consisted of loaded transmission lines adjusted to maximize received energy or voltage but incorporating practical weapon geometrical constraints. New analytical results are also presented for bounding the energies associated with multiple bolt joints and for bounding the exterior resonant enhancement of the exciting fields.

  19. Crystal nephropathies: mechanisms of crystal-induced kidney injury.

    PubMed

    Mulay, Shrikant R; Anders, Hans-Joachim

    2017-04-01

    Crystals can trigger a wide range of kidney injuries that can lead to acute kidney injury, chronic kidney disease, renal colic or nephrocalcinosis, depending on the localization and dynamics of crystal deposition. Studies of the biology of crystal handling by the kidney have shown that the formation of different crystals and other microparticles and the associated mechanisms of renal damage share molecular mechanisms, such as stimulation of the NLRP3 inflammasome or direct cytotoxicity through activation of the necroptosis signalling pathway. By contrast, crystal granuloma formation is limited to chronic crystallopathies that lead to chronic kidney disease and renal fibrosis. Here, we discuss current understanding of the pathomechanisms underlying the different types of crystal-induced kidney injury and propose a classification of crystal nephropathies based on the localization of crystal deposits in the renal vasculature (type 1), the nephron (type 2), or the draining urinary tract (type 3). Further exploration of the molecular mechanisms of crystal-induced kidney injury and renal remodelling might aid the development of innovative cures for these diseases.

  20. Dynamically controlled crystallization method and apparatus and crystals obtained thereby

    NASA Technical Reports Server (NTRS)

    Arnowitz, Leonard (Inventor); Steinberg, Emanuel (Inventor)

    2003-01-01

    A method and apparatus for dynamically controlling the crystallization of molecules including a crystallization chamber (14) or chambers for holding molecules in a precipitant solution, one or more precipitant solution reservoirs (16, 18), communication passages (17, 19) respectively coupling the crystallization chamber(s) with each of the precipitant solution reservoirs, and transfer mechanisms (20, 21, 22, 24, 26, 28) configured to respectively transfer precipitant solution between each of the precipitant solution reservoirs and the crystallization chamber(s). The transfer mechanisms are interlocked to maintain a constant volume of precipitant solution in the crystallization chamber(s). Precipitant solutions of different concentrations are transferred into and out of the crystallization chamber(s) to adjust the concentration of precipitant in the crystallization chamber(s) to achieve precise control of the crystallization process. The method and apparatus can be used effectively to grow crystals under reduced gravity conditions such as microgravity conditions of space, and under conditions of reduced or enhanced effective gravity as induced by a powerful magnetic field.

  1. Validated ligand mapping of ACE active site

    NASA Astrophysics Data System (ADS)

    Kuster, Daniel J.; Marshall, Garland R.

    2005-08-01

    Crystal structures of angiotensin-converting enzyme (ACE) complexed with three inhibitors (lisinopril, captopril, enalapril) provided experimental data for testing the validity of a prior active site model predicting the bound conformation of the inhibitors. The ACE active site model - predicted over 18 years ago using a series of potent ACE inhibitors of diverse chemical structure - was recreated using published data and commercial software. Comparison between the predicted structures of the three inhibitors bound to the active site of ACE and those determined experimentally yielded root mean square deviation (RMSD) values of 0.43-0.81 Å, among the distances defining the active site map. The bound conformations of the chemically relevant atoms were accurately deduced from the geometry of ligands, applying the assumption that the geometry of the active site groups responsible for binding and catalysis of amide hydrolysis was constrained. The mapping of bound inhibitors at the ACE active site was validated for known experimental compounds, so that the constrained conformational search methodology may be applied with confidence when no experimentally determined structure of the enzyme yet exists, but potent, diverse inhibitors are available.

  2. Lasing from fluorescent protein crystals.

    PubMed

    Oh, Heon Jeong; Gather, Malte C; Song, Ji-Joon; Yun, Seok Hyun

    2014-12-15

    We investigated fluorescent protein crystals for potential photonic applications, for the first time to our knowledge. Rod-shaped crystals of enhanced green fluorescent protein (EGFP) were synthesized, with diameters of 0.5-2 μm and lengths of 100-200 μm. The crystals exhibit minimal light scattering due to their ordered structure and generate substantially higher fluorescence intensity than EGFP or dye molecules in solutions. The magnitude of concentration quenching in EGFP crystals was measured to be about 7-10 dB. Upon optical pumping at 485 nm, individual EGFP crystals located between dichroic mirrors generated laser emission with a single-mode spectral line at 513 nm. Our results demonstrate the potential of protein crystals as novel optical elements for self-assembled, micro- or nano-lasers and amplifiers in aqueous environment.

  3. Photonic crystal microspheres

    NASA Astrophysics Data System (ADS)

    Zhokhov, A. A.; Masalov, V. M.; Sukhinina, N. S.; Matveev, D. V.; Dolganov, P. V.; Dolganov, V. K.; Emelchenko, G. A.

    2015-11-01

    Spherical samples of photonic crystals formed by colloidal SiO2 nanoparticles were synthesized. Synthesis of microspheres from 160 nm, 200 nm and 430 nm diameter colloidal nanoparticles was performed over a wide size range, from 5 μm to 50 μm. The mechanism of formation of void microparticles exceeding 50 μm is discussed. The spectral measurements verified the association of the spectra with the peaks of selective reflection from the cubic lattice planes. The microparticle morphology is characterized by scanning electron microscopy (SEM).

  4. Polymerizable ionic liquid crystals.

    PubMed

    Jazkewitsch, Olga; Ritter, Helmut

    2009-09-17

    Polymerizable vinylimidazolium ionic liquids (ILs) that contain mesogenic coumarin and biphenyl units, respectively, have been synthesized. The N-alkylation of N-vinylimidazole with bromoalkylated mesogenic units 7-(6-bromohexyloxy)coumarin (1) and 4,4'-bis(6-bromohexyloxy)biphenyl (2) was then carried out. The thermal behavior of the obtained ILs 3 and 4 was investigated by differential scanning calorimetry and polarizing optical microscopy. These measurements showed that the attached mesogenic units induce the self-assembly of ILs and, therefore, the occurrence of liquid crystalline phases. Subsequently, the ionic liquid crystals (ILCs) 3 and 4 were polymerized by a free-radical mechanism.

  5. Electrohydrodynamically patterned colloidal crystals

    NASA Technical Reports Server (NTRS)

    Hayward, Ryan C. (Inventor); Poon, Hak F. (Inventor); Xiao, Yi (Inventor); Saville, Dudley A. (Inventor); Aksay, Ilhan A. (Inventor)

    2003-01-01

    A method for assembling patterned crystalline arrays of colloidal particles using ultraviolet illumination of an optically-sensitive semiconducting anode while using the anode to apply an electronic field to the colloidal particles. The ultraviolet illumination increases current density, and consequently, the flow of the colloidal particles. As a result, colloidal particles can be caused to migrate from non-illuminated areas of the anode to illuminated areas of the anode. Selective illumination of the anode can also be used to permanently affix colloidal crystals to illuminated areas of the anode while not affixing them to non-illuminated areas of the anode.

  6. Crystallization in detergent performance

    NASA Astrophysics Data System (ADS)

    Verdoes, D.; Van Landschoot, R. C.; Van Rosmalen, G. M.

    1990-01-01

    The effects of various polymeric additives on the crystallization of CaCO 3 in simple soda-based detergent formulations were investigated. The adherence of CaCO 3 on cotton, a great disadvantage of soda-based detergents, was significantly diminished by copolymers of polystyrene sulfonates. A mechanism in which these additives promote the nucleation of CaCO 3 is proposed. Polyacrylates cause an increasing adherence of CaCO 3 on cotton, because the chains adsorb on cotton and CaCO 3

  7. Crystallization of fluorozirconate glasses

    NASA Technical Reports Server (NTRS)

    Bansal, Narottam P.; Doremus, Robert H.; Bruce, A. J.; Moynihan, C. T.

    1984-01-01

    The crystallization of a number of glasses of the fluorozirconate family has been studied (using powder X-ray diffraction and DSC) as a function of time and temperature of heating. The main crystalline phases were beta BaZrF6 and beta BaZr2F10. Stable and metastble transformations to the low-temperature alpha phases were also investigated. The size of crystallites in fully devitrified glasses was calculated (from line broadening of the X-ray diffraction peaks) to be about 60 nm.

  8. 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

  9. Liquid crystals for photonic applications

    NASA Astrophysics Data System (ADS)

    Miniewicz, A.; Gniewek, A.; Parka, J.

    2003-01-01

    In this paper we describe application of liquid crystals in optical imaging and processing. Electrically and optically addressed liquid crystal spatial light modulators are key elements in real-time holographic devices. Their implementation for beam steering and hologram formation is briefly discussed. The Joint Fourier transform optical correlator for pattern recognition is presented as well as the use of liquid crystals for the adaptive optics purposes is discussed.

  10. Protein crystal growth tray assembly

    NASA Technical Reports Server (NTRS)

    Carter, Daniel C. (Inventor); Miller, Teresa Y. (Inventor)

    1992-01-01

    A protein crystal growth tray assembly includes a tray that has a plurality of individual crystal growth chambers. Each chamber has a movable pedestal which carries a protein crystal growth compartment at an upper end. The several pedestals for each tray assembly are ganged together for concurrent movement so that the solutions in the various pedestal growth compartments can be separated from the solutions in the tray's growth chambers until the experiment is to be activated.

  11. Inorganic Crystal Structure Database (ICSD)

    National Institute of Standards and Technology Data Gateway

    SRD 84 FIZ/NIST Inorganic Crystal Structure Database (ICSD) (PC database for purchase)   The Inorganic Crystal Structure Database (ICSD) is produced cooperatively by the Fachinformationszentrum Karlsruhe(FIZ) and the National Institute of Standards and Technology (NIST). The ICSD is a comprehensive collection of crystal structure data of inorganic compounds containing more than 140,000 entries and covering the literature from 1915 to the present.

  12. Crystal Chemistry of Melanite Garnet

    NASA Technical Reports Server (NTRS)

    Nguyen, Dawn Marie

    1999-01-01

    This original project resulted in a detailed crystal chemical data map of a titanium rich garnet (melanite) suite that originates from the Crowsnest Volcanics of Alberta Canada. Garnet is typically present during the partial melting of the earth's mantle to produce basalt. Prior studies conducted at Youngstown State University have yielded questions as to the crystal structure of the melanite. In the Studies conducted at Youngstown State University, through the use of single crystal x-ray diffraction, the c-axis appears to be distorted creating a tetragonal crystal instead of the typical cubic crystal of garnets. The micro probe was used on the same suite of titanium rich garnets as used in the single crystal x-ray diffraction. The combination of the single crystal x-ray research and the detailed microprobe research will allow us to determine the exact crystal chemical structure of the melanite garnet. The crystal chemical data was gathered through the utilization of the SX100 Electron Probe Micro Analyzer. Determination of the exact chemical nature may prove useful in modeling the ultramafic source rock responsible for the formation of the titanium rich lunar basalts.

  13. Protein crystal growth in space

    NASA Technical Reports Server (NTRS)

    Bugg, C. E.; Clifford, D. W.

    1987-01-01

    The advantages of protein crystallization in space, and the applications of protein crystallography to drug design, protein engineering, and the design of synthetic vaccines are examined. The steps involved in using protein crystallography to determine the three-dimensional structure of a protein are discussed. The growth chamber design and the hand-held apparatus developed for protein crystal growth by vapor diffusion techniques (hanging-drop method) are described; the experimental data from the four Shuttle missions are utilized to develop hardware for protein crystal growth in space and to evaluate the effects of gravity on protein crystal growth.

  14. Quartz-crystal-oscillator hygrometer

    NASA Technical Reports Server (NTRS)

    Kruger, R.

    1977-01-01

    Measuring device, which eliminates complex and expensive optical components by electronically sensing dewpoint of water vapor in gas, employs piezoelectric crystal oscillator, supportive circuitry, temperature regulators, and readout.

  15. Surface Relaxation in Protein Crystals

    NASA Technical Reports Server (NTRS)

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

    2002-01-01

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

  16. Crystal face temperature determination means

    DOEpatents

    Nason, D.O.; Burger, A.

    1994-11-22

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

  17. Design for validation: An approach to systems validation

    NASA Technical Reports Server (NTRS)

    Carter, William C.; Dunham, Janet R.; Laprie, Jean-Claude; Williams, Thomas; Howden, William; Smith, Brian; Lewis, Carl M. (Editor)

    1989-01-01

    Every complex system built is validated in some manner. Computer validation begins with review of the system design. As systems became too complicated for one person to review, validation began to rely on the application of adhoc methods by many individuals. As the cost of the changes mounted and the expense of failure increased, more organized procedures became essential. Attempts at devising and carrying out those procedures showed that validation is indeed a difficult technical problem. The successful transformation of the validation process into a systematic series of formally sound, integrated steps is necessary if the liability inherent in the future digita-system-based avionic and space systems is to be minimized. A suggested framework and timetable for the transformtion are presented. Basic working definitions of two pivotal ideas (validation and system life-cyle) are provided and show how the two concepts interact. Many examples are given of past and present validation activities by NASA and others. A conceptual framework is presented for the validation process. Finally, important areas are listed for ongoing development of the validation process at NASA Langley Research Center.

  18. Better photonic crystal fibres

    NASA Astrophysics Data System (ADS)

    Knight, J. C.

    2008-11-01

    The development of optical fibers with two-dimensional patterns of air holes running down their length has reinvigorated research in the field of fiber optics. It has greatly - and fundamentally - broadened the range of specialty optical fibers, by demonstrating that optical fibers can be more 'special" than previously thought. Applications of such special fibers have not been hard to find. Fibers with air cores have made it possible to deliver energetic femtosecond-scale optical pulses, transform limited, as solitons, using single-mode fiber. Other fibers with anomalous dispersion at visible wavelengths have spawned a new generation of single-mode optical supercontinuum sources, spanning visible and near-infrared wavelengths and based on compact pump sources. A third example is in the field of fiber lasers, where the use of photonic crystal fiber concepts has led to a new hybrid laser technology, in which the very high numerical aperture available using air holes have enabled fibers so short they are more naturally held straight than bent. However, commercial success demands more than just a fiber and an application. The useful properties of the fibers need to be optimized for the specific application. This tutorial will describe some of the basic physics and technology behind these photonic crystal fibers (PCF's), illustrated with some of the impressive demonstrations of the past 18 months.

  19. Sonofragmentation of Ionic Crystals.

    PubMed

    Kim, Hyo Na; Suslick, Kenneth S

    2017-02-24

    Mechanochemistry deals with the interface between the chemical and the mechanical worlds and explores the physical and chemical changes in materials caused by an input of mechanical energy. As such, the chemical and physical effects of ultrasound, i.e., sonochemistry, are forms of mechanochemistry. In this paper, the fragmentation of ionic crystals during ultrasonic irradiation of slurries has been quantitatively investigated: the rate of fragmentation depends strongly on the strength of the materials (as measured by Vickers hardness or by Young's modulus). This is a mechanochemical extension of the Bell-Evans-Polanyi Principle or Hammond's Postulate: activation energies for solid fracture correlate with binding energies of solids. Sonofragmentation is unaffected by slurry loading or liquid vapor pressure, but is suppressed by increasing liquid viscosity. The mechanism of the particle breakage is consistent with a direct interaction between the shockwaves created by the ultrasound (through acoustic cavitation) and the solid particles in the slurry. Fragmentation is proposed to occur from defects in the solids induced by compression-expansion, bending, or torsional distortions of the crystals.

  20. Crystal structure of triclopyr.

    PubMed

    Cho, Seonghwa; Kim, Jineun; Jeon, Youngeun; Kim, Tae Ho

    2014-09-01

    In the title compound {systematic name: 2-[(3,5,6-tri-chloro-pyridin-2-yl)-oxy]acetic acid}, the herbicide triclopyr, C7H4Cl3NO3, the asymmetric unit comprises two independent mol-ecules in which the dihedral angles between the mean plane of the carb-oxy-lic acid group and the pyridyl ring plane are 79.3 (6) and 83.8 (5)°. In the crystal, pairs of inter-molecular O-H⋯O hydrogen bonds form dimers through an R 2 (2)(8) ring motif and are extended into chains along [100] by weak π-π inter-actions [ring centroid separations = 3.799 (4) and 3.810 (4) Å]. In addition, short inter-molecular Cl⋯Cl contacts [3.458 (2) Å] connect the chains, yielding a two-dimensional architecture extending parallel to (020). The crystal studied was found to be non-merohedrally twinned with the minor component being 0.175 (4).

  1. Crystal structure of triclopyr

    PubMed Central

    Cho, Seonghwa; Kim, Jineun; Jeon, Youngeun; Kim, Tae Ho

    2014-01-01

    In the title compound {systematic name: 2-[(3,5,6-tri­chloro­pyridin-2-yl)­oxy]acetic acid}, the herbicide triclopyr, C7H4Cl3NO3, the asymmetric unit comprises two independent mol­ecules in which the dihedral angles between the mean plane of the carb­oxy­lic acid group and the pyridyl ring plane are 79.3 (6) and 83.8 (5)°. In the crystal, pairs of inter­molecular O—H⋯O hydrogen bonds form dimers through an R 2 2(8) ring motif and are extended into chains along [100] by weak π–π inter­actions [ring centroid separations = 3.799 (4) and 3.810 (4) Å]. In addition, short inter­molecular Cl⋯Cl contacts [3.458 (2) Å] connect the chains, yielding a two-dimensional architecture extending parallel to (020). The crystal studied was found to be non-merohedrally twinned with the minor component being 0.175 (4). PMID:25309266

  2. Crystal Compton Camera

    SciTech Connect

    Ziock, Klaus-Peter; Braverman, Joshua B.; Harrison, Mark J.; Hornback, Donald Eric; Fabris, Lorenzo; Newby, Jason

    2013-09-26

    Stand-off detection is one of the most important radiation detection capabilities for arms control and the control of illicit nuclear materials. For long range passive detection one requires a large detector and a means of “seeing through” the naturally occurring and varying background radiation, i.e. imaging. Arguably, Compton imaging is the best approach over much of the emission band suitable for long range detection. It provides not only imaging, but more information about the direction of incidence of each detected gamma-ray than the alternate approach of coded-aperture imaging. The directional information allows one to reduce the background and hence improve the sensitivity of a measurement. However, to make an efficient Compton imager requires localizing and measuring the simultaneous energy depositions when gamma-rays Compton scatter and are subsequently captured within a single, large detector volume. This concept has been demonstrated in semi-conductor detectors (HPGe, CZT, Si) but at ~ $1k/cm3 these materials are too expensive to build the large systems needed for standoff detection. Scintillator detectors, such as NaI(Tl), are two orders of magnitude less expensive and possess the energy resolution required to make such an imager. However, they do not currently have the ability to localize closely spaced, simultaneous energy depositions in a single large crystal. In this project we are applying a new technique that should, for the first time ever, allow cubic-millimeter event localization in a bulk scintillator crystal.

  3. Liquid Crystals in Tribology

    PubMed Central

    Carrión, Francisco-José; Martínez-Nicolás, Ginés; Iglesias, Patricia; Sanes, José; Bermúdez, María-Dolores

    2009-01-01

    Two decades ago, the literature dealing with the possible applications of low molar mass liquid crystals, also called monomer liquid crystals (MLCs), only included about 50 references. Today, thousands of papers, conference reports, books or book chapters and patents refer to the study and applications of MLCs as lubricants and lubricant additives and efforts are made to develop new commercial applications. The development of more efficient lubricants is of paramount technological and economic relevance as it is estimated that half the energy consumption is dissipated as friction. MLCs have shown their ability to form ordered boundary layers with good load-carrying capacity and to lower the friction coefficients, wear rates and contact temperature of sliding surfaces, thus contributing to increase the components service life and to save energy. This review includes the use of MLCs in lubrication, and dispersions of MLCs in conventional polymers (PDMLCs). Finally, new lubricating system composed of MLC blends with surfactants, ionic liquids or nanophases are considered. PMID:19865534

  4. Frustrated polymer crystal structures

    NASA Astrophysics Data System (ADS)

    Lotz, B.; Strasbourg, 67083

    1997-03-01

    Several crystal structures or polymorphs of chiral or achiral polymers and biopolymers with three fold conformation of the helix have been found to conform to a common and -with one exception(Puterman, M. et al, J. Pol. Sci., Pol. Phys. Ed., 15, 805 (1977))- hitherto unsuspected packing scheme. The trigonal unit-cell contains three isochiral helices; the azimuthal setting of one helix differs significantly from that of the other two, leading to a so-called frustrated packing scheme, in which the environment of conformationally identical helices differs. Two variants of the frustrated scheme are analyzed. Similarities with frustrated two dimensional magnetic systems are underlined. Various examples of frustration in polymer crystallography are illustrated via the elucidation or reinterpretation of crystal phases or polymorphs of polyolefins, polyesters, cellulose derivatives and polypeptides. Structural manifestations (including AFM evidence) and morphological consequences of frustration are presented, which help diagnose the existence of this original packing of polymers.(Work done with L. Cartier, D. Dorset, S. Kopp, T. Okihara, M. Schumacher, W. Stocker.)

  5. Low-cost single-crystal turbine blades, volume 2

    NASA Technical Reports Server (NTRS)

    Strangman, T. E.; Dennis, R. E.; Heath, B. R.

    1984-01-01

    The overall objectives of Project 3 were to develop the exothermic casting process to produce uncooled single-crystal (SC) HP turbine blades in MAR-M 247 and higher strength derivative alloys and to validate the materials process and components through extensive mechanical property testing, rig testing, and 200 hours of endurance engine testing. These Program objectives were achieved. The exothermic casting process was successfully developed into a low-cost nonproperietary method for producing single-crystal castings. Single-crystal MAR-M 247 and two derivatives DS alloys developed during this project, NASAIR 100 and SC Alloy 3, were fully characterized through mechanical property testing. SC MAR-M 247 shows no significant improvement in strength over directionally solidified (DS) MAR-M 247, but the derivative alloys, NASAIR 100 and Alloy 3, show significant tensile and fatigue improvements. Firtree testing, holography, and strain-gauge rig testing were used to determine the effects of the anisotropic characteristics of single-crystal materials. No undesirable characteristics were found. In general, the single-crystal material behaved similarly to DS MAR-M 247. Two complete engine sets of SC HP turbine blades were cast using the exothermic casting process and fully machined. These blades were successfully engine-tested.

  6. Crystallization of Synthetic Blast Furnace Slags Pertaining to Heat Recovery

    NASA Astrophysics Data System (ADS)

    Esfahani, Shaghayegh

    Heat recovery from blast furnace slags is often contradicted by another requirement, to generate amorphous slag for its use in cement production. As both the rate and extent of heat recovery and slag structure are determined by its cooling rate, a relation between the crystallization kinetics and the cooling conditions is highly desired. In this study, CaO-SiO2-Al2O3-MgO (CSAM) slags with different basicities were studied by Single Hot Thermocouple Technique (SHTT) during isothermal treatment and non-isothermal cooling. Their time-temperature-transformation (TTT) and continuous-cooling-transformation (CCT) diagrams were plotted and compared with each other. Furthermore, kinetic parameters such as the Avrami exponent (n), rate coefficient (K) and effective activation energy of crystallization (EA) were found by analysis of data obtained from in-situ observation of glassy to crystalline transformation and image analysis. Also, the dependence of nucleation and growth rates of crystalline phases were quantified as a function of time, temperature, and slag basicity. Together with the observations of crystallization front, they facilitated establishing the dominant mechanisms of crystallization. In addition to the experimental work, a mathematical model was developed and validated that predicts the amount of crystallization during cooling. A second mathematical model that calculates temperature history of slag during its cooling was coupled with the above model, to allow studying the effect of parameters such as the slag/air ratio and granule size on the heat recovery and glass content of slag.

  7. Glasses crystallize rapidly at free surfaces by growing crystals upward.

    PubMed

    Sun, Ye; Zhu, Lei; Kearns, Kenneth L; Ediger, Mark D; Yu, Lian

    2011-04-12

    The crystallization of glasses and amorphous solids is studied in many fields to understand the stability of amorphous materials, the fabrication of glass ceramics, and the mechanism of biomineralization. Recent studies have found that crystal growth in organic glasses can be orders of magnitude faster at the free surface than in the interior, a phenomenon potentially important for understanding glass crystallization in general. Current explanations differ for surface-enhanced crystal growth, including released tension and enhanced mobility at glass surfaces. We report here a feature of the phenomenon relevant for elucidating its mechanism: Despite their higher densities, surface crystals rise substantially above the glass surface as they grow laterally, without penetrating deep into the bulk. For indomethacin (IMC), an organic glass able to grow surface crystals in two polymorphs (α and γ), the growth front can be hundreds of nanometers above the glass surface. The process of surface crystal growth, meanwhile, is unperturbed by eliminating bulk material deeper than some threshold depth (ca. 300 nm for α IMC and less than 180 nm for γ IMC). As a growth strategy, the upward-lateral growth of surface crystals increases the system's surface energy, but can effectively take advantage of surface mobility and circumvent slow growth in the bulk.

  8. Single-crystal silicon optical fiber by direct laser crystallization

    SciTech Connect

    Ji, Xiaoyu; Lei, Shiming; Yu, Shih -Ying; Cheng, Hiu Yan; Liu, Wenjun; Poilvert, Nicolas; Xiong, Yihuang; Dabo, Ismaila; Mohney, Suzanne E.; Badding, John V.; Gopalan, Venkatraman

    2016-12-05

    Semiconductor core optical fibers with a silica cladding are of great interest in nonlinear photonics and optoelectronics applications. Laser crystallization has been recently demonstrated for crystallizing amorphous silicon fibers into crystalline form. Here we explore the underlying mechanism by which long single-crystal silicon fibers, which are novel platforms for silicon photonics, can be achieved by this process. Using finite element modeling, we construct a laser processing diagram that reveals a parameter space within which single crystals can be grown. Utilizing this diagram, we illustrate the creation of single-crystal silicon core fibers by laser crystallizing amorphous silicon deposited inside silica capillary fibers by high-pressure chemical vapor deposition. The single-crystal fibers, up to 5.1 mm long, have a very welldefined core/cladding interface and a chemically pure silicon core that leads to very low optical losses down to ~0.47-1dB/cm at the standard telecommunication wavelength (1550 nm). Furthermore, tt also exhibits a photosensitivity that is comparable to bulk silicon. Creating such laser processing diagrams can provide a general framework for developing single-crystal fibers in other materials of technological importance.

  9. Single-crystal silicon optical fiber by direct laser crystallization

    DOE PAGES

    Ji, Xiaoyu; Lei, Shiming; Yu, Shih -Ying; ...

    2016-12-05

    Semiconductor core optical fibers with a silica cladding are of great interest in nonlinear photonics and optoelectronics applications. Laser crystallization has been recently demonstrated for crystallizing amorphous silicon fibers into crystalline form. Here we explore the underlying mechanism by which long single-crystal silicon fibers, which are novel platforms for silicon photonics, can be achieved by this process. Using finite element modeling, we construct a laser processing diagram that reveals a parameter space within which single crystals can be grown. Utilizing this diagram, we illustrate the creation of single-crystal silicon core fibers by laser crystallizing amorphous silicon deposited inside silica capillarymore » fibers by high-pressure chemical vapor deposition. The single-crystal fibers, up to 5.1 mm long, have a very welldefined core/cladding interface and a chemically pure silicon core that leads to very low optical losses down to ~0.47-1dB/cm at the standard telecommunication wavelength (1550 nm). Furthermore, tt also exhibits a photosensitivity that is comparable to bulk silicon. Creating such laser processing diagrams can provide a general framework for developing single-crystal fibers in other materials of technological importance.« less

  10. Spatial optical solitons in nonlinear photonic crystals.

    PubMed

    Sukhorukov, Andrey A; Kivshar, Yuri S

    2002-03-01

    We study spatial optical solitons in a one-dimensional nonlinear photonic crystal created by an array of thin-film nonlinear waveguides, the so-called Dirac-comb nonlinear lattice. We analyze modulational instability of the extended Bloch-wave modes and also investigate the existence and stability of bright, dark, and "twisted" spatially localized modes in such periodic structures. Additionally, we discuss both similarities and differences of our general results with the simplified models of nonlinear periodic media described by the discrete nonlinear Schrödinger equation, derived in the tight-binding approximation, and the coupled-mode theory, valid for shallow periodic modulations of the optical refractive index.

  11. Biaxial constitutive equation development for single crystals

    NASA Technical Reports Server (NTRS)

    Jordan, E. H.

    1984-01-01

    Current gas turbine engines utilize large single crystal superalloy components in the hot section. Structural analysis of these components requires a valid stress strain temperature constitutive equation. The goal of the program described is to create one or more models and verify these models. A constitutive equation based on an assumed slip behavior of a single slip system was formulated, programmed, and debugged. Specifically, the basic theory for a model based on aggravating slip behavior on individual slip systems was formulated and programmed and some simulations were run using assumed values of constants. In addition, a formulation allowing strain controlled simulations was completed. An approach to structural analysis of the specimen was developed. This approach uses long tube consistancy conditions and finite elements specially formulated to take advantage of the symmetry of 100 oriented specimens.

  12. Mobile propeller dynamometer validation

    NASA Astrophysics Data System (ADS)

    Morris, Mason Wade

    With growing interest in UAVs and OSU's interest in propeller performance and manufacturing, evaluating UAV propeller and propulsion system performance has become essential. In attempts to evaluate these propellers a mobile propeller dynamometer has been designed, built, and tested. The mobile dyno has been designed to be cost effective through the ability to load it into the back of a test vehicle to create simulated forward flight characteristics. This allows much larger propellers to be dynamically tested without the use of large and expensive wind tunnels. While evaluating the accuracy of the dyno, several improvements had to be made to get accurate results. The decisions made to design and improve the mobile propeller dyno will be discussed along with attempts to validate the dyno by comparing its results against known sources. Another large part of assuring the accuracy of the mobile dyno is determining if the test vehicle will influence the flow going into the propellers being tested. The flow into the propeller needs to be as smooth and uniform as possible. This is determined by characterizing the boundary layer and accelerated flow over the vehicle. This evaluation was accomplished with extensive vehicle aerodynamic measurements with the use of full-scale tests using a pitot-rake and the actual test vehicle. Additional tests were conducted in Oklahoma State University's low speed wind tunnel with a 1/8-scale model using qualitative flow visualization with smoke. Continuing research on the mobile dyno will be discussed, along with other potential uses for the dyno.

  13. Stellar opacity validations

    NASA Astrophysics Data System (ADS)

    Le Pennec, M.; Turck-Chièze, S.; Ribeyre, X.; Ducret, J. E.

    2014-12-01

    This paper focuses on the radiative transfer in stars where opacities seem to raise problems : β-Cephei and solar-type stars. We first concentrate on the iron bump (log T = 5.25), responsible for β-Cephei pulsations through the κ-mechanism. To discriminate between the different opacity calculations used to predict their oscillations, new well-qualified calculations are used and compared to OP calculations. In parallel with this theoretical work, an experiment has been conducted at LULI 2000 in 2011 on iron and nickel. We show that this extended study pushes for the revision of the tables in the conditions corresponding to the iron bump region, at least for nickel. We will then deal with the Sun case for which we are preparing an opacity experiment on a high-energy laser, in some conditions of the radiative zone (T = [2 - 15 ×10^{6} K] and ρ = [0.2 - 150 g/cm^{3}]). To reach these high temperatures and densities at LTE and validate or not plasma effects and line widths, we are exploring an approach called the Double Ablation Front, driven by plasma radiative effects. The 1D simulations performed with the code CHIC show that with this technique, we could reach conditions equivalent to the conditions of half of the solar radiative zone.

  14. Engineering calcium oxalate crystal formation in Arabidopsis

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Many plants accumulate crystals of calcium oxalate. Just how these crystals form remains unknown. To gain insight into the mechanisms regulating calcium oxalate crystal formation, a crystal engineering approach was initiated utilizing the non-crystal accumulating plant, Arabidopsis. The success of t...

  15. Fabrication of X-ray compatible microfluidic platforms for protein crystallization

    PubMed Central

    Guha, Sudipto; Perry, Sarah L.; Pawate, Ashtamurthy S.; Kenis, Paul J.A.

    2012-01-01

    This paper reports a method for fabricating multilayer microfluidic protein crystallization platforms using different materials to achieve X-ray transparency and compatibility with crystallization reagents. To validate this approach, three soluble proteins, lysozyme, thaumatin, and ribonuclease A were crystallized on-chip, followed by on-chip diffraction data collection. We also report a chip with an array of wells for screening different conditions that consume a minimal amount of protein solution as compared to traditional screening methods. A large number of high quality isomorphous protein crystals can be grown in the wells, after which slices of X-ray data can be collected from many crystals still residing within the wells. Complete protein structures can be obtained by merging these slices of data followed by further processing with crystallography software. This approach of using an x-ray transparent chip for screening, crystal growth, and X-ray data collection enables room temperature data collection from many crystals mounted in parallel, which thus eliminates crystal handling and minimizes radiation damage to the crystals. PMID:23105172

  16. Optics of globular photonic crystals

    SciTech Connect

    Gorelik, V S

    2007-05-31

    The results of experimental and theoretical studies of the optical properties of globular photonic crystals - new physical objects having a crystal structure with the lattice period exceeding considerably the atomic size, are presented. As globular photonic crystals, artificial opal matrices consisting of close-packed silica globules of diameter {approx}200 nm were used. The reflection spectra of these objects characterising the parameters of photonic bands existing in these crystals in the visible spectral region are presented. The idealised models of the energy band structure of photonic crystals investigated in the review give analytic dispersion dependences for the group velocity and the effective photon mass in a globular photonic crystal. The characteristics of secondary emission excited in globular photonic crystals by monochromatic and broadband radiation are presented. The results of investigations of single-photon-excited delayed scattering of light observed in globular photonic crystals exposed to cw UV radiation and radiation from a repetitively pulsed copper vapour laser are presented. The possibilities of using globular photonic crystals as active media for lasing in different spectral regions are considered. It is proposed to use globular photonic crystals as sensitive sensors in optoelectronic devices for molecular analysis of organic and inorganic materials by the modern methods of laser spectroscopy. The results of experimental studies of spontaneous and stimulated globular scattering of light are discussed. The conditions for observing resonance and two-photon-excited delayed scattering of light are found. The possibility of accumulation and localisation of the laser radiation energy inside a globular photonic crystal is reported. (review)

  17. A Navier-Stokes phase-field crystal model for colloidal suspensions

    SciTech Connect

    Praetorius, Simon Voigt, Axel

    2015-04-21

    We develop a fully continuous model for colloidal suspensions with hydrodynamic interactions. The Navier-Stokes Phase-Field Crystal model combines ideas of dynamic density functional theory with particulate flow approaches and is derived in detail and related to other dynamic density functional theory approaches with hydrodynamic interactions. The derived system is numerically solved using adaptive finite elements and is used to analyze colloidal crystallization in flowing environments demonstrating a strong coupling in both directions between the crystal shape and the flow field. We further validate the model against other computational approaches for particulate flow systems for various colloidal sedimentation problems.

  18. Diffraction imaging for in situ characterization of double-crystal X-ray monochromators

    SciTech Connect

    Stoupin, Stanislav; Liu, Zunping; Heald, Steve M.; Brewe, Dale; Meron, Mati

    2015-10-30

    In this paper, imaging of the Bragg-reflected X-ray beam is proposed and validated as an in situ method for characterization of the performance of double-crystal monochromators under the heat load of intense synchrotron radiation. A sequence of images is collected at different angular positions on the reflectivity curve of the second crystal and analyzed. The method provides rapid evaluation of the wavefront of the exit beam, which relates to local misorientation of the crystal planes along the beam footprint on the thermally distorted first crystal. The measured misorientation can be directly compared with the results of finite element analysis. Finally, the imaging method offers an additional insight into the local intrinsic crystal quality over the footprint of the incident X-ray beam.

  19. Diffraction imaging for in situ characterization of double-crystal X-ray monochromators

    DOE PAGES

    Stoupin, Stanislav; Liu, Zunping; Heald, Steve M.; ...

    2015-10-30

    In this paper, imaging of the Bragg-reflected X-ray beam is proposed and validated as an in situ method for characterization of the performance of double-crystal monochromators under the heat load of intense synchrotron radiation. A sequence of images is collected at different angular positions on the reflectivity curve of the second crystal and analyzed. The method provides rapid evaluation of the wavefront of the exit beam, which relates to local misorientation of the crystal planes along the beam footprint on the thermally distorted first crystal. The measured misorientation can be directly compared with the results of finite element analysis. Finally,more » the imaging method offers an additional insight into the local intrinsic crystal quality over the footprint of the incident X-ray beam.« less

  20. The role of flexibility and molecular shape in the crystallization of proteins by surface mutagenesis

    PubMed Central

    Devedjiev, Yancho D.

    2015-01-01

    Proteins are dynamic systems and interact with their environment. The analysis of crystal contacts in the most accurately determined protein structures (d < 1.5 Å) reveals that in contrast to current views, static disorder and high side-chain entropy are common in the crystal contact area. These observations challenge the validity of the theory that presumes that the occurrence of well ordered patches of side chains at the surface is an essential prerequisite for a successful crystallization event. The present paper provides evidence in support of the approach for understanding protein crystallization as a process dependent on multiple factors, each with its relative contribution, rather than a phenomenon driven by a few dominant physicochemical characteristics. The role of the molecular shape as a factor in the crystallization of proteins by surface mutagenesis is discussed. PMID:25664789

  1. A test of improved force field parameters for urea: molecular-dynamics simulations of urea crystals.

    PubMed

    Özpınar, Gül Altınbaş; Beierlein, Frank R; Peukert, Wolfgang; Zahn, Dirk; Clark, Timothy

    2012-08-01

    Molecular-dynamics (MD) simulations of urea crystals of different shapes (cubic, rectangular prismatic, and sheet) have been performed using our previously published force field for urea. This force field has been validated by calculating values for the cohesive energy, sublimation temperature, and melting point from the MD data. The cohesive energies computed from simulations of cubic and rectangular prismatic urea crystals in vacuo at 300 K agreed very well with the experimental sublimation enthalpies reported at 298 K. We also found very good agreement between the melting points as observed experimentally and from simulations. Annealing the crystals just below the melting point leads to reconstruction to form crystal faces that are consistent with experimental observations. The simulations reveal a melting mechanism that involves surface (corner/edge) melting well below the melting point, and rotational disordering of the urea molecules in the corner/edge regions of the crystal, which then facilitates the translational motion of these molecules.

  2. Fundamental absorption edge and normal dispersion of β-LiNaSO4 single crystal

    NASA Astrophysics Data System (ADS)

    Abdulwahab, A. M.

    2016-12-01

    Lithium sodium sulfate (LiNaSO4)single crystal is synthesized and grown by the slow evaporation of supersaturated aqueous solution at constant temperature (303 K). Powder X-ray diffraction is measured at room temperature in order to identify the grown crystal. Transmittance and reflectance measurements are used to study the optical properties of this crystal at room temperature phase (β-LiNaSO4). The type of transition is determined. The values of optical energy gap, phonon energy and phonon equivalent temperature are calculated. Refractive index and extinction coefficient are calculated as functions of photon energy. The obtained optical data of β-LiNaSO4 crystal are used to check the validity of both Wemple-DiDomenico and Cauchy-Sellimaier dispersion relations. Normal dispersion parameters of this crystal are calculated for the first time.

  3. Predicting polymeric crystal structures by evolutionary algorithms

    NASA Astrophysics Data System (ADS)

    Zhu, Qiang; Sharma, Vinit; Oganov, Artem R.; Ramprasad, Ramamurthy

    2014-10-01

    The recently developed evolutionary algorithm USPEX proved to be a tool that enables accurate and reliable prediction of structures. Here we extend this method to predict the crystal structure of polymers by constrained evolutionary search, where each monomeric unit is treated as a building block with fixed connectivity. This greatly reduces the search space and allows the initial structure generation with different sequences and packings of these blocks. The new constrained evolutionary algorithm is successfully tested and validated on a diverse range of experimentally known polymers, namely, polyethylene, polyacetylene, poly(glycolic acid), poly(vinyl chloride), poly(oxymethylene), poly(phenylene oxide), and poly (p-phenylene sulfide). By fixing the orientation of polymeric chains, this method can be further extended to predict the structures of complex linear polymers, such as all polymorphs of poly(vinylidene fluoride), nylon-6 and cellulose. The excellent agreement between predicted crystal structures and experimentally known structures assures a major role of this approach in the efficient design of the future polymeric materials.

  4. Validity on Trial: Psychometric and Legal Conceptualizations of Validity

    ERIC Educational Resources Information Center

    Sireci, Stephen G.; Parker, Polly

    2006-01-01

    The psychometric literature is replete with comprehensive discussions of test validity, test validation, and the characteristics of quality assessment programs. The most authoritative source for guidance regarding sound test development and evaluation practices is the Standards for Educational and Psychological Testing. However, the Standards are…

  5. Growing Crystals on the Ceiling.

    ERIC Educational Resources Information Center

    Christman, Robert A.

    1980-01-01

    Described is a method of studying growing crystals in a classroom utilizing a carrousel projector standing vertically. A saturated salt solution is placed on a slide on the lens of the projector and the heat from the projector causes the water to evaporate and salt to crystalize. (Author/DS)

  6. Dynamically controlled crystal growth system

    NASA Technical Reports Server (NTRS)

    Bray, Terry L. (Inventor); Kim, Larry J. (Inventor); Harrington, Michael (Inventor); DeLucas, Lawrence J. (Inventor)

    2002-01-01

    Crystal growth can be initiated and controlled by dynamically controlled vapor diffusion or temperature change. In one aspect, the present invention uses a precisely controlled vapor diffusion approach to monitor and control protein crystal growth. The system utilizes a humidity sensor and various interfaces under computer control to effect virtually any evaporation rate from a number of different growth solutions simultaneously by means of an evaporative gas flow. A static laser light scattering sensor can be used to detect aggregation events and trigger a change in the evaporation rate for a growth solution. A control/follower configuration can be used to actively monitor one chamber and accurately control replicate chambers relative to the control chamber. In a second aspect, the invention exploits the varying solubility of proteins versus temperature to control the growth of protein crystals. This system contains miniature thermoelectric devices under microcomputer control that change temperature as needed to grow crystals of a given protein. Complex temperature ramps are possible using this approach. A static laser light scattering probe also can be used in this system as a non-invasive probe for detection of aggregation events. The automated dynamic control system provides systematic and predictable responses with regard to crystal size. These systems can be used for microgravity crystallization projects, for example in a space shuttle, and for crystallization work under terrestial conditions. The present invention is particularly useful for macromolecular crystallization, e.g. for proteins, polypeptides, nucleic acids, viruses and virus particles.

  7. Crystals Out of "Thin Air".

    ERIC Educational Resources Information Center

    Vollmer, John J.

    2000-01-01

    Describes how to grow crystals of para-dichlorobenzene beginning with household mothballs. The crystals form through sublimation (solid to gas) and deposition (gas to solid). Also discusses demonstrations of evaporation and condensation and odor perception, which can support a study of the kinetic theory and phases of matter. (WRM)

  8. Crystallization of steroids in gels

    NASA Astrophysics Data System (ADS)

    Kalkura, S. Narayana; Devanarayanan, S.

    1991-03-01

    The crystal growth and characterization of certain steriods, viz., cholesterol, cholesteryl acetate, β-sitosterol, progesterone and testosterone, in a silica gel medium is discussed. The present study shows that the single test tube diffusion method can be used to grow crystals of steroids in a silica gel medium by the reduction of steroid solubility.

  9. Photoelastic sphenoscopic analysis of crystals

    SciTech Connect

    Montalto, L.; Rinaldi, D.; Scalise, L.; Paone, N.; Davì, F.

    2016-01-15

    Birefringent crystals are at the basis of various devices used in many fields, from high energy physics to biomedical imaging for cancer detection. Since crystals are the main elements of those devices, a great attention is paid on their quality and properties. Here, we present a methodology for the photoelastic analysis of birefringent crystals, based on a modified polariscope. Polariscopes using conoscopic observation are used to evaluate crystals residual stresses in a precise but time consuming way; in our methodology, the light beam shape, which impinges on the crystal surface, has been changed from a solid cone (conoscopy) to a wedge (sphenoscopy). Since the polarized and coherent light is focused on a line rather than on a spot, this allows a faster analysis which leads to the observation, at a glance, of a spatial distribution of stress along a line. Three samples of lead tungstate crystals have been observed using this technique, and the obtained results are compared with the conoscopic observation. The samples have been tested both in unloaded condition and in a loaded configuration induced by means of a four points bending device, which allows to induce a known stress distribution in the crystal. The obtained results confirm, in a reliable manner, the sensitivity of the methodology to the crystal structure and stress.

  10. Novel inclusion in laser crystals

    SciTech Connect

    Ma Xiaoshan; Wang Siting; Jin Zhongru; Shen Yafang; Chen Jiaguang

    1986-12-01

    In growing alexandrite crystals, a novel inclusion has been found. The inclusions are quantitatively analyzed by an electronic probe and the mechanism for forming inclusions is suggested. In our Bridgman MgF/sub 2/ crystals, the inclusions in <001> direction have also been observed.

  11. Protein crystal growth in microgravity

    NASA Technical Reports Server (NTRS)

    Carter, Daniel

    1992-01-01

    The overall scientific goals and rationale for growing protein crystals in microgravity are discussed. Data on the growth of human serum albumin crystals which were produced during the First International Microgravity Laboratory (IML-1) are presented. Potential scientific advantages of the utilization of Space Station Freedom are discussed.

  12. Photoelastic sphenoscopic analysis of crystals

    NASA Astrophysics Data System (ADS)

    Montalto, L.; Rinaldi, D.; Scalise, L.; Paone, N.; Davı, F.

    2016-01-01

    Birefringent crystals are at the basis of various devices used in many fields, from high energy physics to biomedical imaging for cancer detection. Since crystals are the main elements of those devices, a great attention is paid on their quality and properties. Here, we present a methodology for the photoelastic analysis of birefringent crystals, based on a modified polariscope. Polariscopes using conoscopic observation are used to evaluate crystals residual stresses in a precise but time consuming way; in our methodology, the light beam shape, which impinges on the crystal surface, has been changed from a solid cone (conoscopy) to a wedge (sphenoscopy). Since the polarized and coherent light is focused on a line rather than on a spot, this allows a faster analysis which leads to the observation, at a glance, of a spatial distribution of stress along a line. Three samples of lead tungstate crystals have been observed using this technique, and the obtained results are compared with the conoscopic observation. The samples have been tested both in unloaded condition and in a loaded configuration induced by means of a four points bending device, which allows to induce a known stress distribution in the crystal. The obtained results confirm, in a reliable manner, the sensitivity of the methodology to the crystal structure and stress.

  13. Model Valid Prediction Period

    NASA Astrophysics Data System (ADS)

    Chu, P. C.

    2002-12-01

    A new concept, valid prediction period (VPP), is presented here to evaluate model predictability. VPP is defined as the time period when the prediction error first exceeds a pre-determined criterion (i.e., the tolerance level). It depends not only on the instantaneous error growth, but also on the noise level, the initial error, and tolerance level. The model predictability skill is then represented by a single scalar, VPP. The longer the VPP, the higher the model predictability skill is. A theoretical framework on the base of the backward Fokker-Planck equation is developed to determine the probability density function (pdf) of VPP. Verification of a Gulf of Mexico nowcast/forecast model is used as an example to demonstrate the usefulness of VPP. Power law scaling is found in the mean square error of displacement between drifting buoy and model trajectories (both at 50 m depth). The pdf of VPP is asymmetric with a long and broad tail on the higher value side, which suggests long-term predictability. The calculations demonstrate that the long-term (extreme long such as 50-60 day) predictability is not an "outlier" and shares the same statistical properties as the short-term predictions. References Chu P. C., L. M. Ivanov, and C.W. Fan, Backward Fokker-Plank equation for determining model predictability with unknown initial error distribution. J. Geophys. Res., in press, 2002. Chu P.C., L.M.Ivanov, T.M. Margolina, and O.V.Melnichenko, 2002b: On probabilistic stability of an atmospheric model to various amplitude perturbations. J. Atmos. Sci., in press Chu P.C., L.M. Ivanov, L. Kantha, O.V. Melnichenko and Y.A. Poberezhny, 2002c: The long-term correlations and power decay law in model prediction skill. Geophys. Res. Let., in press.

  14. Code inspection instructional validation

    NASA Technical Reports Server (NTRS)

    Orr, Kay; Stancil, Shirley

    1992-01-01

    The Shuttle Data Systems Branch (SDSB) of the Flight Data Systems Division (FDSD) at Johnson Space Center contracted with Southwest Research Institute (SwRI) to validate the effectiveness of an interactive video course on the code inspection process. The purpose of this project was to determine if this course could be effective for teaching NASA analysts the process of code inspection. In addition, NASA was interested in the effectiveness of this unique type of instruction (Digital Video Interactive), for providing training on software processes. This study found the Carnegie Mellon course, 'A Cure for the Common Code', effective for teaching the process of code inspection. In addition, analysts prefer learning with this method of instruction, or this method in combination with other methods. As is, the course is definitely better than no course at all; however, findings indicate changes are needed. Following are conclusions of this study. (1) The course is instructionally effective. (2) The simulation has a positive effect on student's confidence in his ability to apply new knowledge. (3) Analysts like the course and prefer this method of training, or this method in combination with current methods of training in code inspection, over the way training is currently being conducted. (4) Analysts responded favorably to information presented through scenarios incorporating full motion video. (5) Some course content needs to be changed. (6) Some content needs to be added to the course. SwRI believes this study indicates interactive video instruction combined with simulation is effective for teaching software processes. Based on the conclusions of this study, SwRI has outlined seven options for NASA to consider. SwRI recommends the option which involves creation of new source code and data files, but uses much of the existing content and design from the current course. Although this option involves a significant software development effort, SwRI believes this option

  15. Crystal structure of fluroxypyr

    PubMed Central

    Park, Hyunjin; Choi, Myong Yong; Kwon, Eunjin; Kim, Tae Ho

    2016-01-01

    In the title pyridine herbicide {systematic name: 2-[(4-amino-3,5-di­chloro-6-fluoro­pyridin-2-yl)­oxy]acetic acid}, C7H5Cl2FN2O3, the mean plane of the carb­oxy­lic acid substituent and the pyridyl ring plane subtend a dihedral angle of 77.5 (1)°. In the crystal, pairs of O—H⋯O hydrogen bonds form inversion dimers with R 2 2(8) ring motifs. These are extended into chains along [011] by N—H⋯F hydrogen bonds. In addition, inter­molecular N—H⋯O hydrogen bonds and weak π–π inter­actions [ring centroid separation = 3.4602 (9) Å] connect these chains into a three-dimensional network. PMID:27980844

  16. Frequency mixing crystal

    DOEpatents

    Ebbers, Christopher A.; Davis, Laura E.; Webb, Mark

    1992-01-01

    In a laser system for converting infrared laser light waves to visible light comprising a source of infrared laser light waves and means of harmoic generation associated therewith for production of light waves at integral multiples of the frequency of the original wave, the improvement of said means of harmonic generation comprising a crystal having the chemical formula X.sub.2 Y(NO.sub.3).sub.5 .multidot.2 nZ.sub.2 o wherein X is selected from the group consisting of Li, Na, K, Rb, Cs, and Tl; Y is selected from the group consisting of Sc, Y, La, Ce, Nd, Pr, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Al, Ga, and In; Z is selected from the group consisting of H and D; and n ranges from 0 to 4.

  17. Lamella settler crystallizer

    DOEpatents

    Maimoni, Arturo

    1990-01-01

    A crystallizer which incorporates a lamella settler and which is particularly applicable for use in batteries and power cells for electric vehicles or stationary applications. The lamella settler can be utilized for coarse particle separation or for agglomeration, and is particularly applicable to aluminum-air batteries or power cells for solving the hydrargillite (aluminum-hydroxide) removal problems from such batteries. This invention provides the advantages of very low energy consumption, turbulence, shear, cost and maintenance. Thus, due to the low shear and low turbulence of this invention, it is particularly effective in the control of aluminum hydroxide particle size distribution in the various sections of an aluminum-air system, as well as in other electrochemical systems requiring separation for phases of different densities.

  18. Lamella settler crystallizer

    DOEpatents

    Maimoni, A.

    1990-12-18

    A crystallizer is described which incorporates a lamella settler and which is particularly applicable for use in batteries and power cells for electric vehicles or stationary applications. The lamella settler can be utilized for coarse particle separation or for agglomeration, and is particularly applicable to aluminum-air batteries or power cells for solving the hydrargillite (aluminum-hydroxide) removal problems from such batteries. This invention provides the advantages of very low energy consumption, turbulence, shear, cost and maintenance. Thus, due to the low shear and low turbulence of this invention, it is particularly effective in the control of aluminum hydroxide particle size distribution in the various sections of an aluminum-air system, as well as in other electrochemical systems requiring separation for phases of different densities. 3 figs.

  19. Crystal structure of mandipropamid.

    PubMed

    Park, Hyunjin; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho

    2015-10-01

    In the title compound, C23H22ClNO4 (systematic name: (RS)-2-(4-chloro-phen-yl)-N-{2-[3-meth-oxy-4-(prop-2-yn-1-yl-oxy)phen-yl]eth-yl}-2-(prop-2-yn-yloxy)acetamide), an amide fungicide, the dihedral angle between the chloro-benzene and benzene rings is 65.36 (6)°. In the crystal, N-H⋯O hydrogen bonds lead to zigzag supra-molecular chains along the c axis (glide symmetry). These are connected into layers by C-H⋯O and C-H⋯π inter-actions; the layers stack along the a axis with no specific inter-molecular inter-actions between them.

  20. Adaptive liquid crystal iris

    NASA Astrophysics Data System (ADS)

    Zhou, Zuowei; Ren, Hongwen; Nah, Changwoon

    2014-09-01

    We report an adaptive iris using a twisted nematic liquid crystal (TNLC) and a hole-patterned electrode. When an external voltage is applied to the TNLC, the directors of the LC near the edge of the hole are unwound first. Increasing the voltage can continuously unwind the LC toward the center. When the TNLC is sandwiched between two polarizers, it exhibits an iris-like character. Either a normal mode or a reverse mode can be obtained depending on the orientations of the transmission axes of the two polarizers. In contrast to liquid irises, the aperture of the LC iris can be closed completely. Moreover, it has the advantages of large variability of the aperture diameter, good stability, and low power consumption. Applications of the device for controlling the laser energy and correcting optical aberration are foreseeable.

  1. Natural photonic crystals

    NASA Astrophysics Data System (ADS)

    Vigneron, Jean Pol; Simonis, Priscilla

    2012-10-01

    Photonic structures appeared in nature several hundred millions years ago. In the living world, color is used for communication and this important function strongly impacts the individual chances of survival as well as the chances to reproduce. This has a statistical influence on species populations. Therefore, because they are involved in evolution, natural color-generating structures are - from some point of view - highly optimized. In this short review, a survey is presented of the development of natural photonic crystal-type structures occurring in insects, spiders, birds, fishes and other marine animals, in plants and more, from the standpoint of light-waves propagation. One-, two-, and three-dimensional structures will be reviewed with selected examples.

  2. Clathrate colloidal crystals

    NASA Astrophysics Data System (ADS)

    Lin, Haixin; Lee, Sangmin; Sun, Lin; Spellings, Matthew; Engel, Michael; Glotzer, Sharon C.; Mirkin, Chad A.

    2017-03-01

    DNA-programmable assembly has been used to deliberately synthesize hundreds of different colloidal crystals spanning dozens of symmetries, but the complexity of the achieved structures has so far been limited to small unit cells. We assembled DNA-modified triangular bipyramids (~250-nanometer long edge, 177-nanometer short edge) into clathrate architectures. Electron microscopy images revealed that at least three different structures form as large single-domain architectures or as multidomain materials. Ordered assemblies, isostructural to clathrates, were identified with the help of molecular simulations and geometric analysis. These structures are the most sophisticated architectures made via programmable assembly, and their formation can be understood based on the shape of the nanoparticle building blocks and mode of DNA functionalization.

  3. Voxelated liquid crystal elastomers

    NASA Astrophysics Data System (ADS)

    Ware, Taylor H.; McConney, Michael E.; Wie, Jeong Jae; Tondiglia, Vincent P.; White, Timothy J.

    2015-02-01

    Dynamic control of shape can bring multifunctionality to devices. Soft materials capable of programmable shape change require localized control of the magnitude and directionality of a mechanical response. We report the preparation of soft, ordered materials referred to as liquid crystal elastomers. The direction of molecular order, known as the director, is written within local volume elements (voxels) as small as 0.0005 cubic millimeters. Locally, the director controls the inherent mechanical response (55% strain) within the material. In monoliths with spatially patterned director, thermal or chemical stimuli transform flat sheets into three-dimensional objects through controlled bending and stretching. The programmable mechanical response of these materials could yield monolithic multifunctional devices or serve as reconfigurable substrates for flexible devices in aerospace, medicine, or consumer goods.

  4. Crystal structure of flumioxazin

    PubMed Central

    Park, Hyunjin; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho

    2015-01-01

    The title compound {systematic name: 2-[7-fluoro-3,4-di­hydro-3-oxo-4-(prop-2-yn-1-yl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetra­hydro-1H-iso­indole-1,3(2H)-dione}, C19H15FN2O4, is a dicarboximide herbicide. The dihedral angle between the male­imide and benzene ring planes is 66.13 (5)°. In the crystal, C—H⋯O and C—H⋯F hydrogen bonds and weak C—H⋯π inter­actions [3.5601 (19) Å] link adjacent mol­ecules, forming two-dimensional networks extending parallel to the (110) plane. PMID:26594468

  5. Bacterial ice crystal controlling proteins.

    PubMed

    Lorv, Janet S H; Rose, David R; Glick, Bernard R

    2014-01-01

    Across the world, many ice active bacteria utilize ice crystal controlling proteins for aid in freezing tolerance at subzero temperatures. Ice crystal controlling proteins include both antifreeze and ice nucleation proteins. Antifreeze proteins minimize freezing damage by inhibiting growth of large ice crystals, while ice nucleation proteins induce formation of embryonic ice crystals. Although both protein classes have differing functions, these proteins use the same ice binding mechanisms. Rather than direct binding, it is probable that these protein classes create an ice surface prior to ice crystal surface adsorption. Function is differentiated by molecular size of the protein. This paper reviews the similar and different aspects of bacterial antifreeze and ice nucleation proteins, the role of these proteins in freezing tolerance, prevalence of these proteins in psychrophiles, and current mechanisms of protein-ice interactions.

  6. Bacterial Ice Crystal Controlling Proteins

    PubMed Central

    Lorv, Janet S. H.; Rose, David R.; Glick, Bernard R.

    2014-01-01

    Across the world, many ice active bacteria utilize ice crystal controlling proteins for aid in freezing tolerance at subzero temperatures. Ice crystal controlling proteins include both antifreeze and ice nucleation proteins. Antifreeze proteins minimize freezing damage by inhibiting growth of large ice crystals, while ice nucleation proteins induce formation of embryonic ice crystals. Although both protein classes have differing functions, these proteins use the same ice binding mechanisms. Rather than direct binding, it is probable that these protein classes create an ice surface prior to ice crystal surface adsorption. Function is differentiated by molecular size of the protein. This paper reviews the similar and different aspects of bacterial antifreeze and ice nucleation proteins, the role of these proteins in freezing tolerance, prevalence of these proteins in psychrophiles, and current mechanisms of protein-ice interactions. PMID:24579057

  7. Development of single crystal membranes

    NASA Technical Reports Server (NTRS)

    Stormont, R. W.; Cocks, F. H.

    1972-01-01

    The design and construction of a high pressure crystal growth chamber was accomplished which would allow the growth of crystals under inert gas pressures of 2 MN/sq m (300 psi). A novel crystal growth technique called EFG was used to grow tubes and rods of the hollandite compounds, BaMgTi7O16, K2MgTi7O16, and tubes of sodium beta-alumina, sodium magnesium-alumina, and potassium beta-alumina. Rods and tubes grown are characterized using metallographic and X-ray diffraction techniques. The hollandite compounds are found to be two or three-phase, composed of coarse grained orientated crystallites. Single crystal c-axis tubes of sodium beta-alumina were grown from melts containing excess sodium oxide. Additional experiments demonstrated that crystals of magnesia doped beta-alumina and potassium beta-alumina also can be achieved by this EFG technique.

  8. Texturing studies on ? bulk crystals

    NASA Astrophysics Data System (ADS)

    Prabhakaran, D.; Subramanian, C.

    1998-08-01

    Textured crystals of 0953-2048/11/8/013/img2 have been grown by the platinum strip heater-floating zone technique. Texturing ratio and phase purity (Bi-2212) of the grown crystals were calculated from the x-ray diffraction data. Chemical compositions of the grown crystals were quantified from the inductively coupled plasma analysis. 0953-2048/11/8/013/img3 was found to be increased by 2 K for a lower level of substitution and a superconductor to semiconductor transition was observed for the higher order Y substitution. Oxygen stoichiometries of the Y substituted crystals were quantified from the iodometry titration method. Micro-twinning along the growth axis was revealed during etching studies for the cleaved crystals.

  9. Modeling liquid crystal polymeric devices

    NASA Astrophysics Data System (ADS)

    Gimenez Pinto, Vianney Karina

    The main focus of this work is the theoretical and numerical study of materials that combine liquid crystal and polymer. Liquid crystal elastomers are polymeric materials that exhibit both the ordered properties of the liquid crystals and the elastic properties of rubbers. Changing the order of the liquid crystal molecules within the polymer network can induce shape change. These materials are very valuable for applications such as actuators, sensors, artificial muscles, haptic displays, etc. In this work we apply finite element elastodynamics simulations to study the temperature induced shape deformation in nematic elastomers with complex director microstructure. In another topic, we propose a novel numerical method to model the director dynamics and microstructural evolution of three dimensional nematic and cholesteric liquid crystals. Numerical studies presented in this work are in agreement with experimental observations and provide insight into the design of application devices.

  10. Polymeric photonic crystals

    NASA Astrophysics Data System (ADS)

    Fink, Yoel

    Two novel and practical methods for controlling the propagation of light are presented: First, a design criterion that permits truly omnidirectional reflectivity for all polarizations of incident light over a wide selectable range of frequencies is derived and used in fabricating an alldielectric omnidirectional reflector consisting of multilayer films. Because the omnidirectionality criterion is general, it can be used to design omnidirectional reflectors in many frequency ranges of interest. Potential uses depend on the geometry of the system. For example, coating of an enclosure will result in an optical cavity. A hollow tube will produce a low-loss, broadband waveguide, planar film could be used as an efficient radiative heat barrier or collector in thermoelectric devices. A comprehensive framework for creating one-, two- and three-dimensional photonic crystals out of self- assembling block copolymers has been formulated. In order to form useful band gaps in the visible regime, periodic dielectric structures made of typical block copolymers need to be modified to obtain appropriate characteristic distances and dielectric constants. Moreover, the absorption and defect concentration must also be controlled. This affords the opportunity to tap into the large structural repertoire, the flexibility and intrinsic tunability that these self-assembled block copolymer systems offer. A block copolymer was used to achieve a self assembled photonic band gap in the visible regime. By swelling the diblock copolymer with lower molecular weight constituents control over the location of the stop band across the visible regime is achieved. One and three- dimensional crystals have been formed by changing the volume fraction of the swelling media. Methods for incorporating defects of prescribed dimensions into the self-assembled structures have been explored leading to the construction of a self assembled microcavity light- emitting device. (Copies available exclusively from MIT

  11. Near infra red spectroscopy as a multivariate process analytical tool for predicting pharmaceutical co-crystal concentration.

    PubMed

    Wood, Clive; Alwati, Abdolati; Halsey, Sheelagh; Gough, Tim; Brown, Elaine; Kelly, Adrian; Paradkar, Anant

    2016-09-10

    The use of near infra red spectroscopy to predict the concentration of two pharmaceutical co-crystals; 1:1 ibuprofen-nicotinamide (IBU-NIC) and 1:1 carbamazepine-nicotinamide (CBZ-NIC) has been evaluated. A partial least squares (PLS) regression model was developed for both co-crystal pairs using sets of standard samples to create calibration and validation data sets with which to build and validate the models. Parameters such as the root mean square error of calibration (RMSEC), root mean square error of prediction (RMSEP) and correlation coefficient were used to assess the accuracy and linearity of the models. Accurate PLS regression models were created for both co-crystal pairs which can be used to predict the co-crystal concentration in a powder mixture of the co-crystal and the active pharmaceutical ingredient (API). The IBU-NIC model had smaller errors than the CBZ-NIC model, possibly due to the complex CBZ-NIC spectra which could reflect the different arrangement of hydrogen bonding associated with the co-crystal compared to the IBU-NIC co-crystal. These results suggest that NIR spectroscopy can be used as a PAT tool during a variety of pharmaceutical co-crystal manufacturing methods and the presented data will facilitate future offline and in-line NIR studies involving pharmaceutical co-crystals.

  12. Incremental validity of a measure of emotional intelligence.

    PubMed

    Chapman, Benjamin P; Hayslip, Bert

    2005-10-01

    After the Schutte Self-Report Inventory of Emotional Intelligence (SSRI; Schutte et al., 1998) was found to predict college grade point average, subsequent emotional intelligence (EI)-college adjustment research has used inconsistent measures and widely varying criteria, resulting in confusion about the construct's predictive validity. In this study, we assessed the SSRI's incremental validity for a wide range of adjustment criteria, pitting it against a competing trait measure, the NEO Five-Factor Inventory (NEO-FFI; Costa & McCrae, 1992), and tests of fluid and crystallized intelligence. At a broad bandwidth, the SSRI total score significantly and uniquely predicted variance beyond NEO-FFI domain scores in the UCLA Loneliness Scale, Revised (Russell, Peplau, & Cutrono, 1980) scores. Higher fidelity analyses using previously identified SSRI factors and NEO-FFI item clusters revealed that the SSRI's Optimism/Mood Regulation and Emotion Appraisal factors contributed unique variance to self-reported study habits and social stress, respectively. The potential moderation of incremental validity by gender did not reach significance due to loss of power from splitting the sample, and mediational analyses revealed the SSRI Optimism/Mood Regulation factor was both directly and indirectly related to various criteria. We discuss the small magnitude of incremental validity coefficients and the differential incremental validity of SSRI factor and total scores.

  13. Growing single crystals in silica gel

    NASA Technical Reports Server (NTRS)

    Rubin, B.

    1970-01-01

    Two types of chemical reactions for crystal growing are discussed. The first is a metathetical reaction to produce calcium tartrate tetrahydrate crystals, the second is a decomplexation reaction to produce cuprous chloride crystals.

  14. Crystallization of Biological Macromolecules in Microgravity

    NASA Technical Reports Server (NTRS)

    Snell, Edward H.; Chayen, N. E.; Helliwell, J. R.

    2000-01-01

    An overview of microgravity crystallization explaining why microgravity is used, factors which affect crystallization, the method of crystallization and the environment itself. Also covered is how best to make use of microgravity and what the future might hold.

  15. A Crystal Plasticity Model of Fatigue of Dissimilar Magnesium Alloy Bi-Crystals

    NASA Astrophysics Data System (ADS)

    Knight, Simon

    A crystal plasticity finite element (CPFE) model was applied to the fatigue deformation of dissimilar Mg alloy bi-crystals. The mesoscopic stress-strain and microscopic slip and twinning behaviour of the model were first validated with experimental tension and compression data of pure Mg single crystals. High-cycle fatigue (HCF) simulations up to 1000 cycles were then used to systematically examine the effect of different textures on the cyclic deformation behavior of Mg AZ31-AZ80 bi-crystals at room-temperature. Fatigue behaviour was characterized in terms of the mesoscopic average stress-strain response and the evolution of the microscopic deformation (slip/twin activity). The model captures load asymmetry, cyclic hardening/softening and ratcheting. However, the model did not capture stress concentrations at the grain boundary (GB) for the grain shapes considered. Either basal slip or tensile twinning was activated for any given orientation. When the soft AZ31 grain is oriented for basal slip almost all the shear strain is contained in that grain and has approximately ten times more accumulated shear strain than the other orientations. The results reveal there is a strong effect from orientation combinations on the cyclic deformation wherein a "hard" orientation shields a "soft" orientation from strain. When the AZ80 grain is oriented for basal slip and the AZ31 grain is oriented for tensile twinning the bi-crystal is soft, but only in one direction since twinning is a polar mechanism. Approximately half as much accumulated shear strain occurs when both grains are oriented for twinning. The slip and twinning systems quickly harden in AZ31 in the first few hundred cycles and the shear strain amplitudes quickly devolve from values between 10-6 - 10-4 to around 10-7; values which would be difficult to resolve experimentally. The results were then extended to the possible effects on the fatigue behaviour of an AZ31-AZ80 dissimilar weld idealized as an AZ31-AZ80 bi-crystal

  16. Concurrent Validity and Holland's Theory

    ERIC Educational Resources Information Center

    Gaffey, Robert L.; Walsh, W. Bruce

    1974-01-01

    This study was designed to explore two areas: (1) the concurrent validity of Holland's theory for employed men using four different operational definitions of vocational orientation, and (2) the relationships among all possible combinations of same named scales across the four inventories. Findings tend to support the concurrent validity of…

  17. Software Verification and Validation Procedure

    SciTech Connect

    Olund, Thomas S.

    2008-09-15

    This Software Verification and Validation procedure provides the action steps for the Tank Waste Information Network System (TWINS) testing process. The primary objective of the testing process is to provide assurance that the software functions as intended, and meets the requirements specified by the client. Verification and validation establish the primary basis for TWINS software product acceptance.

  18. Ecological reality and model validation

    SciTech Connect

    Cale, Jr, W. G.; Shugart, H. H.

    1980-01-01

    Definitions of model realism and model validation are developed. Ecological and mathematical arguments are then presented to show that model equations which explicitly treat ecosystem processes can be systematically improved such that greater realism is attained and the condition of validity is approached. Several examples are presented.

  19. Narratives Validate Communicative Development Inventories.

    ERIC Educational Resources Information Center

    Eriksson, Marten

    2001-01-01

    Explores the criterion-related validity of the Swedish version of the Communicative Development Inventories--Words & Sentences (SECDI-W&S). In two follow-up procedures, SECDI-W&S was used to assess vocabulary and grammar skills in 32 children. Overall results confirm that the criterion-related validity of the SECDI is sound. (Author/VWL)

  20. Compiler validates units and dimensions

    NASA Technical Reports Server (NTRS)

    Levine, F. E.

    1980-01-01

    Software added to compiler for automated test system for Space Shuttle decreases computer run errors by providing offline validation of engineering units used system command programs. Validation procedures are general, though originally written for GOAL, a free-form language that accepts "English-like" statements, and may be adapted to other programming languages.

  1. Tournament Validity: Testing Golfer Competence

    ERIC Educational Resources Information Center

    Sachau, Daniel; Andrews, Lance; Gibson, Bryan; DeNeui, Daniel

    2009-01-01

    The concept of tournament validity was explored in three studies. In the first study, measures of tournament validity, difficulty, and discrimination were introduced. These measures were illustrated with data from the 2003 Professional Golf Association (PGA) Tour. In the second study, the relationship between difficulty and discrimination was…

  2. DDA Computations of Porous Aggregates with Forsterite Crystals: Effects of Crystal Shape and Crystal Mass Fraction

    NASA Astrophysics Data System (ADS)

    Wooden, Diane H.; Lindsay, Sean S.; Harker, David; Woodward, Charles; Kelley, Michael S. P.; Kolokolova, Ludmilla

    2015-08-01

    Porous aggregate grains are commonly found in cometary dust samples and are needed to model cometary IR spectral energy distributions (SEDs). Models for thermal emissions from comets require two forms of silicates: amorphous and crystalline. The dominant crystal resonances observed in comet SEDs are from Forsterite (Mg2SiO4). The mass fractions that are crystalline span a large range from 0.0 ≤ fcrystal ≤ 0.74. Radial transport models that predict the enrichment of the outer disk (>25 AU at 1E6 yr) by inner disk materials (crystals) are challenged to yield the highend-range of cometary crystal mass fractions. However, in current thermal models, Forsterite crystals are not incorporated into larger aggregate grains but instead only are considered as discrete crystals. A complicating factor is that Forsterite crystals with rectangular shapes better fit the observed spectral resonances in wavelength (11.0-11.15 μm, 16, 19, 23.5, 27, and 33 μm), feature asymmetry and relative height (Lindley et al. 2013) than spherically or elliptically shaped crystals. We present DDA-DDSCAT computations of IR absorptivities (Qabs) of 3 μm-radii porous aggregates with 0.13 ≤ fcrystal ≤ 0.35 and with polyhedral-shaped Forsterite crystals. We can produce crystal resonances with similar appearance to the observed resonances of comet Hale-Bopp. Also, a lower mass fraction of crystals in aggregates can produce the same spectral contrast as a higher mass fraction of discrete crystals; the 11µm and 23 µm crystalline resonances appear amplified when crystals are incorporated into aggregates composed otherwise of spherically shaped amorphous Fe-Mg olivines and pyroxenes. We show that the optical properties of a porous aggregate is not linear combination of its monomers, so aggregates need to be computed. We discuss the consequence of lowering comet crystal mass fractions by modeling IR SEDs with aggregates with crystals, and the implications for radial transport models of our

  3. THE CRYSTAL STRUCTURE OF DIPHENYLTELLURIUM DIBROMIDE,

    DTIC Science & Technology

    TELLURIUM COMPOUNDS, *ORGANOMETALLIC COMPOUNDS, CRYSTAL STRUCTURE , CRYSTAL STRUCTURE , BROMIDES, SYMMETRY(CRYSTALLOGRAPHY), X RAY DIFFRACTION, FOURIER ANALYSIS, LEAST SQUARES METHOD, MOLECULAR STRUCTURE, CHEMICAL BONDS.

  4. Novel Continuum Modeling of Crystal Surface Evolution

    NASA Astrophysics Data System (ADS)

    Kandel, Daniel

    2003-03-01

    Below the roughening temperature the evolution of crystal surfaces proceeds by the nucleation, flow and annihilation of discrete atomic steps. The appropriate mathematical model of the evolution of such surfaces is discrete in nature, and consists of coupled equations for the motion, nucelation and annihilation of steps. It is useful, however, to describe surface evolution in terms of continuum models. Such models are more amenable to analytical treatments and have enormous computational advantages over their discrete counterparts. Standard continuum models successfully describe the evolution of surfaces with smooth morphology, but completely fail when the surface has singularities such as facets. It is an interesting and important challenge to develop continuum descriptions of surfaces with singularities, since in many cases the singularities drive the evolution of the whole system. In the talk I will present a conceptually new approach to continuum modeling of surface evolution, termed Configurational Continuum [1], which is valid even in singular regions. The approach consists of a new definition of the continuum limit. It is equivalent to standard continuum for very smooth morphology, but is radically different from it in singular regions, where it becomes equivalent to the discrete models. The validity of configurational continuum will be demonstrated on several simple systems. [1] N. Israeli and D. Kandel, Phys. Rev. Lett. 88, 116103 (2002).

  5. Spatial filtering with photonic crystals

    SciTech Connect

    Maigyte, Lina; Staliunas, Kestutis

    2015-03-15

    Photonic crystals are well known for their celebrated photonic band-gaps—the forbidden frequency ranges, for which the light waves cannot propagate through the structure. The frequency (or chromatic) band-gaps of photonic crystals can be utilized for frequency filtering. In analogy to the chromatic band-gaps and the frequency filtering, the angular band-gaps and the angular (spatial) filtering are also possible in photonic crystals. In this article, we review the recent advances of the spatial filtering using the photonic crystals in different propagation regimes and for different geometries. We review the most evident configuration of filtering in Bragg regime (with the back-reflection—i.e., in the configuration with band-gaps) as well as in Laue regime (with forward deflection—i.e., in the configuration without band-gaps). We explore the spatial filtering in crystals with different symmetries, including axisymmetric crystals; we discuss the role of chirping, i.e., the dependence of the longitudinal period along the structure. We also review the experimental techniques to fabricate the photonic crystals and numerical techniques to explore the spatial filtering. Finally, we discuss several implementations of such filters for intracavity spatial filtering.

  6. Pressure sensor using liquid crystals

    NASA Technical Reports Server (NTRS)

    Parmar, Devendra S. (Inventor); Holmes, Harlan K. (Inventor)

    1994-01-01

    A pressure sensor includes a liquid crystal positioned between transparent, electrically conductive films (18 and 20), that are biased by a voltage (V) which induces an electric field (E) that causes the liquid crystal to assume a first state of orientation. Application of pressure (P) to a flexible, transparent film (24) causes the conductive film (20) to move closer to or farther from the conductive film (18), thereby causing a change in the electric field (E'(P)) which causes the liquid crystal to assume a second state of orientation. Polarized light (P.sub.1) is directed into the liquid crystal and transmitted or reflected to an analyzer (A or 30). Changes in the state of orientation of the liquid crystal induced by applied pressure (P) result in a different light intensity being detected at the analyzer (A or 30) as a function of the applied pressure (P). In particular embodiments, the liquid crystal is present as droplets (10) in a polymer matrix (12) or in cells (14) in a polymeric or dielectric grid (16) material in the form of a layer (13) between the electrically conductive films (18 and 20). The liquid crystal fills the open wells in the polymer matrix (12) or grid (16) only partially.

  7. Crystallization of copper metaphosphate glass

    NASA Technical Reports Server (NTRS)

    Bae, Byeong-Soo; Weinberg, Michael C.

    1993-01-01

    The effect of the valence state of copper in copper metaphosphate glass on the crystallization behavior and glass transition temperature has been investigated. The crystallization of copper metaphosphate is initiated from the surface and its main crystalline phase is copper metaphosphate (Cu(PO)3),independent of the (Cu sup 2+)/(Cu(total)). However, the crystal morphology, the relative crystallization rates, and their temperature dependences are affected by the (Cu sup 2+)/(Cu (total)) ratio in the glass. On the other hand, the totally oxidized glass crystallizes from all over the surface. The relative crystallization rate of the reduced glass to the totally oxidized glass is large at low temperature, but small at high temperature. The glass transition temperature of the glass increases as the (Cu sup 2+)/(Cu(total)) ratio is raised. It is also found that the atmosphere used during heat treatment does not influence the crystallization of the reduced glass, except for the formation of a very thin CuO surface layer when heated in air.

  8. Photonic crystal enhanced cytokine immunoassay.

    PubMed

    Mathias, Patrick C; Ganesh, Nikhil; Cunningham, Brian T

    2009-01-01

    Photonic crystal surfaces are demonstrated as a means for enhancing the detection sensitivity and resolution for assays that use a fluorescent tag to quantify the concentration of an analyte protein molecule in a liquid test sample. Computer modeling of the spatial distribution of resonantly coupled electromagnetic fields on the photonic crystal surface are used to estimate the magnitude of enhancement factor compared to performing the same fluorescent assay on a plain glass surface, and the photonic crystal structure is fabricated and tested to experimentally verify the performance using a sandwich immunoassay for the protein Tumor Necrosis Factor-alpha (TNF-alpha). The demonstrated photonic crystal fabrication method utilizes a nanoreplica molding technique that allows for large-area inexpensive fabrication of the structure in a format that is compatible with confocal microarray laser scanners. The signal-to-noise ratio for fluorescent spots on the photonic crystal is increased by at least five-fold relative to the glass slide, allowing a TNF-alpha concentration of 1.6 pg/ml to be distinguished from noise on a photonic crystal surface. In addition, the minimum quantitative limit of detection on the photonic crystal surface is one-third the limit on the glass slide - a decrease from 18 pg/ml to 6 pg/ml. The increased performance of the immunoassay allows for more accurate quantitation of physiologically relevant concentrations of TNF-alpha in a protein microarray format that can be expanded to multiple cytokines.

  9. Crystal ball single event display

    SciTech Connect

    Grosnick, D.; Gibson, A.; Allgower, C.; Alyea, J. |

    1997-10-15

    The Single Event Display (SED) is a routine that is designed to provide information graphically about a triggered event within the Crystal Ball. The SED is written entirely in FORTRAN and uses the CERN-based HICZ graphing package. The primary display shows the amount of energy deposited in each of the NaI crystals on a Mercator-like projection of the crystals. Ten different shades and colors correspond to varying amounts of energy deposited within a crystal. Information about energy clusters is displayed on the crystal map by outlining in red the thirteen (or twelve) crystals contained within a cluster and assigning each cluster a number. Additional information about energy clusters is provided in a series of boxes containing useful data about the energy distribution among the crystals within the cluster. Other information shown on the event display include the event trigger type and data about {pi}{sup o}`s and {eta}`s formed from pairs of clusters as found by the analyzer. A description of the major features is given, along with some information on how to install the SED into the analyzer.

  10. Dichroic Liquid Crystal Displays

    NASA Astrophysics Data System (ADS)

    Bahadur, Birendra

    The following sections are included: * INTRODUCTION * DICHROIC DYES * Chemical Structure * Chemical and Photochemical Stability * THEORETICAL MODELLING * DEFECTS CAUSED BY PROLONGED LIGHT IRRADIATION * CHEMICAL STRUCTURE AND PHOTOSTABILITY * OTHER PARAMETERS AFFECTING PHOTOSTABILITY * CELL PREPARATION * DICHROIC PARAMETERS AND THEIR MEASUREMENTS * Order Parameter and Dichroic Ratio Of Dyes * Absorbance, Order Parameter and Dichroic Ratio Measurements * IMPACT OF DYE STRUCTURE AND LIQUID CRYSTAL HOST ON PHYSICAL PROPERTIES OF A DICHROIC MIXTURE * Order Parameter and Dichroic Ratio * EFFECT OF LENGTH OF DICHROIC DYES ON THE ORDER PARAMETER * EFFECT OF THE BREADTH OF DYE ON THE ORDER PARAMETER * EFFECT OF THE HOST ON THE ORDER PARAMETER * TEMPERATURE VARIATION OF THE ORDER PARAMETER OF DYES IN A LIQUID CRYSTAL HOST * IMPACT OF DYE CONCENTRATION ON THE ORDER PARAMETER * Temperature Range * Viscosity * Dielectric Constant and Anisotropy * Refractive Indices and Birefringence * solubility43,153-156 * Absorption Wavelength and Auxochromic Groups * Molecular Engineering of Dichroic Dyes * OPTICAL, ELECTRO-OPTICAL AND LIFE PARAMETERS * Colour And CIE Colour space120,160-166 * CIE 1931 COLOUR SPACE * CIE 1976 CHROMATICITY DIAGRAM * CIE UNIFORM COLOUR SPACES & COLOUR DIFFERENCE FORMULAE120,160-166 * Electro-Optical Parameters120 * LUMINANCE * CONTRAST AND CONTRAST RATIO * SWITCHING SPEED * Life Parameters and Failure Modes * DICHROIC MIXTURE FORMULATION * Monochrome Mixture * Black Mixture * ACHROMATIC BLACK MIXTURE FOR HEILMEIER DISPLAYS * Effect of Illuminant on Display Colour * Colour of the Field-On State * Effect of Dye Linewidth * Optimum Centroid Wavelengths * Effect of Dye Concentration * Mixture Formulation Using More Than Three Dyes * ACHROMATIC MIXTURE FOR WHITE-TAYLOR TYPE DISPLAYS * HEILMEIER DISPLAYS * Theoretical Modelling * Threshold Characteristic * Effects of Dye Concentration on Electro-optical Parameters * Effect of Cholesteric Doping * Effect of Alignment

  11. Spherical colloidal photonic crystals.

    PubMed

    Zhao, Yuanjin; Shang, Luoran; Cheng, Yao; Gu, Zhongze

    2014-12-16

    CONSPECTUS: Colloidal photonic crystals (PhCs), periodically arranged monodisperse nanoparticles, have emerged as one of the most promising materials for light manipulation because of their photonic band gaps (PBGs), which affect photons in a manner similar to the effect of semiconductor energy band gaps on electrons. The PBGs arise due to the periodic modulation of the refractive index between the building nanoparticles and the surrounding medium in space with subwavelength period. This leads to light with certain wavelengths or frequencies located in the PBG being prohibited from propagating. Because of this special property, the fabrication and application of colloidal PhCs have attracted increasing interest from researchers. The most simple and economical method for fabrication of colloidal PhCs is the bottom-up approach of nanoparticle self-assembly. Common colloidal PhCs from this approach in nature are gem opals, which are made from the ordered assembly and deposition of spherical silica nanoparticles after years of siliceous sedimentation and compression. Besides naturally occurring opals, a variety of manmade colloidal PhCs with thin film or bulk morphology have also been developed. In principle, because of the effect of Bragg diffraction, these PhC materials show different structural colors when observed from different angles, resulting in brilliant colors and important applications. However, this angle dependence is disadvantageous for the construction of some optical materials and devices in which wide viewing angles are desired. Recently, a series of colloidal PhC materials with spherical macroscopic morphology have been created. Because of their spherical symmetry, the PBGs of spherical colloidal PhCs are independent of rotation under illumination of the surface at a fixed incident angle of the light, broadening the perspective of their applications. Based on droplet templates containing colloidal nanoparticles, these spherical colloidal PhCs can be

  12. Validity Evidence in Scale Development: The Application of Cross Validation and Classification-Sequencing Validation

    ERIC Educational Resources Information Center

    Acar, Tu¨lin

    2014-01-01

    In literature, it has been observed that many enhanced criteria are limited by factor analysis techniques. Besides examinations of statistical structure and/or psychological structure, such validity studies as cross validation and classification-sequencing studies should be performed frequently. The purpose of this study is to examine cross…

  13. A Novel Method for the Image Quality assessment of PET Scanners by Monte Carlo simulations: Effect of the scintillator

    NASA Astrophysics Data System (ADS)

    Karpetas, G. E.; Michail, C. M.; Fountos, G. P.; Kalyvas, N. I.; Valais, I. G.; Kandarakis, I. S.; Panayiotakis, G. S.

    2014-03-01

    The aim of the present study was to propose a comprehensive method for PET scanners image quality assessment, by the simulation of a thin layer chromatography (TLC) flood source with a previous validated Monte-Carlo (MC) model. The model was developed by using the GATE MC package and reconstructed images were obtained using the STIR software, with cluster computing. The PET scanner simulated was the GE Discovery-ST. The TLC source was immersed in 18F-FDG bath solution (1MBq) in order to assess image quality. The influence of different scintillating crystals on PET scanner's image quality, in terms of the MTF, the NNPS and the DQE, was investigated. Images were reconstructed by the commonly used FBP2D, FPB3DRP and the OSMAPOSL (15 subsets, 3 iterations) reprojection algorithms. The PET scanner configuration, incorporating LuAP crystals, provided the optimum MTF values in both 2D and 3DFBP whereas the corresponding configuration with BGO crystals was found with the higher MTF values after OSMAPOSL. The scanner incorporating BGO crystals were also found with the lowest noise levels and the highest DQE values after all image reconstruction algorithms. The plane source can be also useful for the experimental image quality assessment of PET and SPECT scanners in clinical practice.

  14. Crystal cataracts: Human genetic cataract caused by protein crystallization

    NASA Astrophysics Data System (ADS)

    Pande, Ajay; Pande, Jayanti; Asherie, Neer; Lomakin, Aleksey; Ogun, Olutayo; King, Jonathan; Benedek, George B.

    2001-05-01

    Several human genetic cataracts have been linked recently to point mutations in the D crystallin gene. Here we provide a molecular basis for lens opacity in two genetic cataracts and suggest that the opacity occurs because of the spontaneous crystallization of the mutant proteins. Such crystallization of endogenous proteins leading to pathology is an unusual event. Measurements of the solubility curves of crystals of the Arg-58 to His and Arg-36 to Ser mutants of D crystallin show that the mutations dramatically lower the solubility of the protein. Furthermore, the crystal nucleation rate of the mutants is enhanced considerably relative to that of the wild-type protein. It should be noted that, although there is a marked difference in phase behavior, there is no significant difference in protein conformation among the three proteins.

  15. Aperiodic crystals and superspace concepts.

    PubMed

    Janssen, T; Janner, A

    2014-08-01

    For several decades the lattice periodicity of crystals, as shown by Laue, was considered to be their essential property. In the early sixties of the last century compounds were found which for many reasons should be called crystals, but were not lattice periodic. This opened the field of aperiodic crystals. An overview of this development is given. Many materials of this kind were found, sometimes with very interesting properties. In the beginning the development was slow, but the number of structures of this type increased enormously. In the meantime hundreds of scientists have contributed to this field using a multi-disciplinary approach.

  16. Configurable silicon photonic crystal waveguides

    NASA Astrophysics Data System (ADS)

    Prorok, Stefan; Petrov, Alexander; Eich, Manfred; Luo, Jingdong; Jen, Alex K.-Y.

    2013-12-01

    In this Letter, we demonstrate that the mode cut off of a photonic crystal waveguide can be trimmed with high accuracy by electron beam bleaching of a chromophore doped polymer cladding. Using this method, configurable waveguides are realized, which allow for spatially resolved changes of the photonic crystal's effective lattice constant as small as 7.6 pm. We show three different examples how to take advantage of configurable photonic crystal waveguides: Shifting of the complete transmission spectrum, definition of cavities with high quality factor, and tuning of existing cavities.

  17. Automated protein crystal growth facility

    NASA Technical Reports Server (NTRS)

    Donald, Stacey

    1994-01-01

    A customer for the protein crystal growth facility fills the specially designed chamber with the correct solutions, fills the syringes with their quenching solutions, and submits the data needed for the proper growth of their crystal. To make sure that the chambers and syringes are filled correctly, a NASA representative may assist the customer. The data needed is the approximate growth time, the growth temperature, and the desired crystal size, but this data can be changed anytime from the ground, if needed. The chambers are gathered and placed into numbered slots in special drawers. Then, data is entered into a computer for each of the chambers. Technicians map out when each chamber's growth should be activated so that all of the chambers have enough time to grow. All of this data is up-linked to the space station when the previous growth session is over. Anti-vibrational containers need to be constructed for the high forces encountered during the lift off and the landing of the space shuttle, and though our team has not designed these containers, we do not feel that there is any reason why a suitable one could not be made. When the shuttle reaches the space station, an astronaut removes a drawer of quenched chambers from the growth facility and inserts a drawer of new chambers. All twelve of the drawers can be replaced in this fashion. The optical disks can also be removed this way. The old drawers are stored for the trip back to earth. Once inside the growth facility, a chamber is removed by the robot and placed in one of 144 active sites at a time previously picked by a technician. Growth begins when the chamber is inserted into an active site. Then, the sensing system starts to determine the size of the protein crystal. All during the crystal's growth, the customer can view the crystal and read all of the crystal's data, such as growth rate and crystal size. When the sensing system determines that the crystal has reached the predetermined size, the robot is

  18. Multicolor photonic crystal laser array

    SciTech Connect

    Wright, Jeremy B; Brener, Igal; Subramania, Ganapathi S; Wang, George T; Li, Qiming

    2015-04-28

    A multicolor photonic crystal laser array comprises pixels of monolithically grown gain sections each with a different emission center wavelength. As an example, two-dimensional surface-emitting photonic crystal lasers comprising broad gain-bandwidth III-nitride multiple quantum well axial heterostructures were fabricated using a novel top-down nanowire fabrication method. Single-mode lasing was obtained in the blue-violet spectral region with 60 nm of tuning (or 16% of the nominal center wavelength) that was determined purely by the photonic crystal geometry. This approach can be extended to cover the entire visible spectrum.

  19. Configurable silicon photonic crystal waveguides

    SciTech Connect

    Prorok, Stefan; Petrov, Alexander; Eich, Manfred; Luo, Jingdong; Jen, Alex K.-Y.

    2013-12-23

    In this Letter, we demonstrate that the mode cut off of a photonic crystal waveguide can be trimmed with high accuracy by electron beam bleaching of a chromophore doped polymer cladding. Using this method, configurable waveguides are realized, which allow for spatially resolved changes of the photonic crystal's effective lattice constant as small as 7.6 pm. We show three different examples how to take advantage of configurable photonic crystal waveguides: Shifting of the complete transmission spectrum, definition of cavities with high quality factor, and tuning of existing cavities.

  20. Validity of generalized scattering equations and corresponding inelastic-cross-section expressions for comprehensive electron diffraction conditions

    NASA Astrophysics Data System (ADS)

    Allen, L. J.; Josefsson, T. W.

    1996-05-01

    Generalized scattering equations for electron diffraction in a crystalline environment have recently been derived with the assumption that the zeroth-order Laue zone (ZOLZ) lies parallel to the crystal surface (or alternatively that the zone axis is parallel to the crystal surface normal) [L. J. Allen and T. W. Josefsson, Phys. Rev. B 52, 3184 (1995)]. The contribution from higher-order Laue zones (HOLZ's) was not considered. We show that these scattering equations are in fact valid for general orientations of the ZOLZ with respect to the crystal surface, except for the specific case where the ZOLZ lies perpendicular to the surface. Furthermore, a widely applicable expression for the cross section for any type of inelastic scattering in a crystal is shown to be valid for any orientation of the ZOLZ and allows the inclusion of reflections in the HOLZ's.

  1. Crystal growth and annealing method and apparatus

    DOEpatents

    Gianoulakis, Steven E.; Sparrow, Robert

    2001-01-01

    A method and apparatus for producing crystals that minimizes birefringence even at large crystal sizes, and is suitable for production of CaF.sub.2 crystals. The method of the present invention comprises annealing a crystal by maintaining a minimal temperature gradient in the crystal while slowly reducing the bulk temperature of the crystal. An apparatus according to the present invention includes a thermal control system added to a crystal growth and annealing apparatus, wherein the thermal control system allows a temperature gradient during crystal growth but minimizes the temperature gradient during crystal annealing. An embodiment of the present invention comprises a secondary heater incorporated into a conventional crystal growth and annealing apparatus. The secondary heater supplies heat to minimize the temperature gradients in the crystal during the annealing process. The secondary heater can mount near the bottom of the crucible to effectively maintain appropriate temperature gradients.

  2. Electrochemical Quartz Crystal Nanobalance

    NASA Astrophysics Data System (ADS)

    Inzelt, György

    The method of piezoelectric microgravimetry (nanogravimetry) using an electrochemical quartz crystal microbalance (EQCM) or nanobalance (EQCN) can be considered as a novel and much more sensitive version of electrogravimetry. The EQCN technique has become a widely used technique in several areas of electrochemistry, electroanalytical chemistry, bioelectrochemistry, etc. [1-10]. Obviously, mass changes occurring during adsorption, sorption, electrosorption, electrodeposition, or spontaneous deposition can be followed, which is very helpful for the elucidation of reaction mechanism via identification of the species accumulated on the surface. These investigations include metal and alloy deposition, underpotential deposition, electroplating, synthesis of conducting polymers by electropolymerization, adsorption of biologically active materials, and analytical determination of small ions and biomolecules. Of course, the opposite processes, i.e., spontaneous dissolution, electrodissolution, corrosion, can also be studied. Electrochemical oscillations, in which the formation and oxidation of chemisorbed molecular fragments play a determining role, have been studied, too. The majority of the investigations have been devoted to ion and solvent transport associated with the redox transformations of electrochemically active polymers. Similar studies have been carried out regarding polynuclear surface layers such as metal hexacyanometalates as well as inorganic and organic microcrystals of different compositions.

  3. Single Crystal Surfaces

    NASA Astrophysics Data System (ADS)

    Aguilar-Santillan, Joaquin

    2014-06-01

    The present work studies (0001) Al2O3 and (111) Al2MgO4 wetting with pure molten Al by the sessile drop technique from 1073 K to 1473 K (800 °C to 1200 °C) under Ar at PO2 10-15 Pa. Al pure liquid wets a smooth and chemically homogeneous surface of an inert solid, the wetting driving force ( t, T) can be readily studied when surface solid roughness increases in the system. Both crystals planes (0001) Al2O3 and (111) Al2MgO4 have crystallographic surfaces with identical O-2 crystalline positions however considering Mg2+ content in Al2MgO4 structure may influence a reactive mode. Kinetic models results under similar experimental conditions show that Al wetting on (0001) Al2O3 is less reactive than (111) Al2MgO4, however at >1273 K (1000 °C) (0001) Al2O3 transformation occurs and a transition of wetting improves. The (111) Al2MgO4 and Al system promotes interface formations that slow its wetting process.

  4. Structures beyond crystals

    NASA Astrophysics Data System (ADS)

    Hargittai, István

    2010-07-01

    Dan Shechtman made a seminal observation of the appearance on "non-crystallographic" symmetry in an alloy at the US National Bureau of Standards on April 8, 1982. This day has become known as the date of the discovery of quasicrystals. It was not easy to gain recognition for this discovery and the first printed report about it appeared two and a half years after the observation, which then was followed by an avalanche of publications. This was as if theoreticians and other experimentalists had only been waiting for a pioneer to come out with this revolutionary experiment. The discovery of quasicrystals just as the discovery of the structure of biological macromolecules was part of the development in which the framework of classical crystallography was crumbling and generalized crystallography—the science of structures—has emerged that had long been advanced by J. Desmond Bernal and his pupils. The discovery of quasicrystals offers some lessons about the nature of scientific discovery. This contribution presents selected aspects of the recognition of the importance of structures beyond crystals and is by far not a complete history of the areas involved.

  5. Groundwater changes in evaporating basins using gypsum crystals' isotopic compositions

    NASA Astrophysics Data System (ADS)

    Gatti, E.; Bustos, D.; Allwood, A.; Coleman, M. L.

    2014-12-01

    While the dynamics of groundwater evaporation are well known, it is still challenging to reconstruct the water patterns in areas where water is not available anymore. We selected a specific location in White Sands National Monument (WSNM), New Mexico, to validate a method to extract information from hydrated minerals regarding past groundwater evaporation patterns in evaporitic basins. WSNM has gypsum (CaSO4.2H2O) dunes and crystals precipitated from the evaporation of an ancient lake. Our approach aims to extract the water of crystallization of gypsum and measure its oxygen and hydrogen isotopic compositions, in order to reconstruct the groundwater history of the area. The idea is that as the mother brine evaporates its isotopic composition changes continuously, recorded as water of crystallization in successive growth zones of gypsum. To check if the isotopic composition of the salt could effectively differentiate between distinctive humidity conditions, the methodology was tested first on synthetic gypsum grown under controlled humidity and temperature conditions. T and RH% were maintained constant in a glove box and precipitated gypsum was harvested every 24 hours. d2H and d18O of water of crystallization from the synthetic gypsum was extracted using a specially developed technique on a TC/EA. The brine was measured using a Gas Bench II for d18O and an H-Device for d2H on a Thermo Finnigan MAT 253 mass spectrometer. With the method tested, we measured natural gypsum. In order to identify the growth zones we mapped the surface of the crystals using an experimental space flight XRF instrument. Crystals were then sampled for isotopic analyses. Preliminary results suggest that site-specific groundwater changes can be described by the isotopic variations. We will show that the methodology is a reliable and fast method to quantify hydrological changes in a targeted environment. The study is currently ongoing but the full dataset will be presented at the conference.

  6. Implementing an X-ray validation pipeline for the Protein Data Bank

    SciTech Connect

    Gore, Swanand; Velankar, Sameer; Kleywegt, Gerard J.

    2012-04-01

    The implementation of a validation pipeline, based on community recommendations, for future depositions of X-ray crystal structures in the Protein Data Bank is described. There is an increasing realisation that the quality of the biomacromolecular structures deposited in the Protein Data Bank (PDB) archive needs to be assessed critically using established and powerful validation methods. The Worldwide Protein Data Bank (wwPDB) organization has convened several Validation Task Forces (VTFs) to advise on the methods and standards that should be used to validate all of the entries already in the PDB as well as all structures that will be deposited in the future. The recommendations of the X-ray VTF are currently being implemented in a software pipeline. Here, ongoing work on this pipeline is briefly described as well as ways in which validation-related information could be presented to users of structural data.

  7. Crystals and Crystals: On the Mythology of Magmatic Processes

    NASA Astrophysics Data System (ADS)

    Marsh, B.

    2008-12-01

    The intimate records of the deep functioning of magmatic systems reside in the temporal and spatial records of magma flux, composition and crystal load. The records for a single system are piecemeal: Plutons show good spatial records, but poor temporal records. Volcanoes give through lava sequences good temporal records, but no spatial context. Because of this dichotomy, two, almost mutually exclusive, branches of magmatology have developed, whereas in Nature there is only a single process. The processes envisioned in these schools necessary to deliver the end rock record are distinct. It is our tools and historic perspectives that have steered the science, not the subject itself. Due to this approach an almost mythical conception of how magmas function has become commonplace. The circumvention of this dilemma rests in carefully evaluating the records on hand in the light of a broad understanding of the fundamental mechanics of how magma lives and dies. It is these basic principles that promise to unify plutonic and volcanic evidence to reveal the full nature of magmatism on all scales. The two most basic features of all magmatic processes are the universal presence of solidification fronts and the presence or absence of a crystal cargo. Almost without exception (e.g., shallow pressure quenching) all first generation crystals grow in marginal solidification fronts (SFs) bordering all magmas. The package of isotherms bounded by the liquidus and solidus define SFs, which propagate in response to the rate of cooling. All physical and chemical processes occurring within SFs compete with the advancement or retreat of solidification. SFs are governed by crystallinity regimes: Suspension Zone (<25 % xtals), Capture Front (~25 %), Mush Zone (25-55%), Rigidity Front (~55%; Critical Crystallinity), and Rigid Crust Zone (>55% xtals). Magmas are laced with nuclei that multiply and grow when overtaken. Crystal growth rates are bounded; tiny crystals reside at the front of SFs

  8. Oscillatory growth for twisting crystals.

    PubMed

    Ibaraki, Shunsuke; Ise, Ryuta; Ishimori, Koichiro; Oaki, Yuya; Sazaki, Gen; Yokoyama, Etsuro; Tsukamoto, Katsuo; Imai, Hiroaki

    2015-05-18

    We demonstrate the oscillatory phenomenon for the twisting growth of a triclinic crystal through in situ observation of the concentration field around the growing tip of a needle by high-resolution phase-shift interferometry.

  9. Polaron stability in oligoacene crystals.

    PubMed

    Pereira Junior, Marcelo Lopes; Ribeiro Junior, Luiz Antonio

    2017-03-01

    The polaron stability in organic molecular crystals is theoretically investigated in the scope of a two-dimensional Holstein-Peierls model that includes lattice relaxation. Particularly, the investigation is focused on designing a model Hamiltonian that can address properly the polaron properties in different model oligoacene crystals. The findings showed that a suitable choice for a set of parameters can play the role of distinguishing the model crystals and, consequently, different properties related to the polaron stability in these systems are observed. Importantly, the usefulness of this model is stressed by investigating the electronic localization of the polaron, which provides a deeper understanding into the properties associated with the polaron stability in oligoacene crystals.

  10. PREPARATION OF REFRACTORY OXIDE CRYSTALS

    DOEpatents

    Grimes, W.R.; Shaffer, J.H.; Watson, G.M.

    1962-11-13

    A method is given for preparing uranium dioxide, thorium oxide, and beryllium oxide in the form of enlarged individual crystals. The surface of a fused alkali metal halide melt containing dissolved uranium, thorium, or beryllium values is contacted with a water-vapor-bearing inert gas stream at a rate of 5 to 10 cubic centimeters per minute per square centimeter of melt surface area. Growth of individual crystals is obtained by prolonged contact. Beryllium oxide-coated uranium dioxide crystals are prepared by disposing uranium dioxide crystals 5 to 20 microns in diameter in a beryllium-containing melt and contacting the melt with a water-vapor-bearing inert gas stream in the same manner. (AEC)

  11. Iron crystals in lunar breccias

    NASA Technical Reports Server (NTRS)

    Clanton, U. S.; Mckay, D. S.; Laughon, R. B.; Ladle, G. H.

    1973-01-01

    Many of the vugs in the highly recrystallized breccias from Apollos 14, 15, and 16 contain euhedral iron crystals. Three populations have been recognized based on crystal habit. In the first group the trapezohedron predominates and the cube faces are smaller. The second group is characterized by the cube as the dominant form; trapezohedron and tetrahexahedron faces are smaller and about equally developed. The dominant habit of the third group is the octahedron with smaller but equally developed cube and dodecahedron faces. Iron has been mobilized and redistributed in a vapor phase. The euhedral crystals, the abundant growth steps, and the open network of substrate crystals clearly support the concept of growth from a vapor-phase.

  12. Growth Defects in Biomacromolecular Crystals

    NASA Technical Reports Server (NTRS)

    2003-01-01

    NASA's ground based program confirmed close similarity between protein and small molecules crystal growth, but also revealed essential differences. No understanding exists as to why and when crystals grown in space are, in approx. 20 percent of cases, of higher quality. More rationale is needed in flight experiments. Ferritin crystals grown in space are 2.5 times cleaner than their terrestrial counterparts. This may occur because of the existence of a zone depleted with respect to impurities around a crystal growing in stagnant solution. This zone should appear since the distribution coefficient for homologous impurities exceeds unity. This impurity depletion zone hypothesis requires verification and development. Thorough purification from homologous impurities brought about resolution improvement from 2.6 to 1.8 angstroms for ferritin and from 2.6 to 2.0 angstroms for canavalin.

  13. Absence of Quantum Time Crystals.

    PubMed

    Watanabe, Haruki; Oshikawa, Masaki

    2015-06-26

    In analogy with crystalline solids around us, Wilczek recently proposed the idea of "time crystals" as phases that spontaneously break the continuous time translation into a discrete subgroup. The proposal stimulated further studies and vigorous debates whether it can be realized in a physical system. However, a precise definition of the time crystal is needed to resolve the issue. Here we first present a definition of time crystals based on the time-dependent correlation functions of the order parameter. We then prove a no-go theorem that rules out the possibility of time crystals defined as such, in the ground state or in the canonical ensemble of a general Hamiltonian, which consists of not-too-long-range interactions.

  14. Absence of Quantum Time Crystals

    NASA Astrophysics Data System (ADS)

    Watanabe, Haruki; Oshikawa, Masaki

    2015-06-01

    In analogy with crystalline solids around us, Wilczek recently proposed the idea of "time crystals" as phases that spontaneously break the continuous time translation into a discrete subgroup. The proposal stimulated further studies and vigorous debates whether it can be realized in a physical system. However, a precise definition of the time crystal is needed to resolve the issue. Here we first present a definition of time crystals based on the time-dependent correlation functions of the order parameter. We then prove a no-go theorem that rules out the possibility of time crystals defined as such, in the ground state or in the canonical ensemble of a general Hamiltonian, which consists of not-too-long-range interactions.

  15. Crystal face temperature determination means

    DOEpatents

    Nason, Donald O.; Burger, Arnold

    1994-01-01

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

  16. Radiating dipoles in photonic crystals

    PubMed

    Busch; Vats; John; Sanders

    2000-09-01

    The radiation dynamics of a dipole antenna embedded in a photonic crystal are modeled by an initially excited harmonic oscillator coupled to a non-Markovian bath of harmonic oscillators representing the colored electromagnetic vacuum within the crystal. Realistic coupling constants based on the natural modes of the photonic crystal, i.e., Bloch waves and their associated dispersion relation, are derived. For simple model systems, well-known results such as decay times and emission spectra are reproduced. This approach enables direct incorporation of realistic band structure computations into studies of radiative emission from atoms and molecules within photonic crystals. We therefore provide a predictive and interpretative tool for experiments in both the microwave and optical regimes.

  17. On atom–atom ‘short contact’ bonding interactions in crystals1

    PubMed Central

    Lecomte, Claude; Espinosa, Enrique; Matta, Cherif F.

    2015-01-01

    Professor Dunitz questions the usefulness of ascribing crystalline structural stability to individual atom–atom intermolecular interactions viewed as bonding (hence stabilizing) whenever linked by a bond path. An alternative view is expressed in the present essay that articulates the validity and usefulness of the bond path concept in a crystallographic and crystal engineering context. PMID:25866651

  18. Measuring phonons in protein crystals

    NASA Astrophysics Data System (ADS)

    Niessen, Katherine A.; Snell, Edward; Markelz, A. G.

    2013-03-01

    Using Terahertz near field microscopy we find orientation dependent narrow band absorption features for lysozyme crystals. Here we discuss identification of protein collective modes associated with the observed features. Using normal mode calculations we find good agreement with several of the measured features, suggesting that the modes arise from internal molecular motions and not crystal phonons. Such internal modes have been associated with protein function.

  19. Crystal growing from the melt

    NASA Technical Reports Server (NTRS)

    Davis, S. H.

    1987-01-01

    The mechanical and electrical properties of crystals produced by a unidirectional process depend strongly on the temperature and flow fields since these control the concentration of solute at the melt-crystal interface. The solute gradient there drives morphological instabilities that lead to cellular or dendritic interfaces. In the presentation several features of flow-solidification interactions will be discussed. These will include the effects of convection driven by density changes and buoyancy and the imposition of forced flow.

  20. Protein Crystallization Apparatus for Microgravity

    NASA Technical Reports Server (NTRS)

    2001-01-01

    The Protein Crystallization for Microgravity (DCAM) was developed at NASA's Marshall Space Flight Center. A droplet of solution with protein molecules dissolved in it is isolated in the center of a small well. In orbit, an elastomer seal is lifted so the solution can evaporate and be absorbed by a wick material. This raises the concentration of the solution, thus prompting protein molecules in the solution to form crystals. The principal investigator is Dr. Dan Carter of New Century Pharmaceuticals in Huntsville, AL.

  1. Protein crystallization apparatus for microgravity

    NASA Technical Reports Server (NTRS)

    2001-01-01

    The Protein Crystallization for Microgravity (DCAM) was developed at NASA's Marshall Space Flight Center. A droplet of solution with protein molecules dissolved in it is isolated in the center of a small well. In orbit, an elastomer seal is lifted so the solution can evaporate and be absorbed by a wick material. This raises the concentration of the solution, thus prompting protein molecules in the solution to form crystals. The principal investigator is Dr. Dan Carter of New Century Pharmaceuticals in Huntsville, AL.

  2. Protein Crystal Recombinant Human Insulin

    NASA Technical Reports Server (NTRS)

    1994-01-01

    The comparison of protein crystal, Recombiant Human Insulin; space-grown (left) and earth-grown (right). On STS-60, Spacehab II indicated that space-grown crystals are larger and of greater optical clarity than their earth-grown counterparts. Recombiant Human Insulin facilitates the incorporation of glucose into cells. In diabetics, there is either a decrease in or complete lack of insulin, thereby leading to several harmful complications. Principal Investigator is Larry DeLucas.

  3. Scientist prepare Lysozyme Protein Crystal

    NASA Technical Reports Server (NTRS)

    1996-01-01

    Dan Carter and Charles Sisk center a Lysozyme Protein crystal grown aboard the USML-2 shuttle mission. Protein isolated from hen egg-white and functions as a bacteriostatic enzyme by degrading bacterial cell walls. First enzyme ever characterized by protein crystallography. It is used as an excellent model system for better understanding parameters involved in microgravity crystal growth experiments. The goal is to compare kinetic data from microgravity experiments with data from laboratory experiments to study the equilibrium.

  4. Liquid Crystals for Nondestructive Evaluation

    DTIC Science & Technology

    1978-09-01

    Temperatures TI > T2 > - > TS defects was possible using the liquid crystal. are the Average TemperatursI Thes Resptivegi. Kapfer , Burns, Salvo, and Doyle...Means of Liquid Crystals,’ J. 38 .1; .1 of Sound and Vibration, Vol. 36, No. 3, pp. 407- 65. V.C. Kapfer , D.J. Bums, C.J. Salvo, and E.A. 15, Oct. 1974

  5. Creep of Oxide Single Crystals

    DTIC Science & Technology

    1990-08-01

    literature data on Gd 3Ga5O1 2 (8) indicate that garnets may be highly deformation resistant at temperatures very close to their melting points...Data for Yttrium Aluminum Garnet Single Crystals Temperature Stress Creep Rate (sec 1 ) for Given Stress Direction (0C) (MPa) [111] [110] [100] 1650...Gadolinium Gallium Garnet Single Crystals," J.Mat.Sci., 17, 878-884 (1982). 9. B.M. Wanklyn, Clarendon Laboratory, personal communicaticn. 10. S.B. Austerman

  6. Crystal Structure of UGe 2

    NASA Astrophysics Data System (ADS)

    Oikawa, Kennichi; Kamiyama, Takashi; Asano, Hajime; Ōnuki, Yoshichika; Kohgi, Masahumi

    1996-10-01

    The crystal structure of UGe2 has been determined by the X-ray precession method and Rietveld analysis of neutron powder diffraction data. The crystal system is orthorhombic (space group Cmmm) with lattice parameters a=0.40089(1), b=1.50889(3) and c=0.40950(1) nm. The structure is isomorphic with one of the polymorphs of ThGe2.

  7. Semiconductor crystal high resolution imager

    NASA Technical Reports Server (NTRS)

    Levin, Craig S. (Inventor); Matteson, James (Inventor)

    2011-01-01

    A radiation imaging device (10). The radiation image device (10) comprises a subject radiation station (12) producing photon emissions (14), and at least one semiconductor crystal detector (16) arranged in an edge-on orientation with respect to the emitted photons (14) to directly receive the emitted photons (14) and produce a signal. The semiconductor crystal detector (16) comprises at least one anode and at least one cathode that produces the signal in response to the emitted photons (14).

  8. Validation of the Metacomprehension Scale

    PubMed

    Moore; Zabrucky; Commander

    1997-10-01

    Evidence for the factorial, convergent and discriminant, and criterion-related validity of the Metacomprehension Scale (MCS) was examined in a sample of 237 young adults. The instrument was factorially heterogeneous but exhibited homogeneity within each of the seven subscales. Evidence for the convergent and discriminant validity of the MCS was examined by correlating the subscales from the MCS with subscales from metacognitive questionnaires measuring similar constructs from related domains. In general, correlations within constructs were larger than correlations between constructs, providing preliminary evidence of the convergent and discriminant validity of the MCS. The criterion-related validity of the MCS relative to other metacognitive measures was examined by using the metacognitive measures and the MCS to predict comprehension performance. The MCS predicted performance better than the other measures of metacognition and accounted for variance in performance not accounted for by the other measures. These results show promise for the value of self-assessments of metacomprehension. Copyright 1997Academic Press

  9. Validation studies and proficiency testing.

    PubMed

    Ankilam, Elke; Heinze, Petra; Kay, Simon; Van den Eede, Guy; Popping, Bert

    2002-01-01

    Genetically modified organisms (GMOs) entered the European food market in 1996. Current legislation demands the labeling of food products if they contain <1% GMO, as assessed for each ingredient of the product. To create confidence in the testing methods and to complement enforcement requirements, there is an urgent need for internationally validated methods, which could serve as reference methods. To date, several methods have been submitted to validation trials at an international level; approaches now exist that can be used in different circumstances and for different food matrixes. Moreover, the requirement for the formal validation of methods is clearly accepted; several national and international bodies are active in organizing studies. Further validation studies, especially on the quantitative polymerase chain reaction methods, need to be performed to cover the rising demand for new extraction methods and other background matrixes, as well as for novel GMO constructs.

  10. QDB: Validated Plasma Chemistries Database

    NASA Astrophysics Data System (ADS)

    Rahimi, Sara; Hamilton, James; Hill, Christian; Tennyson, Jonathan; UCL Team

    2016-09-01

    One of most challenging recurring problems when modelling plasmas is the lack of data. This lack of complete and validated datasets hinders research on plasma processes and curbs development of industrial Applications. We will describe the QDB project which aims to fill this missing link by provide a platform for exchange and validation of chemistry datasets. The database will collate published data on both electron scattering and heavy particle reactions and also facilitates and encourages peer-to-peer data sharing by its users. This data platform is rigorously supported by the validation methodical validation of the datasetsan automated chemistry generator employed; this methodology identifies missing reactions in chemistries which although important are currently unreported in the literature and employs mathematical methods to analyze the importance of these chemistries. Gaps in the datasets are filled using in house theoretical methods.

  11. ICP-MS Data Validation

    EPA Pesticide Factsheets

    Document designed to offer data reviewers guidance in determining the validity ofanalytical data generated through the USEPA Contract Laboratory Program Statement ofWork (SOW) ISM01.X Inorganic Superfund Methods (Multi-Media, Multi-Concentration)

  12. ICP-AES Data Validation

    EPA Pesticide Factsheets

    Document designed to offer data reviewers guidance in determining the validity ofanalytical data generated through the USEPA Contract Laboratory Program (CLP) Statement ofWork (SOW) ISM01.X Inorganic Superfund Methods (Multi-Media, Multi-Concentration)

  13. PSI-Center Validation Studies

    NASA Astrophysics Data System (ADS)

    Nelson, B. A.; Akcay, C.; Glasser, A. H.; Hansen, C. J.; Jarboe, T. R.; Marklin, G. J.; Milroy, R. D.; Morgan, K. D.; Norgaard, P. C.; Shumlak, U.; Sutherland, D. A.; Victor, B. S.; Sovinec, C. R.; O'Bryan, J. B.; Held, E. D.; Ji, J.-Y.; Lukin, V. S.

    2014-10-01

    The Plasma Science and Innovation Center (PSI-Center - http://www.psicenter.org) supports collaborating validation platform experiments with 3D extended MHD simulations using the NIMROD, HiFi, and PSI-TET codes. Collaborators include the Bellan Plasma Group (Caltech), CTH (Auburn U), HBT-EP (Columbia), HIT-SI (U Wash-UW), LTX (PPPL), MAST (Culham), Pegasus (U Wisc-Madison), SSX (Swarthmore College), TCSU (UW), and ZaP/ZaP-HD (UW). The PSI-Center is exploring application of validation metrics between experimental data and simulations results. Biorthogonal decomposition (BOD) is used to compare experiments with simulations. BOD separates data sets into spatial and temporal structures, giving greater weight to dominant structures. Several BOD metrics are being formulated with the goal of quantitive validation. Results from these simulation and validation studies, as well as an overview of the PSI-Center status will be presented.

  14. Mercury and Cyanide Data Validation

    EPA Pesticide Factsheets

    Document designed to offer data reviewers guidance in determining the validity ofanalytical data generated through the USEPA Contract Laboratory Program (CLP) Statement ofWork (SOW) ISM01.X Inorganic Superfund Methods (Multi-Media, Multi-Concentration)

  15. A crystal-clear zebrafish for in vivo imaging

    PubMed Central

    Antinucci, Paride; Hindges, Robert

    2016-01-01

    The larval zebrafish (Danio rerio) is an excellent vertebrate model for in vivo imaging of biological phenomena at subcellular, cellular and systems levels. However, the optical accessibility of highly pigmented tissues, like the eyes, is limited even in this animal model. Typical strategies to improve the transparency of zebrafish larvae require the use of either highly toxic chemical compounds (e.g. 1-phenyl-2-thiourea, PTU) or pigmentation mutant strains (e.g. casper mutant). To date none of these strategies produce normally behaving larvae that are transparent in both the body and the eyes. Here we present crystal, an optically clear zebrafish mutant obtained by combining different viable mutations affecting skin pigmentation. Compared to the previously described combinatorial mutant casper, the crystal mutant lacks pigmentation also in the retinal pigment epithelium, therefore enabling optical access to the eyes. Unlike PTU-treated animals, crystal larvae are able to perform visually guided behaviours, such as the optomotor response, as efficiently as wild type larvae. To validate the in vivo application of crystal larvae, we performed whole-brain light-sheet imaging and two-photon calcium imaging of neural activity in the retina. In conclusion, this novel combinatorial pigmentation mutant represents an ideal vertebrate tool for completely unobstructed structural and functional in vivo investigations of biological processes, particularly when imaging tissues inside or between the eyes. PMID:27381182

  16. Models of protein–ligand crystal structures: trust, but verify

    PubMed Central

    Deller, Marc C.

    2015-01-01

    X-ray crystallography provides the most accurate models of protein–ligand structures. These models serve as the foundation of many computational methods including structure prediction, molecular modelling, and structure-based drug design. The success of these computational methods ultimately depends on the quality of the underlying protein–ligand models. X-ray crystallography offers the unparalleled advantage of a clear mathematical formalism relating the experimental data to the protein–ligand model. In the case of X-ray crystallography, the primary experimental evidence is the electron density of the molecules forming the crystal. The first step in the generation of an accurate and precise crystallographic model is the interpretation of the electron density of the crystal, typically carried out by construction of an atomic model. The atomic model must then be validated for fit to the experimental electron density and also for agreement with prior expectations of stereochemistry. Stringent validation of protein–ligand models has become possible as a result of the mandatory deposition of primary diffraction data, and many computational tools are now available to aid in the validation process. Validation of protein–ligand complexes has revealed some instances of overenthusiastic interpretation of ligand density. Fundamental concepts and metrics of protein–ligand quality validation are discussed and we highlight software tools to assist in this process. It is essential that end users select high quality protein–ligand models for their computational and biological studies, and we provide an overview of how this can be achieved. PMID:25665575

  17. Empirical agreement in model validation.

    PubMed

    Jebeile, Julie; Barberousse, Anouk

    2016-04-01

    Empirical agreement is often used as an important criterion when assessing the validity of scientific models. However, it is by no means a sufficient criterion as a model can be so adjusted as to fit available data even though it is based on hypotheses whose plausibility is known to be questionable. Our aim in this paper is to investigate into the uses of empirical agreement within the process of model validation.

  18. Hydrothermal Growth of Polyscale Crystals

    NASA Astrophysics Data System (ADS)

    Byrappa, Kullaiah

    In this chapter, the importance of the hydrothermal technique for growth of polyscale crystals is discussed with reference to its efficiency in synthesizing high-quality crystals of various sizes for modern technological applications. The historical development of the hydrothermal technique is briefly discussed, to show its evolution over time. Also some of the important types of apparatus used in routine hydrothermal research, including the continuous production of nanosize crystals, are discussed. The latest trends in the hydrothermal growth of crystals, such as thermodynamic modeling and understanding of the solution chemistry, are elucidated with appropriate examples. The growth of some selected bulk, fine, and nanosized crystals of current technological significance, such as quartz, aluminum and gallium berlinites, calcite, gemstones, rare-earth vanadates, electroceramic titanates, and carbon polymorphs, is discussed in detail. Future trends in the hydrothermal technique, required to meet the challenges of fast-growing demand for materials in various technological fields, are described. At the end of this chapter, an Appendix 18.A containing a more or less complete list of the characteristic families of crystals synthesized by the hydrothermal technique is given with the solvent and pressure-temperature (PT) conditions used in their synthesis.

  19. Liquid Crystals for Organic Photovoltaics

    NASA Astrophysics Data System (ADS)

    O'Neill, Mary; Kelly, Stephen M.

    As discussed in Chaps. 2 (10.1007/978-90-481-2873-0_2), 3 (10.1007/978-90-481-2873-3), 5 (10.1007/978-90-481-2873-5) and 6 (10.1007/978-90-481-2873-6), columnar, smectic and, more recently, nematic liquid crystals are widely recognized as very promising charge-transporting organic semiconductors due to their ability to spontaneously self-assemble into highly ordered domains in uniform thin films over large areas. This and their broad absorption spectra make them suitable as active materials for organic photovoltaic devices. In this chapter, we discuss the use of liquid crystals in such devices. Firstly, we examine the principle of power generation via the photovoltaic effect in organic materials and the various device configurations that can optimise efficiency. Then we discuss photovoltaic devices incorporating columnar liquid crystals combined with electron accepting materials based on either perylene or fullerene. The use of nematic and sanditic liquid crystals in photovoltaics is investigated as well as a novel solar cell concentrator incorporating liquid crystals. Finally, we analyse the benefits and limitations of liquid-crystal-based photovoltaics in the context of the state-of-the-art for organics photovoltaics.

  20. Protein crystal nucleation in pores

    PubMed Central

    Nanev, Christo N.; Saridakis, Emmanuel; Chayen, Naomi E.

    2017-01-01

    The most powerful method for protein structure determination is X-ray crystallography which relies on the availability of high quality crystals. Obtaining protein crystals is a major bottleneck, and inducing their nucleation is of crucial importance in this field. An effective method to form crystals is to introduce nucleation-inducing heterologous materials into the crystallization solution. Porous materials are exceptionally effective at inducing nucleation. It is shown here that a combined diffusion-adsorption effect can increase protein concentration inside pores, which enables crystal nucleation even under conditions where heterogeneous nucleation on flat surfaces is absent. Provided the pore is sufficiently narrow, protein molecules approach its walls and adsorb more frequently than they can escape. The decrease in the nucleation energy barrier is calculated, exhibiting its quantitative dependence on the confinement space and the energy of interaction with the pore walls. These results provide a detailed explanation of the effectiveness of porous materials for nucleation of protein crystals, and will be useful for optimal design of such materials. PMID:28091515