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Sample records for bgo crystals validation

  1. Measuring Light Reflectance of BGO Crystal Surfaces

    SciTech Connect

    Janecek, Martin; Moses, William

    2008-07-28

    A scintillating crystal's surface reflectance has to be well understood in order to accurately predict and optimize the crystal?s light collection through Monte Carlo simulations. In this paper, we measure the inner surface reflectance properties for BGO. The measurements include BGO crystals with a mechanically polished surface, rough-cut surface, and chemically etched surface, and with various reflectors attached, both air- coupled and with coupling compound. The measurements are performed with a laser aimed at the center of a hemispherical shaped BGO crystal. The hemispherical shape eliminates any non-perpendicular angles for light entering and exiting the crystal. The reflected light is collected with an array of photodiodes. The laser can be set at an arbitrary angle, and the photodiode array is rotated to fully cover 2? of solid angle. The current produced in the photodiodes is readout with a digital multimeter connected through a multiplexer. The two rows of photodiodes achieve 5-degree by 4-degree resolution, and the current measurement has a dynamic range of 10^5:1. The acquired data was not described by the commonly assumed linear combination of specular and diffuse (Lambertian) distributions, except for a very few surfaces. Surface roughness proved to be the most important parameter when choosing crystal setup. The reflector choice was of less importance and of almost no consequence for rough-cut surfaces. Pure specular reflection distribution for all incidence angles was measured for polished surfaces with VM2000 film, while the most Lambertian distribution for any surface finish was measured for titanium dioxide paint. The distributions acquired in this paper will be used to create more accurate Monte Carlo models for light reflection distribution within BGO crystals.

  2. Photomultiplier Tubes for BaF/sub 2//BGO crystal scintillators

    SciTech Connect

    Kume, H.; Watanabe, T.; Iida, M.; Matsushita, T.; Suzuki, S.

    1986-02-01

    BGO/BaF/sub 2/ crystals have been widely employed as scintillation detectors for radioactive sources and charged particles. Photomultiplier Tubes (PMT) are conventionally used on the detector with these scintillators. For these applications, the PMT with rectangular and dual photocathode (to be coupled with BGO crystal) was developed in order to reduce the dead space among PMTs in assembling them together as a ring camera. Furthermore, a PMT of 3/8'' in diameter with a fused silica window was developed for BaF/sub 2/ scintillator, so that it has the high spatial resolution as well as an excellent time resolving capability. This PMT exhibits the coincidence resolving time of 390 psec with positron emitter of Na-22 and BaF/sub 2/ crystals. In this paper, the authors report the basic design, construction and characteristics of these latest developed PMTs.

  3. THz-infra-UV transmission spectra of BGO:Ca/Pb crystals

    NASA Astrophysics Data System (ADS)

    Hou, Bihui; Li, Na; Hao, Wei; Wang, Ya-li; Yang, Bingxin; Zhong, Renbin

    2010-11-01

    The THz-Infra-UV transmission spectra of Bi4Ge3O12 (BGO) and BGO:Ca, BGO:Pb crystals have been measured at the room temperature. The forbidden gap Eg of electronic energy bands are about 3.66eV (339nm). The quantities of adulteration Ca2+ and Pb2+ were very little (0.02 wt %), it did not influence Eg and the breadth of phonon absorption. The high frequency edge of the phonon absorption of the crystals was at 1700cm-1 (or 51THz). The low frequency edge of the phonon absorption was at 66 cm-1 (or 1.98THz). Below 2.00THz the transmission T(1/λ) largened, maybe a nice transmission would be below 2.00THz in the three samples. The influence to the transmission from impurity Ca2+ ion was smaller than 10%, and from impurity Pb2+ion was smaller than 5%. Below 2.00THz the transmission T(1/λ) largened in the three samples.

  4. A positron tomograph with 600 BGO crystals and 2. 6 mm resolution

    SciTech Connect

    Derenzo, S.E.; Huesman, R.H.; Cahoon, J.L.; Geyer, A.B.; Moses, W.W.; Uber, D.C.; Vuletich, T.; Budinger, T.F.

    1988-02-01

    The authors describe the imaging performance of the Donner 600-Crystal Positron Tomograph, a single 60 cm diam ring of 3 mm wide bismuth germanate (BGO) crystals coupled individually to 14 mm phototubes. With a pulse height threshold of 200 keV and a slice thickness of 5 mm, the sensitivity is 7024 events/sec per ..mu..Ci/ml in a 20 cm cylinder of water. The measured rates for 18 ..mu..Ci/ml are 95,000 trues/sec plus 20,000 random/sec. A 0.3 mm diam /sup 22/Na line source near the center of the tomograph has a circular point spread function (PSF) with a full-width at half-maximum (fwhm) of 2.6 mm. At 5 cm from the center the PSF is elliptical with a fwhm of 2.7 mm tangential x 3.2 mm radial. At 10 cm the PSF has a fwhm of 2.8 mm tangential x 4.8 mm radial. Attenuation data are accumulated with a 20 mCi /sup 68/Ge orbiting transmission source and 100 million coincident events are collected in 200 sec.

  5. A positron tomograph with 600 BGO (bismuth germanate) crystals and 2. 6 mm resolution

    SciTech Connect

    Derenzo, S.E.; Huesman, R.H.; Cahoon, J.L.; Geyer, A.B.; Moses, W.W.; Uber, D.C.; Vuletich, T.; Budinger, T.F.

    1987-10-01

    We describe the imaging performance of the Donner 600-Crystal Positron Tomograph, a single 600 cm diam ring of 3 mm wide bismuth germanate (BGO) crystals coupled individually to 14 mm phototubes. With a pulse height threshold of 200 keV and a slice thickness of 5 mm, the sensitivity is 7024 eventssec per ..mu..Ciml in a 20 cm cyliner of water. The measured rates for 18 ..mu..Ciml are 95,000 truessec plus 20,000 randomsec. A 0.3 mm diam /sup 22/Na line source near the center of the tomograph has a circular point spread function (PSF) with a full-width at half-maximum (fwhm) of 2.6 mm. At 5 cm from the center the PSF is elliptical with a fwhm of 2.7 mm tangential )times) 3.2 mm radial. At 10 cm the PSF has a fwhm of 2.8 mm tangential )times) 4.8 mm radial. Attenuation data are accumulated with a 20 mCi /sup 68/Ge orbiting transmission source and 100 million coincident events are collected in 200 sec. 20 refs., 9 figs., 5 tabs

  6. 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.

  7. Performance of BGO in a high radiation environment

    SciTech Connect

    Bobbink, G.J.; Engler, A.; Kraemer, R.W.; Nash, J.; Sutton, R.B.; Gearhart, R.A.; Linde, F.L.; Sens, J.C.

    1984-05-01

    Bismuth Germanate (Bi/sub 4/Ge/sub 3/O/sub 12/), an inert, high Z, and non-hygroscopic material, with a short radiation length L/sub RAD/ = 1.1 cm, has been proposed as the scintillator in a 4..pi.. electromagnetic calorimeter at LEP. Recently long BGO crystals have become available and studies of the effect of radiation have been made by several groups. We report here on the decrease of the light output of long BGO crystals due to irradiation by /sup 60/Co ..gamma..-rays and 25 MeV electrons with doses from 50 to 5000 rad and on the performance of a 4 x 4 matrix of BGO crystals located at small angles (5 to 9 mrad, a high radiation environment) at the e/sup +/e/sup -/ storage ring PEP at SLAC. All crystals used are 2 x 2 x 23 or 2 x 2 x 24 cm/sup 3/, have all six faces polished, and are wrapped in white teflon tape. 9 references, 11 figures.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. The ATIC Experiment: Performance of the Scintillator Hodoscopes and the BGO Calorimeter

    NASA Technical Reports Server (NTRS)

    Isbert, Joachim; Adams, J. H.; Ahn, H.; Ampe, J.; Bashindzhagyan, G.; Whitaker, Ann F. (Technical Monitor)

    2001-01-01

    The Advanced Thin Ionization Calorimeter (ATIC) Balloon Experiment had its first flight from Mcmurdo, Antarctica 28/12/2000 to 13/01/2001, local time, recording over 360 hours of data. The design goal of ATIC was to measure the Cosmic Ray composition and energy spectra from approximately 50 GeV to near 100 TeV utilizing a Si-matrix detector, a scintillator hodoscope, carbon targets and a calorimeter consisting of a stack of BGO scintillator crystals. The design, the operations and in-flight performance of the scintillator hodoscope and the BGO calorimeter are described.

  13. The ATIC Experiment : Performance of the Scintillator Hodoscope and the BGO Calorimeter

    NASA Technical Reports Server (NTRS)

    Isbert, J.; Whitaker, Ann F. (Technical Monitor)

    2001-01-01

    The Advanced Thin Ionization Calorimeter (ATIC) Balloon Experiment had its first flight from McMurdo, Antarctica, 28/12/00 to 13/01/01, recording over 360 hours of data. The design goal for ATIC was to measure the Cosmic Ray composition and energy spectra from approximately 50 GeV to near 100 TeV utilizing a Si-matrix detector, a scintillator hodoscope, carbon targets and a calorimeter consisting of a stack of BGO scintillator crystals. The design, operation, and in-flight performance of the scintillator hodoscope and the BGO calorimeter are described.

  14. Strangeness Photoproduction at the BGO-OD Experiment

    NASA Astrophysics Data System (ADS)

    Jude, T. C.; Alef, S.; Bayadilov, D.; Beck, R.; Becker, M.; Bella, A.; Bielefeldt, P.; Boese, S.; Braghieri, A.; Brinkmann, K.; Cole, P.; Curciarello, F.; De Leo, V.; Di Salvo, R.; Dutz, H.; Elsner, D.; Fantini, A.; Freyermuth, O.; Friedrich, S.; Frommberger, F.; Ganenko, V.; Gervino, G.; Ghio, F.; Giardina, G.; Goertz, S.; Gridnev, A.; Gutz, E.; Hammann, D.; Hannappel, J.; Hartmann, P.; Hillert, W.; Ignatov, A.; Jahn, R.; Joosten, R.; Klein, F.; 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.; Scheluchin, G.; Schmieden, H.; Stugelev, A.; Sumachev, V.; Tarakanov, V.; Vegna, V.; Walther, D.; Watts, D.; Zaunick, H.; Zimmermann, T.

    BGO-OD is a newly commissioned experiment to investigate the internal structure of the nucleon, using an energy tagged bremsstrahlung photon beam at the ELSA electron facility. The setup consists of a highly segmented BGO calorimeter surrounding the target, with a particle tracking magnetic spectrometer at forward angles. BGO-OD is ideal for investigating meson photoproduction. The extensive physics programme for open strangeness photoproduction is introduced, and preliminary analysis presented.

  15. A Study on Thermal Design of the BGO Electromagnetic Calorimeter

    NASA Astrophysics Data System (ADS)

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

    The BGO Electromagnetic Calorimeter (BGO ECAL) is one of the most important payload of the Chinese DArk Matter Particle Explorer (DAMPE), which can precisely measure the incident energy of cosmic ray. However, thermal control of the BGO ECAL plays a key role on its running in the space. In this paper, the thermal design of the BGO ECAL and the thermal FEM modal created by hyper-mesh & NASTRAN FEM software will be introduced. Then the temperature distribution of the BGO calorimeter with the given on orbit conditions is performed. In the end, we depicts the thermal test which has been carried out in February. By the comparisons between the experiment results and the analyses results, the methodology in this paper was proved to be effective.

  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. Initial characterization of a position-sensitive photodiode/BGO detector for PET (positron emission tomography)

    SciTech Connect

    Derenzo, S.E.; Moses, W.W.; Jackson, H.G.; Turko, B.T.; Cahoon, J.L.; Geyer, A.B.; Vuletich, T.

    1988-11-01

    We present initial results of a position-sensitive photodiode/BGO detector for high resolution, multi-layer positron emission tomography (PET). Position sensitivity is achieved by dividing the 3 mm /times/ 20 mm rectangular photosensitive area along the diagonal to form two triangular segments. Each segment was individually connected to a low-noise amplifier. The photodiodes and crystals were cooled to /minus/100/degree/C to reduce dark current and increase the BGO signal. With an amplifier peaking time of 17 ..mu..sec, the sum of the signals (511 keV photopeak) was 3200 electrons with a full width at half maximum (fwhm) of 750 electrons. The ratio of one signal to the sum determined the depth of interaction with a resolution of 11 mm fwhm. 27 refs., 7 figs.

  18. Polarised Photon Beams for the BGO-OD Experiment at ELSA

    NASA Astrophysics Data System (ADS)

    Zimmermann, T.; Bella, A.; Alef, S.; Bayadilov, D.; Beck, R.; Becker, M.; Bielefeldt, P.; Boese, S.; Braghieri, A.; Brinkmann, K.; Cole, P.; Curciarello, F.; De Leo, V.; Di Salvo, R.; Dutz, H.; Elsner, D.; Fantini, A.; Freyermuth, O.; Friedrich, S.; Frommberger, F.; Ganenko, V.; Gervino, G.; Ghio, F.; Giardina, G.; Goertz, S.; Gridnev, A.; Gutz, E.; Hammann, D.; Hannappel, J.; Hartmann, P.; Hillert, W.; Ignatov, A.; Jahn, R.; Joosten, R.; Jude, T. C.; Klein, F.; 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.

    The new BGO-OD experiment at the electron accelerator ELSA, of the University of Bonn, is designed to study the reaction dynamics of nucleon excitations in meson photoproduction. It consists of a central BGO calorimeter with a magnetic spectrometer in forward direction. The physics programme includes the measurement of polarisation observables using linearly and circularly polarised photon beams. Linear polarisation is obtained by coherent bremsstrahlung off a diamond crystal, and circular polarisation is obtained via bremsstrahlung from longitudinally polarised electrons. The degree of linear polarisation is determined from the bremsstrahlung spectrum itself. To determine the polarisation of the circularly polarised photon beam, the polarisation of the electron beam is measured by a Møller polarimeter. As a preliminary consistency check, the (linear) polarisation observable, Σ, was compared to world data for π0 and η photoproduction. To determine the degree of circular polarisation, a Møller polarimeter was setup and first measurements of the electron beam polarisation performed.

  19. 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).

  20. Performance of the BGO endcap calorimeter with phototriode readout for the CMD-2 detector

    SciTech Connect

    Grigoriev, D.N.; Akhmetshin, R.R.; Beschastnov, P.M.; Fedorenko, V.E.; Pyata, E.E.; Smakhtin, V.P.; Yudin, Yu.V.; Shlegel, V.N.; Vasiliev, Ya.V.

    1995-08-01

    The endcap calorimeter of the CMD-2 detector for the VEPP-2M collider is described. The calorimeter contains 680 BGO crystals read out by vacuum phototriodes. Charge sensitive preamplifiers are placed directly on the phototriodes for the best noise performance. The calorimeter was installed during the last year. Calibration by cosmic rays showed the energy equivalent of the electronic noise to be about 0.9 MeV during operation in a 1 T magnetic field which corresponds to the design value.

  1. Two Kinds of Deep Hole-Traps in Bi4Ge3O12 Crystal

    NASA Astrophysics Data System (ADS)

    Feng, Xiqi; Cheng, Chaoyang; Yin, Zhiwen; M, R. Khamlary; P, D. Townsend

    1992-11-01

    This paper presents the thermoluminescence (TL) and the absorption spectra of a series of doped Bi4Ge3O12 (BGO) crystal irradiated by ultraviolet light. By the representation of Fe: BGO and Mn: BGO, the formation mechanism of two kinds of deep TL traps was discussed, and also their association with the stability of color center.

  2. 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.

  3. 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. PMID:27108070

  4. 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.

  5. 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.

  6. (Test, calibrate, and prepare a BGO photon detector system)

    SciTech Connect

    Awes, T.C.

    1990-10-19

    The traveler spent the year at CERN primarily to test, calibrate, and prepare a BGO photon detector system for use in the August 1990 run of WA80 with sulfur beams and for use in future planned runs with an expanded BGO detector. The BGO was used in test-beam runs in December 1989 and April--May 1990 and in the August data-taking run. The Midrapidity Calorimeters (MIRAC) were also prepared in a new geometry for the August run with a new transverse energy trigger. The traveler also continued to refine and carry out simulations of photon detector systems in present and future planned photon detection experiments. The traveler participated in several WA80 collaboration meetings, which were held at CERN throughout the period of stay. Invited talks were presented at the Workshop on High Resolution Electromagnetic Calorimetry in Stockholm, Sweden, November 9--11, 1989, and at the International Workshop on Software Engineering, Artificial Intelligence, and Expert Systems for High-Energy and Nuclear Physics at Lyon, France, March 19--24, 1990. The traveler participated in an experiment to measure particle--particle correlations at 30-MeV/nucleon incident energies at the SARA facility in Grenoble from November 11--24, 1989.

  7. 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.

  8. 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

  9. Response of a BGO detector to photon and neutron sources: simulations and measurements

    NASA Astrophysics Data System (ADS)

    Vincke, H.; Gschwendtner, E.; Fabjan, C. W.; Otto, T.

    2002-05-01

    In this paper Monte Carlo simulations (FLUKA) and measurements of the response of a BGO detector are reported. For the measurements three low-energy photon emitters ( 60Co, 54Mn, 137Cs) were used to irradiate the BGO from various distances and angles. The neutron response was measured with an Am-Be neutron source. Simulations of the experimental irradiations were carried out. Our study can also be considered as a benchmark for FLUKA in terms of its reliability to predict the detector response of a BGO scintillator.

  10. Monitoring and validating active site redox states in protein crystals.

    PubMed

    Antonyuk, Svetlana V; Hough, Michael A

    2011-06-01

    High resolution protein crystallography using synchrotron radiation is one of the most powerful tools in modern biology. Improvements in resolution have arisen from the use of X-ray beamlines with higher brightness and flux and the development of advanced detectors. However, it is increasingly recognised that the benefits brought by these advances have an associated cost, namely deleterious effects of X-ray radiation on the sample (radiation damage). In particular, X-ray induced reduction and damage to redox centres has been shown to occur much more rapidly than other radiation damage effects, such as loss of resolution or damage to disulphide bridges. Selection of an appropriate combination of in-situ single crystal spectroscopies during crystallographic experiments, such as UV-visible absorption and X-ray absorption spectroscopy (XAFS), allows for effective monitoring of redox states in protein crystals in parallel with structure determination. Such approaches are also essential in cases where catalytic intermediate species are generated by exposure to the X-ray beam. In this article, we provide a number of examples in which multiple single crystal spectroscopies have been key to understanding the redox status of Fe and Cu centres in crystal structures. This article is part of a Special Issue entitled: Protein Structure and Function in the Crystalline State.

  11. The calibration and electron energy reconstruction of the BGO ECAL of the DAMPE detector

    NASA Astrophysics Data System (ADS)

    Zhang, Zhiyong; Wang, Chi; Dong, Jianing; Wei, Yifeng; Wen, Sicheng; Zhang, Yunlong; Li, Zhiying; Feng, Changqing; Gao, Shanshan; Shen, ZhongTao; Zhang, Deliang; Zhang, Junbin; Wang, Qi; Ma, SiYuan; Yang, Di; Jiang, Di; Chen, Dengyi; Hu, Yiming; Huang, Guangshun; Wang, Xiaolian; Xu, Zizong; Liu, Shubin; An, Qi; Gong, Yizhong

    2016-11-01

    The DArk Matter Particle Explorer (DAMPE) is a space experiment designed to search for dark matter indirectly by measuring the spectra of photons, electrons, and positrons up to 10 TeV. The BGO electromagnetic calorimeter (ECAL) is its main sub-detector for energy measurement. In this paper, the instrumentation and development of the BGO ECAL is briefly described. The calibration on the ground, including the pedestal, minimum ionizing particle (MIP) peak, dynode ratio, and attenuation length with the cosmic rays and beam particles is discussed in detail. Also, the energy reconstruction results of the electrons from the beam test are presented.

  12. 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.

  13. Focused ion-beam writing of channel waveguides in bismuth germanate crystal for telecommunication bands

    NASA Astrophysics Data System (ADS)

    He, Ruiyun; Vanga, Sudheer Kumar; Bettiol, Andrew A.; Chen, Feng

    2015-05-01

    We report on the fabrication of channel waveguides in bismuth germanate (BGO) crystal using focused ion-beam writing. 1 and 2 MeV He+ ions with different fluences are utilized to directly write waveguides in BGO crystal. The guiding properties of the BGO waveguides are explored at the wavelengths of 632.8 nm, 1.31 μm and 1.55 μm, showing that the channel waveguides support light guidance from visible to telecommunication bands along both transverse-electric and transverse-magnetic polarizations.

  14. High-Energy Calibration of a BGO Detector of the GLAST Burst Monitor

    SciTech Connect

    von Kienlin, Andreas; Fishman, Gerald J.; Briggs, Michael S.; Godfrey, Gary L.; Steinle, Helmut; /Garching, Max Planck Inst., MPE

    2011-11-30

    The understanding of the instrumental response of the GLAST Burst Monitor BGO detectors at energies above the energy range which is accessible by common laboratory radiation sources (< 4.43 MeV), is important, especially for the later cross-calibration with the LAT response in the overlap region between {approx}20 MeV to 30 MeV. In November 2006 the high-energy calibration of the GBM-BGO spare detector was performed at the small Van-de-Graaff accelerator at SLAC. High-energy gamma-rays from excited {sup 8}Be* (14.6 MeV and 17.5 MeV) and {sup 16}O* (6.1 MeV) were generated through (p, {gamma})-reactions by irradiating a LiF-target. For the calibration at lower energies radioactive sources were used. The results, including spectra, the energy/channel-relation and the dependence of energy resolution are presented.

  15. 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. PMID:26795584

  16. Imaging performance of silicon photomultipliers coupled to BGO and CsI:Na arrays

    NASA Astrophysics Data System (ADS)

    David, S.; Georgiou, M.; Fysikopoulos, E.; Belcari, N.; Loudos, G.

    2013-12-01

    The aim of this study is to investigate the imaging performance of a silicon photomultiplier array (ArraySL-4) photodetector for possible PET and potentially SPECT applications using BGO and CsI(Na) pixellated scintillators. Our main objectives are: i) the comparison of the ArraySL-4 to the older version SensL's SPMArray4 photo detector in terms of energy resolution and peak to valley ratio of a row profile in the flood image and ii) the study of the effect of different coupling schemes using ultra transmitting glass windows of various thicknesses. We acquired raw images from two pixellated scintillators (BGO with 2 × 2×5 mm3 and CsI:Na with 1 × 1×5 mm3 pixel sizes) irradiated with 511 keV and 1274.5 keV γ-rays from a 22Na source. The SiPM array detector allowed the clear visualization of the discrete 2 × 2 mm2 pixellated BGO and 1 × 1 mm2 CsI:Na scintillator elements at room temperature (no cooling). The energy resolution of the new SensL ArraySL-4 detector for the 2 × 2×5 mm3 BGO pixellated scintillator array is improved for rather 6 percentage points (energy resolution improvement equal to 22%) and the peak to valley ratio is measured higher for both scintillator arrays (for BGO 68% (1.7 × ) and for CsI:Na 154% (2.5 × )) compared with SPMArray4. The clear identification of the 1 × 1 mm2 CsI:Na scintillator elements provides evidence that the combination of those SiPMs with even smaller arrays can be used as an efficient imaging detector module. Optical coupling significantly improves image uniformity, while the use of BK7 ultra transmitting glass window with 1.35 mm thickness provided the best measure energy resolution equal to 21.5%.

  17. 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

  18. 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

  19. 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.

  20. Nanoliter microfluidic hybrid method for simultaneous screening and optimization validated with crystallization of membrane proteins

    PubMed Central

    Li, Liang; Mustafi, Debarshi; Fu, Qiang; Tereshko, Valentina; Chen, Delai L.; Tice, Joshua D.; Ismagilov, Rustem F.

    2006-01-01

    High-throughput screening and optimization experiments are critical to a number of fields, including chemistry and structural and molecular biology. The separation of these two steps may introduce false negatives and a time delay between initial screening and subsequent optimization. Although a hybrid method combining both steps may address these problems, miniaturization is required to minimize sample consumption. This article reports a “hybrid” droplet-based microfluidic approach that combines the steps of screening and optimization into one simple experiment and uses nanoliter-sized plugs to minimize sample consumption. Many distinct reagents were sequentially introduced as ≈140-nl plugs into a microfluidic device and combined with a substrate and a diluting buffer. Tests were conducted in ≈10-nl plugs containing different concentrations of a reagent. Methods were developed to form plugs of controlled concentrations, index concentrations, and incubate thousands of plugs inexpensively and without evaporation. To validate the hybrid method and demonstrate its applicability to challenging problems, crystallization of model membrane proteins and handling of solutions of detergents and viscous precipitants were demonstrated. By using 10 μl of protein solution, ≈1,300 crystallization trials were set up within 20 min by one researcher. This method was compatible with growth, manipulation, and extraction of high-quality crystals of membrane proteins, demonstrated by obtaining high-resolution diffraction images and solving a crystal structure. This robust method requires inexpensive equipment and supplies, should be especially suitable for use in individual laboratories, and could find applications in a number of areas that require chemical, biochemical, and biological screening and optimization. PMID:17159147

  1. A quantitative PGNAA study for use in aqueous solution measurements using Am-Be neutron source and BGO scintillation detector

    NASA Astrophysics Data System (ADS)

    Ghal-Eh, N.; Ahmadi, P.; Doost-Mohammadi, V.

    2016-02-01

    A prompt gamma neutron activation analysis (PGNAA) system including an Am-Be neutron source and BGO scintillation detector are used for quantitative analysis of bulk samples. Both Monte Carlo-simulated and experimental data are considered as input data libraries for two different procedures based on neural network and least squares methods. The results confirm the feasibility and precision of the proposed methods.

  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. 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.

  4. 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

  5. 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)

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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

  11. 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.

  12. Prompt gamma tests of LaBr3:Ce and BGO detectors for detection of hydrogen, carbon and oxygen in bulk samples

    NASA Astrophysics Data System (ADS)

    Naqvi, A. A.; Al-Matouq, Fares A.; Khiari, F. Z.; Isab, A. A.; Rehman, Khateeb-ur; Raashid, M.

    2012-08-01

    Prompt gamma ray tests of cylindrical lanthanum halide (LaBr3:Ce) and bismuth germanate (BGO) gamma ray detectors have been carried out for detection of hydrogen, carbon and oxygen concentrations in bulk samples via inelastic scattering of neutrons using a 14 MeV neutron-based prompt gamma neutron activation analysis setup. Regardless of its intrinsic activity, the LaBr3:Ce detector showed superior performance than the BGO detector for the detection of hydrogen, carbon and oxygen concentrations in benzene, water, toluene, propanol, ethanol and methanol bulk samples. The BGO detector has a large concentration of oxygen in its detector material and is consequently less sensitive for oxygen detection in bulk samples. Hence, it is not a suitable choice for oxygen determination in bulk samples.

  13. 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.

  14. A BGO/GSO position sensitive block detector for a high resolution positron emission tomography with depth of interaction detection capability

    SciTech Connect

    Yamamoto, S.

    1996-12-31

    We developed a position sensitive block detector with depth of interaction detection capability for positron emission tomography (PET). The detector consists of 6 x 8 array of GSO scintillators, 6 x 8 array of BGO scintillators and two dual photomultiplier tubes (PMT). The GSO scintillators are optically coupled to front surface of the BGO scintillators. The position of 6 x 8 scintillators are determined by the Anger principle and depth of interaction position is determined by using the pulse shape analysis of GSOs and BGOs. Performance of the block detector was measured. Position distribution of the developed BGO/GSO block detector was little distorted. However the separation of the spots was still enough to distinguish the scintillators in transaxial and axial directions. Since pulse shape distribution using a developed simple pulse shape analyzer had two peaks, it is possible to separate the GSOs and BGOs for depth of interaction detection. With these results, a high resolution PET with depth of interaction detection capability will be possible using the developed BGO/GSO block detectors.

  15. Spin distributions for {sup 64}Ni+{sup 100}Mo with the Argonne/Notre Dame BGO-array

    SciTech Connect

    Ackermann, D. |; Back, B.B.; Betts, R.R.; Carpenter, M.

    1997-09-01

    The experimental representation of the fusion barrier distribution from the second derivative, d{sup 2}(E{sigma}{sub fus})/dE{sup 2}, was the basis for a series of precise measurements of the fusion excitation function. As an alternative approach, it has been proposed recently that the first derivative of the compounds nucleus (CN) spin distribution is equivalent to d{sup 2}(E{sigma}{sub fus})/dE{sup 2}. Multiplicity distributions for the reactions {sup 64}Ni+{sup 100}Mo and {sup 32}S+{sup 110}Pd have been measured making use of the Argonne/Notre Dame-BGO-array and GASP, respectively. In particular, the influence of fission on the high spin tail of the spin distribution and the consequences for the experimental representation of the distribution of barriers is discussed for {sup 64}Ni+{sup 100}Mo.

  16. 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.

  17. 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

  18. 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.

  19. Performance Characteristics of BGO Detectors for a Low Cost Preclinical PET Scanner

    PubMed Central

    Zhang, H.; Vu, N. T.; Bao, Q.; Silverman, R. W.; Berry-Pusey, B. N.; Douraghy, A.; Williams, D. A.; Rannou, F. R.; Stout, D. B.; Chatziioannou, A. F.

    2010-01-01

    PETbox is a low-cost benchtop PET scanner dedicated to high throughput preclinical imaging that is currently under development at our institute. This paper presents the design and characterization of the detectors that are used in the PETbox system. In this work, bismuth germanate scintillator was used for the detector, taking advantage of its high stopping power, high photoelectric event fraction, lack of intrinsic background radiation and low cost. The detector block was segmented into a pixelated array consisting of 20 × 44 elements, with a crystal pitch of 2.2 mm and a crystal cross section of 2 mm × 2 mm. The effective area of the array was 44 mm × 96.8 mm. The array was coupled to two Hamamatsu H8500 position sensitive photomultiplier tubes, forming a flat-panel type detector head with a sensitive area large enough to cover the whole body of a typical laboratory mouse. Two such detector heads were constructed and their performance was characterized. For one detector head, the energy resolution ranged from 16.1% to 38.5% full width at half maximum (FWHM), with a mean of 20.1%; for the other detector head, the energy resolution ranged from 15.5% to 42.7% FWHM, with a mean of 19.6%. The intrinsic spatial resolution was measured to range from 1.55 mm to 2.39 mm FWHM along the detector short axis and from 1.48 mm to 2.33 mm FWHM along the detector long axis, with an average of 1.78 mm. Coincidence timing resolution for the detector pair was measured to be 4.1 ns FWHM. These measurement results show that the detectors are suitable for our specific application. PMID:21165154

  20. 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

  1. 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.

  2. 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. PMID:26943903

  3. 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.

  4. 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

  5. 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.

  6. 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. PMID:27175009

  7. 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.

  8. Bulk crystal growth of scintillator materials for gamma ray detectors

    NASA Astrophysics Data System (ADS)

    Aggarwal, Mohan

    2008-10-01

    Within the past few years, it has been demonstrated that several new rare earth halide scintillation detector crystals such as cerium doped lanthanum bromide (LaBr3:Ce) have high output and improved energy deposit to light linearity and thus they can substantially enhance the performance of the next generation of gamma ray detectors. These detectors have a variety of applications in NASA hard x-ray and gamma ray missions, high energy physics, home land security and medical imaging applications. This cerium doped lanthanum bromide crystal has ˜1100% the light output of BGO, resulting in better energy resolution than conventional scintillators. This is equivalent to 60000 photons per MeV of deposited energy. This new series of scintillator materials promise to usher a breakthrough in the field, if sufficiently large and clear crystals of this material can be grown. These halides however are highly hygroscopic and hence pose some difficulty in growing crystals. Efforts are being made to grow this and other materials in this family of crystals and successful results have been achieved. An overview of the challenges encountered during the synthesis and melt crystal growth of these rare earth halide scintillators shall be presented.

  9. 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

  10. 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. PMID:27148112

  11. 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

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

    PubMed

    Dridi, Wassim; Zid, Mohamed Faouzi

    2016-08-01

    Single crystals of a new variety of tetra-sodium 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 tetra-hedra, forming a three-dimensional framework containing two types of hexa-gonal channels in which Na(+) cations reside. The Cu(2+) and Na(2+) 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

  13. 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.

  14. Dependence of the energy resolution of a scintillating crystal on the readout integration time

    NASA Astrophysics Data System (ADS)

    Bocci, V.; Chao, D.; Chiodi, G.; Faccini, R.; Ferroni, F.; Lunadei, R.; Martellotti, G.; Penso, G.; Pinci, D.; Recchia, L.

    2012-09-01

    The possibilty of performing high-rate calorimetry with a slow scintillating crystal is studied. In this experimental situation, to avoid pulse pile-up, it can be necessary to base the energy measurement on only a fraction of the emitted light, thus spoiling the energy resolution. This effect was experimentally studied with a BGO crystal and a photomultiplier followed by an integrator, by measuring the maximum amplitude of the signals. The experimental data show that the energy resolution is exclusively due to the statistical fluctuations of the number of photoelectrons contributing to the maximum amplitude. When such number is small its fluctuations are even smaller than those predicted by Poisson statistics. These results were confirmed by a Monte Carlo simulation which allows to estimate, in a general case, the energy resolution, given the total number of photoelectrons, the scintillation time and the integration time.

  15. Monte Carlo calculations of the optical coupling between bismuth germanate crystals and photomultiplier tubes

    SciTech Connect

    Derenzo, S.E.; Riles, J.K.

    1981-10-01

    The high density and atomic number of bismuth germanate (Bi/sub 4/Ge/sub 3/O/sub 12/ or BGO) make it a very useful detector for positron emission tomography. Modern tomograph designs use large numbers of small, closely-packed crystals for high spatial resolution and high sensitivity. However, the low light output, the high refractive index (n=2.15), and the need for accurate timing make it important to optimize the transfer of light to the photomultiplier tube (PMT). We describe the results of a Monte Carlo computer program developed to study the effect of crystal shape, reflector type, and the refractive index of the PMT window on coupling efficiency. The program simulates total internal, external, and Fresnel reflection as well as internal absorption and scattering by bubbles.

  16. Crystal structure of a metal-dependent phosphoesterase (YP_910028.1) from Bifidobacterium adolescentis: Computational prediction and experimental validation of phosphoesterase activity

    PubMed Central

    Han, Gye Won; Ko, Jaeju; Farr, Carol L.; Deller, Marc C.; Xu, Qingping; Chiu, Hsiu-Ju; Miller, Mitchell D.; Sefcikova, Jana; Somarowthu, Srinivas; Beuning, Penny J.; Elsliger, Marc-André; Deacon, Ashley M.; Godzik, Adam; Lesley, Scott A.; Wilson, Ian A.; Ondrechen, Mary Jo

    2011-01-01

    The crystal structures of an unliganded and adenosine 5′-monophosphate (AMP) bound, metal-dependent phosphoesterase (YP_910028.1) from Bifidobacterium adolescentis are reported at 2.4 Å and 1.94 Å, respectively. Functional characterization of this enzyme was guided by computational analysis and then confirmed by experiment. The structure consists of a PHP (Polymerase and Histidinol Phosphatase, Pfam: PF02811) domain with a second domain (residues 105–178) inserted in the middle of the PHP sequence. The insert domain functions in binding AMP, but the precise function and substrate specificity of this domain is unknown. Initial bioinformatics analyses yielded multiple potential functional leads, with most of them suggesting DNA polymerase or DNA replication activity. Phylogenetic analysis indicated a potential DNA polymerase function that was somewhat supported by global structural comparisons identifying the closest structural match to the alpha subunit of DNA polymerase III. However, several other functional predictions, including phosphoesterase, could not be excluded. THEMATICS, a computational method for the prediction of active sites from protein 3D structures, identified potential reactive residues in YP_910028.1. Further analysis of the predicted active site and local comparison with its closest structure matches strongly suggested phosphoesterase activity, which was confirmed experimentally. Primer extension assays on both normal and mismatched DNA show neither extension nor degradation and provide evidence that YP_910028.1 has neither DNA polymerase activity nor DNA proofreading activity. These results suggest that many of the sequence neighbors previously annotated as having DNA polymerase activity may actually be misannotated. PMID:21538547

  17. 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.

  18. 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.

  19. 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)

  20. Crystal Systems.

    ERIC Educational Resources Information Center

    Schomaker, Verner; Lingafelter, E. C.

    1985-01-01

    Discusses characteristics of crystal systems, comparing (in table format) crystal systems with lattice types, number of restrictions, nature of the restrictions, and other lattices that can accidently show the same metrical symmetry. (JN)

  1. 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.

  2. 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.

  3. Antibody validation

    PubMed Central

    Bordeaux, Jennifer; Welsh, Allison W.; Agarwal, Seema; Killiam, Elizabeth; Baquero, Maria T.; Hanna, Jason A.; Anagnostou, Valsamo K.; Rimm, David L.

    2013-01-01

    Antibodies are among the most frequently used tools in basic science research and in clinical assays, but there are no universally accepted guidelines or standardized methods for determining the validity of these reagents. Furthermore, for commercially available antibodies, it is clear that what is on the label does not necessarily correspond to what is in the tube. To validate an antibody, it must be shown to be specific, selective, and reproducible in the context for which it is to be used. In this review, we highlight the common pitfalls when working with antibodies, common practices for validating antibodies, and levels of commercial antibody validation for seven vendors. Finally, we share our algorithm for antibody validation for immunohistochemistry and quantitative immunofluorescence. PMID:20359301

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. Initial results from the Donner 600 crystal positron tomograph

    SciTech Connect

    Derenzo, S.E.; Huesman, R.H.; Cahoon, J.L.; Geyer, A.; Uber, D.; Vuletich, T.; Budinger, T.F.

    1987-02-01

    The authors describe a positron tomography using a single ring of 600 close-packed 3 mm wide bismuth germanate (BGO) crystals coupled to 14 mm phototubes. The phototube preamplifier circuit derives a timing pulse from the first photoelectron, and sends it to address and coincidence circuits only if the integrated pulse height is within a pre-set window. The timing delays and pulse height windows for all 600 detectors and the coincidence timing windows are computer adjustable. An orbiting positron source is used for transmission measurements and look-up table is used to reject scattered and random coincidences that do not pass through the source. Data can be acquired using a stationary mode for 1.57 mm lateral sampling or the two-position clam sampling mode for 0.79 mm lateral sampling. High maximum data rates are provided by 45 parallel coincidence circuits and 4 parallel histogram memory units. With two-position sampling and 1.57 mm bins, the reconstructed point spread function (PSF) of a 0.35 mm diam /sup 22/Na wire source at the center of the tomograph is circular with 2.9 mm full-width at half-maximum (fwhm) and the PSF at a distance of 8 cm from the center is elliptical with a radial fwhm of 4.0 mm and tangential fwhm of 3.0 mm.

  9. Initial results from the Donner 600 crystal positron tomograph

    SciTech Connect

    Derenzo, S.E.; Huesman, R.H.; Cahoon, J.L.; Geyer, A.; Uber, D.; Vuletich, T.; Budinger, T.F.

    1986-10-01

    We describe a positron tomograph using a single ring of 600 close-packed 3 mm wide bismuth germanate (BGO) crystals coupled to 14 mm phototubes. The phototube preamplifier circuit derives a timing pulse from the first photoelectron, and sends it to address and coincidence circuits only if the integrated pulse height is within a pre-set window. The timing delays and pulse height windows for all 600 detectors and the coincidence timing windows are computer adjustable. An orbiting positron source is used for transmission measurements and a look-up table is used to reject scattered and random coincidences that do not pass through the source. Data can be acquired using a stationary mode for 1.57 mm lateral sampling or the two-position clam sampling mode for 0.79 mm lateral sampling. High maximum data rates are provided by 45 parallel coincidence circuits and 4 parallel histogram memory units. With two-position sampling and 1.57 mm bins, the reconstructed point spread function (PSF) of a 0.35 mm diam /sup 22/Na wire source at the center of the tomograph is circular with 2.9 mm full-width at half-maximum (fwhm) and the PSF at a distance of 8 cm from the center is elliptical with a radial fwhm of 4.0 mm and tangential fwhm of 3.0 mm. 12 refs., 6 figs., 3 tabs.

  10. 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.

  11. Microfluidic crystallization.

    PubMed

    Leng, Jacques; Salmon, Jean-Baptiste

    2009-01-01

    Microfluidics offers a wide range of new tools that permit one to revisit the formation of crystals in solution and yield insights into crystallization processes. We review such recent microfluidic devices and particularly emphasize lab-on-chips dedicated to the high-throughput screening of crystallization conditions of proteins with nanolitre consumption. We also thoroughly discuss the possibilities offered by the microfluidic tools to acquire thermodynamic and kinetic data that may improve industrial processes and shed a new light on nucleation and growth mechanisms.

  12. Crystal Furnace

    NASA Technical Reports Server (NTRS)

    1985-01-01

    A "melt recharging" technique which eliminates the cooldown and heating periods in a crystal "growing" crucible, resulted from a Jet Propulsion Laboratory (JPL)/Kayex Corporation program. Previously, the cost of growing the silicon solar cells had been very high. The JPL/Kayex system improved productivity by serially growing crystals from the same crucible using a melt recharger which made it possible to add raw silicon to an operating crucible. An isolation value, developed by Kayex, allowed the hopper to be lowered into the crucible without disturbing the inert gas atmosphere. The resulting product, a CG6000 crystal growing furnace, has become the company's major product.

  13. 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.

  14. 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.

  15. Surface energies of elemental crystals.

    PubMed

    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

  16. 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.

  17. 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.

  18. Laser Crystal

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Lightning Optical Corporation, under an SBIR (Small Business Innovative Research) agreement with Langley Research Center, manufactures oxide and fluoride laser gain crystals, as well as various nonlinear materials. The ultimate result of this research program is the commercial availability in the marketplace of a reliable source of high-quality, damage resistant laser material, primarily for diode-pumping applications.

  19. 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,…

  20. 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)

  1. 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…

  2. Partial confinement photonic crystal waveguides

    SciTech Connect

    Saini, S.; Hong, C.-Y.; Pfaff, N.; Kimerling, L. C.; Michel, J.

    2008-12-29

    One-dimensional photonic crystal waveguides with an incomplete photonic band gap are modeled and proposed for an integration application that exploits their property of partial angular confinement. Planar apodized photonic crystal structures are deposited by plasma enhanced chemical vapor deposition and characterized by reflectivity as a function of angle and polarization, validating a partial confinement design for light at 850 nm wavelength. Partial confinement identifies an approach for tailoring waveguide properties by the exploitation of conformal film deposition over a substrate with angularly dependent topology. An application for an optoelectronic transceiver is demonstrated.

  3. Gold nanoparticle capture within protein crystal scaffolds.

    PubMed

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

    2016-07-01

    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. PMID:27264210

  4. 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

  5. Pyroelectric and photogalvanic crystal accelerators

    SciTech Connect

    Kukhtarev, N. V.; Kukhtareva, T. V.; Stargell, G.; Wang, J. C.

    2009-07-01

    In this study, we have derived equations for the pyroelectric and photogalvanic contribution to the electrical charging of the photosensitive ferroelectric crystal. Standard photorefractive equations are supplemented by the equation of state for the polarization density following the Devonshire-Ginsburg-Landau (DGL) approach. The photogalvanic voltage and current is considered for a wide intensity range, which includes the cw and the pulsed photoexcitation with high intensities when the impurity is fully ionized and when the traditional linear-recombination approach is not valid. The crystal electrostatic accelerators, based on charging of ferroelectric crystals by pyroelectric and photogalvanic effects, are discussed in relation to the generation of the self-focused electron beam, x rays, and neutrons.

  6. 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.

  7. Novel photonic crystal cavities and related structures.

    SciTech Connect

    Luk, Ting Shan

    2007-11-01

    The key accomplishment of this project is to achieve a much more in-depth understanding of the thermal emission physics of metallic photonic crystal through theoretical modeling and experimental measurements. An improved transfer matrix technique was developed to enable incorporation of complex dielectric function. Together with microscopic theory describing emitter radiative and non-radiative relaxation dynamics, a non-equilibrium thermal emission model is developed. Finally, experimental methodology was developed to measure absolute emissivity of photonic crystal at high temperatures with accuracy of +/-2%. Accurate emissivity measurements allow us to validate the procedure to treat the effect of the photonic crystal substrate.

  8. 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.

  9. Construct Validity and Case Validity in Assessment

    ERIC Educational Resources Information Center

    Teglasi, Hedwig; Nebbergall, Allison Joan; Newman, Daniel

    2012-01-01

    Clinical assessment relies on both "construct validity", which focuses on the accuracy of conclusions about a psychological phenomenon drawn from responses to a measure, and "case validity", which focuses on the synthesis of the full range of psychological phenomena pertaining to the concern or question at hand. Whereas construct validity is…

  10. Automating the application of smart materials for protein crystallization

    PubMed Central

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

    2015-01-01

    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. PMID:25760603

  11. 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

  12. 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.

  13. Ribbon crystals.

    PubMed

    Bohr, Jakob; Markvorsen, Steen

    2013-01-01

    A repetitive crystal-like pattern is spontaneously formed upon the twisting of straight ribbons. The pattern is akin to a tessellation with isosceles triangles, and it can easily be demonstrated with ribbons cut from an overhead transparency. We give a general description of developable ribbons using a ruled procedure where ribbons are uniquely described by two generating functions. This construction defines a differentiable frame, the ribbon frame, which does not have singular points, whereby we avoid the shortcomings of the Frenet-Serret frame. The observed spontaneous pattern is modeled using planar triangles and cylindrical arcs, and the ribbon structure is shown to arise from a maximization of the end-to-end length of the ribbon, i.e. from an optimal use of ribbon length. The phenomenon is discussed in the perspectives of incompatible intrinsic geometries and of the emergence of long-range order.

  14. Ribbon Crystals

    PubMed Central

    Bohr, Jakob; Markvorsen, Steen

    2013-01-01

    A repetitive crystal-like pattern is spontaneously formed upon the twisting of straight ribbons. The pattern is akin to a tessellation with isosceles triangles, and it can easily be demonstrated with ribbons cut from an overhead transparency. We give a general description of developable ribbons using a ruled procedure where ribbons are uniquely described by two generating functions. This construction defines a differentiable frame, the ribbon frame, which does not have singular points, whereby we avoid the shortcomings of the Frenet–Serret frame. The observed spontaneous pattern is modeled using planar triangles and cylindrical arcs, and the ribbon structure is shown to arise from a maximization of the end-to-end length of the ribbon, i.e. from an optimal use of ribbon length. The phenomenon is discussed in the perspectives of incompatible intrinsic geometries and of the emergence of long-range order. PMID:24098360

  15. 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)

  16. 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)

  17. Face Validity Revisited.

    ERIC Educational Resources Information Center

    Nevo, Baruch

    1985-01-01

    A literature review and a proposed means of measuring face validity, a test's appearance of being valid, are presented. Empirical evidence from examinees' perceptions of a college entrance examination support the reliability of measuring face validity. (GDC)

  18. Laser-induced crystallization and crystal growth.

    PubMed

    Sugiyama, Teruki; Masuhara, Hiroshi

    2011-11-01

    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.

  19. 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.

  20. Construct validity and case validity in assessment.

    PubMed

    Teglasi, Hedwig; Nebbergall, Allison Joan; Newman, Daniel

    2012-06-01

    Clinical assessment relies on both construct validity, which focuses on the accuracy of conclusions about a psychological phenomenon drawn from responses to a measure, and case validity, which focuses on the synthesis of the full range of psychological phenomena pertaining to the concern or question at hand. Whereas construct validity is grounded in understanding causal influences of a distinct phenomenon on responses to various measures and life contexts, case validity encompasses the joint influences of multiple phenomena on individuals' responses. Two sets of distinctions essential to understanding psychological phenomena, hence to understanding construct validity, are (a) implicit and explicit versions of personality constructs and (b) ability and personality as versions of constructs measured by performance tests presenting maximal and typical conditions, respectively. Since both implicit and explicit versions of constructs interface with maximal or typical performance conditions, case validity requires systematic inclusion of these distinctions in assessment protocols. PMID:22040515

  1. 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

  2. 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…

  3. 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.

  4. 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.

  5. Liquid encapsulated crystal growth

    NASA Technical Reports Server (NTRS)

    Morrison, Andrew D. (Inventor)

    1987-01-01

    Low-defect crystals are grown in a closed ampoule under a layer of encapsulant. After crystal growth, the crystal is separated from the melt and moved into the layer of encapsulant and cooled to a first temperature at which crystal growth stops. The crystal is then moved into the inert gas ambient in the ampoule and further cooled. The crystal can be separated from the melt by decanting the melt into and adjacent reservoir or by rotating the ampoule to rotate the crystal into the encapsulant layer.

  6. Liquid encapsulated crystal growth

    NASA Technical Reports Server (NTRS)

    Morrison, Andrew D. (Inventor)

    1989-01-01

    Low-defect crystals are grown in a closed ampoule under a layer of encapsulant. After crystal growth, the crystal is separated from the melt and moved into the layer of encapsulant and cooled to a first temperature at which crystal growth stops. The crystal is then moved into the inert gas ambient in the ampoule and further cooled. The crystal can be separated from the melt by decanting the melt into an adjacent reservoir or by rotating the ampoule to rotate the crystal into the encapsulant layer.

  7. 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.

  8. 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.

  9. 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.

  10. Characterisation of crystal matrices and single pixels for nuclear medicine applications

    NASA Astrophysics Data System (ADS)

    Herbert, D. J.; Belcari, N.; Camarda, M.; Guerra, A. Del; Vaiano, A.

    2005-01-01

    Commercially constructed crystal matrices are characterised for use with PSPMT detectors for PET system developments and other nuclear medicine applications. The matrices of different scintillation materials were specified with pixel dimensions of 1.5×1.5 mm2 in cross-section and a length corresponding to one gamma ray interaction length at 511 keV. The materials used in this study were BGO, LSO, LYSO, YSO and CsI(Na). Each matrix was constructed using a white TiO loaded epoxy that forms a 0.2 mm septa between each pixel. The white epoxy is not the optimum choice in terms of the reflective properties, but represents a good compromise between cost and the need for optical isolation between pixels. We also tested a YAP matrix that consisted of pixels of the same size specification but was manufactured by a different company, who instead of white epoxy, used a thin aluminium reflective layer for optical isolation that resulted in a septal thickness of just 0.01 mm, resulting in a much higher packing fraction. The characteristics of the scintillation materials, such as the light output and energy resolution, were first studied in the form of individual crystal elements by using a single pixel HPD. A comparison of individual pixels with and without the epoxy/dielectric coatings was also performed. Then the matrices themselves were coupled to a PSPMT in order to study the imaging performance. In particular, the system pixel resolution and the peak to valley ratio were measured at 511 and 122 keV.

  11. 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.

  12. Validity, Responsibility, and Aporia

    ERIC Educational Resources Information Center

    Koro-Ljungberg, Mirka

    2010-01-01

    In this article, the author problematizes external, objectified, oversimplified, and mechanical approaches to validity in qualitative research, which endorse simplistic and reductionist views of knowledge and data. Instead of promoting one generalizable definition or operational criteria for validity, the author's "deconstructive validity work"…

  13. Cross-Validation.

    ERIC Educational Resources Information Center

    Langmuir, Charles R.

    1954-01-01

    Cross-validation in relation to choosing the best tests and selecting the best items in tests is discussed. Cross-validation demonstrated whether a decision derived from one set of data is truly effective when this decision is applied to another independent, but relevant, sample of people. Cross-validation is particularly important after…

  14. Do protein crystals nucleate within dense liquid clusters?

    PubMed Central

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

    2015-01-01

    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. PMID:26144225

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. Crystal Field Studies on MgGa2O4:Ni2+

    NASA Astrophysics Data System (ADS)

    Andreici, L.; Stanciu, M.; Avram, N. M.

    2010-08-01

    The energy levels scheme of octahedrally coordinated Ni2+ ion in single crystal, powder nano-single crystal, ceramics and glass-ceramics of MgGa2O4 host matrix, has been calculated in the exchange charge model of crystal field. The parameters of the crystal field acting on the Ni2+ ion are calculated from the crystal structure data, after optimization of the geometry of the system. The energy level schemes have been calculated by diagonalization of the crystal field Hamiltonian of this system. The obtained results were compared with experimental data; a good agreement were demonstrated, which confirm the validity of the model and used method.

  20. 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

  1. 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.

  2. 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

  3. 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.

  4. Total immersion crystal growth

    NASA Technical Reports Server (NTRS)

    Morrison, Andrew D. (Inventor)

    1987-01-01

    Crystals of wide band gap materials are produced by positioning a holder receiving a seed crystal at the interface between a body of molten wide band gap material and an overlying layer of temperature-controlled, encapsulating liquid. The temperature of the layer decreases from the crystallization temperature of the crystal at the interface with the melt to a substantially lower temperature at which formation of crystal defects does not occur, suitably a temperature of 200 to 600 C. After initiation of crystal growth, the leading edge of the crystal is pulled through the layer until the leading edge of the crystal enters the ambient gas headspace which may also be temperature controlled. The length of the column of liquid encapsulant may exceed the length of the crystal such that the leading edge and trailing edge of the crystal are both simultaneously with the column of the crystal. The crystal can be pulled vertically by means of a pulling-rotation assembly or horizontally by means of a low-angle withdrawal mechanism.

  5. 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...

  6. Triangular ice crystals

    NASA Astrophysics Data System (ADS)

    Murray, Benjamin; Salzmann, Christoph; Heymsfield, Andrew; Neely, Ryan

    2014-05-01

    We are all familiar with the hexagonal form of snow crystals and it is well established that this shape is derived from the arrangement of water molecules in the crystal lattice. However, crystals with a triangular form are often found in the Earth's atmosphere and the reason for this non-hexagonal shape has remained elusive. Recent laboratory work has shed light on why ice crystals should take on this triangular or three-fold scalene habit. Studies of the crystal structure of ice have shown that ice which initially crystallises can be made of up of hexagonal layers which are interlaced with cubic layers to produce a 'stacking disordered ice'. The degree of stacking disorder can vary from crystals which are dominantly hexagonal with a few cubic stacking faults, through to ice where the cubic and hexagonal sequences are fully randomised. The introduction of stacking disorder to ice crystals reduces the symmetry of the crystal from 6-fold (hexagonal) to 3-fold (triangular); this offers an explanation for the long standing problem of why some atmospheric ice crystals have a triangular habit. We discuss the implications of triangular crystals for halos, radiative properties, and also discuss the implications for our understanding of the nucleation and early stages of ice crystal growth for ice crystals in the atmosphere.

  7. 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…

  8. 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.

  9. 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.

  10. Understanding single-crystal superalloys

    NASA Technical Reports Server (NTRS)

    Dreshfield, Robert L.

    1986-01-01

    The unique properties of single crystals are considered. The anisotropic properties of single crystals, and the relation between crystal orientation and the fatigue life and slip systems of the crystals are examined. The effect of raft formation on the creep-rupture life of the crystals is studied. Proposed research on the properties of and new applications for single crystals is discussed.

  11. 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.

  12. Welding Molecular Crystals.

    PubMed

    Adolf, Cyril R R; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais

    2015-12-16

    Both for fundamental and applied sciences, the design of complex molecular systems in the crystalline phase with strict control of order and periodicity at both microscopic and macroscopic levels is of prime importance for development of new solid-state materials and devices. The design and fabrication of complex crystalline systems as networks of crystals displaying task-specific properties is a step toward smart materials. Here we report on isostructural and almost isometric molecular crystals of different colors, their use for fabrication of core-shell crystals, and their welding by 3D epitaxial growth into networks of crystals as single-crystalline entities. Welding of crystals by self-assembly processes into macroscopic networks of crystals is a powerful strategy for the design of hierarchically organized periodic complex architectures composed of different subdomains displaying targeted characteristics. Crystal welding may be regarded as a first step toward the design of new hierarchically organized complex crystalline systems.

  13. 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.

  14. 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

  15. 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

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

    NASA Astrophysics Data System (ADS)

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

    2006-01-01

    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. protein crystallization | phase diagram | microbatch | vapor diffusion

  17. Validation of NDE methods

    NASA Astrophysics Data System (ADS)

    Phares, Brent M.; Washer, Glenn A.; Moore, Mark; Graybeal, Benjamin A.

    1999-02-01

    The NDE Validation Center is a national resource for the independent and quantitative evaluation of existing and emerging NDE techniques. The resources of the NDE Validation Center are available to federal and state agencies, the academic community, and industry. The NDE Validation Center is designed to perform critical evaluations of NDE technologies and to provide a source of information and guidance to users and developers of NDE systems. This paper describes the resources available at the Center and the initial efforts to validate the visual inspection of highway bridges. Efforts to evaluate various NDE methods for the inspection of bridge hanger pins are also described.

  18. 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.

  19. 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. PMID:19950907

  20. 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.

  1. Protein crystallization image classification with elastic net

    NASA Astrophysics Data System (ADS)

    Hung, Jeffrey; Collins, John; Weldetsion, Mehari; Newland, Oliver; Chiang, Eric; Guerrero, Steve; Okada, Kazunori

    2014-03-01

    Protein crystallization plays a crucial role in pharmaceutical research by supporting the investigation of a protein's molecular structure through X-ray diffraction of its crystal. Due to the rare occurrence of crystals, images must be manually inspected, a laborious process. We develop a solution incorporating a regularized, logistic regression model for automatically evaluating these images. Standard image features, such as shape context, Gabor filters and Fourier transforms, are first extracted to represent the heterogeneous appearance of our images. Then the proposed solution utilizes Elastic Net to select relevant features. Its L1-regularization mitigates the effects of our large dataset, and its L2- regularization ensures proper operation when the feature number exceeds the sample number. A two-tier cascade classifier based on naïve Bayes and random forest algorithms categorized the images. In order to validate the proposed method, we experimentally compare it with naïve Bayes, linear discriminant analysis, random forest, and their two-tier cascade classifiers, by 10-fold cross validation. Our experimental results demonstrate a 3-category accuracy of 74%, outperforming other models. In addition, Elastic Net better reduces the false negatives responsible for a high, domain specific risk. To the best of our knowledge, this is the first attempt to apply Elastic Net to classifying protein crystallization images. Performance measured on a large pharmaceutical dataset also fared well in comparison with those presented in the previous studies, while the reduction of the high-risk false negatives is promising.

  2. 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)

  3. 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…

  4. 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…

  5. 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.

  6. 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…

  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. 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.

  9. Function photonic crystals

    NASA Astrophysics Data System (ADS)

    Wu, Xiang-Yao; Zhang, Bai-Jun; Yang, Jing-Hai; Liu, Xiao-Jing; Ba, Nuo; Wu, Yi-Heng; Wang, Qing-Cai

    2011-07-01

    In this paper, we present a new kind of function photonic crystals (PCs), whose refractive index is a function of space position. Conventional PCs structure grows from two materials, A and B, with different dielectric constants εA and εB. Based on Fermat principle, we give the motion equations of light in one-dimensional, two-dimensional and three-dimensional function photonic crystals. For one-dimensional function photonic crystals, we give the dispersion relation, band gap structure and transmissivity, and compare them with conventional photonic crystals, and we find the following: (1) For the vertical and non-vertical incidence light of function photonic crystals, there are band gap structures, and for only the vertical incidence light, the conventional PCs have band gap structures. (2) By choosing various refractive index distribution functions n( z), we can obtain more wider or more narrower band gap structure than conventional photonic crystals.

  10. Single Crystal Membranes

    NASA Technical Reports Server (NTRS)

    Stormont, R. W.; Morrison, A.

    1974-01-01

    Single crystal a- and c-axis tubes and ribbons of sodium beta-alumina and sodium magnesium beta-alumina were grown from sodium oxide rich melts. Additional experiments grew ribbon crystals containing sodium magnesium beta, beta double prime, beta triple prime, and beta quadruple prime. A high pressure crystal growth chamber, sodium oxide rich melts, and iridium for all surfaces in contact with the melt were combined with the edge-defined, film-fed growth technique to grow the single crystal beta-alumina tubes and ribbons. The crystals were characterized using metallographic and X-ray diffraction techniques, and wet chemical analysis was used to determine the sodium, magnesium, and aluminum content of the grown crystals.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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

  16. Phononic crystal devices

    DOEpatents

    El-Kady, Ihab F.; Olsson, Roy H.

    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.

  17. Sciamachy Validation - Quality Assurance

    NASA Astrophysics Data System (ADS)

    Piters, A. J. M.; Sciavalig

    Sciamachy on Envisat is planned for launch on 1 March 2002. The Sciamachy in- strument and ground segment are designed to deliver total columns and profiles of 11 different species, aerosol and cloud information, pressure and temperature profiles, and UV index. Apart from these operational products many scientific products will be derived. A thorough validation of all these Sciamachy products is a prerequisite for scientific use. The Sciamachy Validation and Interpretation Group, a subgroup of the Sciamachy Science Advisory Group, organises the international Sciamachy vali- dation effort, in close co-operation with the MIPAS and GOMOS validation teams via ESA's Atmospheric Chemistry Validation Team. SCIAVALIG pays special attention to the quality of the output of the validation. The validation output is a regularly up- dated quantitative and complete description of the accuracy of each of the Sciamachy products, formulated in such a way that it is of direct use for algorithm improvement, instrument characterisation, and atmospheric research. The current paper presents the way in which SCIAVALIG plans to achieve this high quality validation output.

  18. 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

  19. 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

  20. 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

  1. Vaterite Crystals Contain Two Interspersed Crystal Structures

    NASA Astrophysics Data System (ADS)

    Kabalah-Amitai, Lee; Mayzel, Boaz; Kauffmann, Yaron; Fitch, Andrew N.; Bloch, Leonid; Gilbert, Pupa U. P. A.; Pokroy, Boaz

    2013-04-01

    Calcite, aragonite, and vaterite are the three anhydrous polymorphs of calcium carbonate, in order of decreasing thermodynamic stability. Although vaterite is not commonly found in geological settings, it is an important precursor in several carbonate-forming systems and can be found in biological settings. Because of difficulties in obtaining large, pure, single crystals, the crystal structure of vaterite has been elusive for almost a century. Using aberration-corrected high-resolution transmission electron microscopy, we found that vaterite is actually composed of at least two different crystallographic structures that coexist within a pseudo-single crystal. The major structure exhibits hexagonal symmetry; the minor structure, existing as nanodomains within the major matrix, is still unknown.

  2. 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.

  3. 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

  4. Fluorescent Applications to Crystallization

    NASA Technical Reports Server (NTRS)

    Pusey, Marc L.; Forsythe, Elizabeth; Achari, Aniruddha

    2006-01-01

    By covalently modifying a subpopulation, less than or equal to 1%, of a macromolecule with a fluorescent probe, the labeled material will add to a growing crystal as a microheterogeneous growth unit. Labeling procedures can be readily incorporated into the final stages of purification, and tests with model proteins have shown that labeling u to 5 percent of the protein molecules does not affect the X-ray data quality obtained . The presence of the trace fluorescent label gives a number of advantages. Since the label is covalently attached to the protein molecules, it "tracks" the protein s response to the crystallization conditions. The covalently attached probe will concentrate in the crystal relative to the solution, and under fluorescent illumination crystals show up as bright objects against a darker background. Non-protein structures, such as salt crystals, do not show up under fluorescent illumination. Crystals have the highest protein concentration and are readily observed against less bright precipitated phases, which under white light illumination may obscure the crystals. Automated image analysis to find crystals should be greatly facilitated, without having to first define crystallization drop boundaries as the protein or protein structures is all that shows up. Fluorescence intensity is a faster search parameter, whether visually or by automated methods, than looking for crystalline features. Preliminary tests, using model proteins, indicates that we can use high fluorescence intensity regions, in the absence of clear crystalline features or "hits", as a means for determining potential lead conditions. A working hypothesis is that more rapid amorphous precipitation kinetics may overwhelm and trap more slowly formed ordered assemblies, which subsequently show up as regions of brighter fluorescence intensity. Experiments are now being carried out to test this approach using a wider range, of proteins. The trace fluorescently labeled crystals will also

  5. 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.

  6. 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.

  7. 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.

  8. 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

  9. 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.

  10. 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)

  11. 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…

  12. 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.

  13. 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)

  14. Detection of Membrane Protein Two-Dimensional Crystals in Living Cells

    PubMed Central

    Gualtieri, E.J.; Guo, F.; Kissick, D.J.; Jose, J.; Kuhn, R.J.; Jiang, W.; Simpson, G.J.

    2011-01-01

    It is notoriously difficult to grow membrane protein crystals and solve membrane protein structures. Improved detection and screening of membrane protein crystals are needed. We have shown here that second-order nonlinear optical imaging of chiral crystals based on second harmonic generation can provide sensitive and selective detection of two-dimensional protein crystalline arrays with sufficiently low background to enable crystal detection within the membranes of live cells. The method was validated using bacteriorhodopsin crystals generated in live Halobacterium halobium bacteria and confirmed by electron microscopy from the isolated crystals. Additional studies of alphavirus glycoproteins indicated the presence of localized crystalline domains associated with virus budding from mammalian cells. These results suggest that in vivo crystallization may provide a means for expediting membrane protein structure determination for proteins exhibiting propensities for two-dimensional crystal formation. PMID:21190673

  15. 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.

  16. Direct preparation of spherically agglomerated salicylic acid crystals during crystallization.

    PubMed

    Kawashima, Y; Okumura, M; Takenaka, H; Kojima, A

    1984-11-01

    Needle-like salicylic acid crystals were transformed into a spherically shaped dense form during crystallization by the spherical crystallization technique. Agitation of a mixture of ethanol-water-chloroform containing salicylic acid yielded spherically agglomerated salicylic acid crystals. The crystallinity of the agglomerated salicylic acid the amount of ethanol in the solvent mixture was decreased. The wettability of the agglomerated crystals increased when the amount of ethanol in the solvent mixture was decreased, and this enhanced the dissolution rate of the crystals. The remarkable improvements in the flow and packing of the agglomerated crystals enabled the direct compression of the crystals.

  17. 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.

  18. 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

  19. 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

  20. 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

  1. 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.

  2. Groundwater Model Validation

    SciTech Connect

    Ahmed E. Hassan

    2006-01-24

    Models have an inherent uncertainty. The difficulty in fully characterizing the subsurface environment makes uncertainty an integral component of groundwater flow and transport models, which dictates the need for continuous monitoring and improvement. Building and sustaining confidence in closure decisions and monitoring networks based on models of subsurface conditions require developing confidence in the models through an iterative process. The definition of model validation is postulated as a confidence building and long-term iterative process (Hassan, 2004a). Model validation should be viewed as a process not an end result. Following Hassan (2004b), an approach is proposed for the validation process of stochastic groundwater models. The approach is briefly summarized herein and detailed analyses of acceptance criteria for stochastic realizations and of using validation data to reduce input parameter uncertainty are presented and applied to two case studies. During the validation process for stochastic models, a question arises as to the sufficiency of the number of acceptable model realizations (in terms of conformity with validation data). Using a hierarchical approach to make this determination is proposed. This approach is based on computing five measures or metrics and following a decision tree to determine if a sufficient number of realizations attain satisfactory scores regarding how they represent the field data used for calibration (old) and used for validation (new). The first two of these measures are applied to hypothetical scenarios using the first case study and assuming field data consistent with the model or significantly different from the model results. In both cases it is shown how the two measures would lead to the appropriate decision about the model performance. Standard statistical tests are used to evaluate these measures with the results indicating they are appropriate measures for evaluating model realizations. The use of validation

  3. 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.

  4. Experimental studies of polarization properties of supercontinua generated in a birefringent photonic crystal fiber.

    PubMed

    Zhu, Zhaoming; Brown, Thomas

    2004-03-01

    Besides coherence degradations, supercontinuum spectra generated in birefringent photonic crystal fibers also suffer from polarization fluctuations because of noise in the input pump pulse. This paper describes an experimental study of polarization properties of supercontinuum spectra generated in a birefringent photonic crystal fiber, validating previous numerical simulations. PMID:19474887

  5. Glycine lithium nitrate crystals

    NASA Astrophysics Data System (ADS)

    González-Valenzuela, R.; Hernández-Paredes, J.; Medrano-Pesqueira, T.; Esparza-Ponce, H. E.; Jesús-Castillo, S.; Rodriguez-Mijangos, R.; Terpugov, V. S.; Alvarez-Ramos, M. E.; Duarte-Möller, A.

    Crystals of glycine lithium nitrate with non-linear optical properties have been grown in a solution by slow evaporation at room temperature. The crystal shows a good thermal stability from room temperature to 175 °C where the crystal begins to degrade. This property is desirable for future technological applications. Also, a good performance on the second harmonic generation was found, characterizing the emitted dominant wavelength by a customized indirect procedure using luminance and chromaticity measured data based on the CIE-1931 standard. Additionally, the 532 nm signal was detected by using a variant to the Kurtz and Perry method.

  6. Biomolecular membrane protein crystallization

    NASA Astrophysics Data System (ADS)

    Reddy Bolla, Jani; Su, Chih-Chia; Yu, Edward W.

    2012-07-01

    Integral membrane proteins comprise approximately 30% of the sequenced genomes, and there is an immediate need for their high-resolution structural information. Currently, the most reliable approach to obtain these structures is X-ray crystallography. However, obtaining crystals of membrane proteins that diffract to high resolution appears to be quite challenging, and remains a major obstacle in structural determination. This brief review summarizes a variety of methodologies for use in crystallizing these membrane proteins. Hopefully, by introducing the available methods, techniques, and providing a general understanding of membrane proteins, a rational decision can be made about now to crystallize these complex materials.

  7. Hypersonic phononic crystals.

    PubMed

    Gorishnyy, T; Ullal, C K; Maldovan, M; Fytas, G; Thomas, E L

    2005-03-25

    In this Letter we propose the use of hypersonic phononic crystals to control the emission and propagation of high frequency phonons. We report the fabrication of high quality, single crystalline hypersonic crystals using interference lithography and show that direct measurement of their phononic band structure is possible with Brillouin light scattering. Numerical calculations are employed to explain the nature of the observed propagation modes. This work lays the foundation for experimental studies of hypersonic crystals and, more generally, phonon-dependent processes in nanostructures.

  8. Quantum Hall Liquid Crystals

    NASA Astrophysics Data System (ADS)

    Radzihovsky, Leo

    2003-03-01

    Liquid-crystals, defined as states of matter intermediate in their properties between fully disordered isotropic liquids and fully ordered crystals are ubiquitous in nature. Recent transport measurements on two-dimensional electron systems in moderate magnetic fields suggest the existence of a spontaneously orientationally-ordered, compressible liquid state. I will discuss electronic liquid-crystals interpretation of these experiments, focusing on a recently proposed quantum Hall nematic state that is predicted to exhibit a novel, highly anisotropic q^3 density-director mode and other interesting phenomenology.

  9. Raman scattering in crystals

    SciTech Connect

    Edwards, D.F.

    1988-09-30

    A tutorial presentation is given of Raman scattering in crystals. The physical concepts are emphasized rather than the detailed mathematical formalism. Starting with an introduction to the concepts of phonons and conservation laws, the effects of photon-phonon interactions are presented. This interaction concept is shown for a simple cubic crystal and is extended to a uniaxial crystal. The correlation table method is used for determining the number and symmetry of the Raman active modes. Finally, examples are given to illustrate the relative ease of using this group theoretical method and the predictions are compared with measured Raman spectra. 37 refs., 17 figs., 6 tabs.

  10. 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.

  11. DEWFALL validation experiment designs

    SciTech Connect

    Lowry, B.; Walsh, B.

    1989-09-30

    Three experiments are proposed as tests to validate the DEWFALL analysis model for the large vessel project. This document is a very brief record of the techniques and test designs that could be used for validation of the model. Processes of the model which require validation include: (1) vaporization and recondensation of the vessel wall material due to energy transfer from the source, (2) melt and refreeze of vessel wall material, and (3) condensation and solidification of the source material. A methodology was developed to analyze the maximum thickness of material melted and vaporized with given experimental configurations and initial energies. DEWFALL reference calculations are included in an appendix to the document. 2 refs., 3 figs., 3 tabs.

  12. Modelling, system identification, and control of an evaporative continuous crystallizer

    NASA Astrophysics Data System (ADS)

    Dewolf, Sjoerd

    Research on physical modeling, simulation, the derivation of state space models, suitable input and output variables for control of the crystal size distribution (CSD), and the assessment of experimentally validated models for the dynamics of crytallizers is presented. A 20 liter (L) and a 970 L crystallizer and the measurement system available for online CSD measurements of the 970 L crystallizer are discussed. A general dynamic model for evaporative and nonevaporative continuous crystallizers with fines removal, clear liquor advance and product classification is presented. The model includes nonisothermal operation, size dependent crystal growth rates, growth rate dispersion, and attrition. A simulation technique for the physical model, which was chosen for its close relation to the derivation of state space models and its capability to provide CSD information at fixed time intervals as required for digital control, is discussed. The derivation of linear state space models for the dynamics of crystallizers is investigated. Multivariable control of the 970 L crystallizer is investigated to obtain knowledge of input and output control variables. An experimental model for the 970 L crystallizer is assessed and the necessity for a system identification approach is explained.

  13. 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.

  14. Photonic crystal beam splitters.

    PubMed

    Chen, Chii-Chang; Chien, Hung-Da; Luan, Pi-Gang

    2004-11-20

    This work studies two-dimensional photonic crystal beam splitters with two input ports and two output ports. The beam splitter structure consists of two orthogonally crossed line defects and one point defect in square-lattice photonic crystals. The point defect is positioned at the intersection of the line defects to divide the input power into output ports. If the position and the size of the point defect are varied, the power of two output ports can be identical. The beam splitters can be used in photonic crystal Mach-Zehnder interferometers or switches. The simulation results show that a large bandwidth of the extinction ratio larger than 20 dB can be obtained while two beams are interfered in the beam splitters. This enables photonic crystal beam splitters to be used in fiber optic communication systems.

  15. 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. PMID:21867316

  16. 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.

  17. 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.

  18. 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)

  19. Crystal Field Handbook

    NASA Astrophysics Data System (ADS)

    Newman, D. J.; Ng, Betty

    2007-09-01

    List of contributors; Preface; Introduction; 1. Crystal field splitting mechanisms D. J. Newman and Betty Ng; 2. Empirical crystal fields D. J. Newman and Betty Ng; 3. Fitting crystal field parameters D. J. Newman and Betty Ng; 4. Lanthanide and actinide optical spectra G. K. Liu; 5. Superposition model D. J. Newman and Betty Ng; 6. Effects of electron correlation on crystal field splitting M. F. Reid and D. J. Newman; 7. Ground state splittings in S-state ions D. J. Newman and Betty Ng; 8. Invariants and moments Y. Y. Yeung; 9. Semiclassical model K. S. Chan; 10. Transition intensities M. F. Reid; Appendix 1. Point symmetry D. J. Newman and Betty Ng; Appendix 2. QBASIC programs D. J. Newman and Betty Ng; Appendix 3. Accessible program packages Y. Y. Yeung, M. F. Reid and D. J. Newman; Appendix 4. Computer package CST Cz. Rudowicz; Bibliography; Index.

  20. 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)

  1. Characterizing protein crystal nucleation

    NASA Astrophysics Data System (ADS)

    Akella, Sathish V.

    We developed an experimental microfluidic based technique to measure the nucleation rates and successfully applied the technique to measure nucleation rates of lysozyme crystals. The technique involves counting the number of samples which do not have crystals as a function of time. Under the assumption that nucleation is a Poisson process, the fraction of samples with no crystals decays exponentially with the decay constant proportional to nucleation rate and volume of the sample. Since nucleation is a random and rare event, one needs to perform measurements on large number of samples to obtain good statistics. Microfluidics offers the solution of producing large number of samples at minimal material consumption. Hence, we developed a microfluidic method and measured nucleation rates of lysozyme crystals in supersaturated protein drops, each with volume of ˜ 1 nL. Classical Nucleation Theory (CNT) describes the kinetics of nucleation and predicts the functional form of nucleation rate in terms of the thermodynamic quantities involved, such as supersaturation, temperature, etc. We analyzed the measured nucleation rates in the context of CNT and obtained the activation energy and the kinetic pre-factor characterizing the nucleation process. One conclusion is that heterogeneous nucleation dominates crystallization. We report preliminary studies on selective enhancement of nucleation in one of the crystal polymorprhs of lysozyme (spherulite) using amorphous mesoporous bioactive gel-glass te{naomi06, naomi08}, CaO.P 2O5.SiO2 (known as bio-glass) with 2-10 nm pore-size diameter distribution. The pores act as heterogeneous nucleation centers and claimed to enhance the nucleation rates by molecular confinement. The measured kinetic profiles of crystal fraction of spherulites indicate that the crystallization of spherulites may be proceeding via secondary nucleation pathways.

  2. 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.

  3. 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.

  4. 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…

  5. 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…

  6. Validity, not Dissemination

    NASA Astrophysics Data System (ADS)

    Mitra, Samindranath

    2015-03-01

    Science journals have been transformed by the internet. In particular, increasingly their role appears to be to validate research, not to disseminate it. How are journals, and the communities they interact with, adapting? In this context, are alternatives to peer review on the horizon? Are these challenges unique to physics journals, or also seen in other publication scenarios?

  7. 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.

  8. High-throughput crystallization screening.

    PubMed

    Skarina, Tatiana; Xu, Xiaohui; Evdokimova, Elena; Savchenko, Alexei

    2014-01-01

    Protein structure determination by X-ray crystallography is dependent on obtaining a single protein crystal suitable for diffraction data collection. Due to this requirement, protein crystallization represents a key step in protein structure determination. The conditions for protein crystallization have to be determined empirically for each protein, making this step also a bottleneck in the structure determination process. Typical protein crystallization practice involves parallel setup and monitoring of a considerable number of individual protein crystallization experiments (also called crystallization trials). In these trials the aliquots of purified protein are mixed with a range of solutions composed of a precipitating agent, buffer, and sometimes an additive that have been previously successful in prompting protein crystallization. The individual chemical conditions in which a particular protein shows signs of crystallization are used as a starting point for further crystallization experiments. The goal is optimizing the formation of individual protein crystals of sufficient size and quality to make them suitable for diffraction data collection. Thus the composition of the primary crystallization screen is critical for successful crystallization.Systematic analysis of crystallization experiments carried out on several hundred proteins as part of large-scale structural genomics efforts allowed the optimization of the protein crystallization protocol and identification of a minimal set of 96 crystallization solutions (the "TRAP" screen) that, in our experience, led to crystallization of the maximum number of proteins.

  9. Crystal growth of artificial snow

    NASA Technical Reports Server (NTRS)

    Kimura, S.; Oka, A.; Taki, M.; Kuwano, R.; Ono, H.; Nagura, R.; Narimatsu, Y.; Tanii, J.; Kamimiytat, Y.

    1984-01-01

    Snow crystals were grown onboard the space shuttle during STS-7 and STS-8 to facilitate the investigation of crystal growth under conditions of weightlessness. The experimental design and hardware are described. Space-grown snow crystals were polyhedrons looking like spheres, which were unlike snow crystals produced in experiments on Earth.

  10. Crystals stirred up: 1. Direct numerical simulations of crystal settling in nondilute magmatic suspensions

    NASA Astrophysics Data System (ADS)

    Suckale, Jenny; Sethian, James A.; Yu, Jiun-der; Elkins-Tanton, Linda T.

    2012-08-01

    This is the first paper in a two-part series examining the fluid dynamics of crystal settling and flotation in the lunar magma ocean. A key challenge in constraining solidification processes is determining the ability of individual crystals to decouple from vigorous thermal convection and settle out or float. The goal of this paper is to develop a computational methodology capable of capturing the complex solid-fluid interactions that determine settling and flotation. In the second paper, we use this computational approach to explore the conditions under which plagioclase feldspar would be able to buoyantly float and form the earliest crust on the Moon. The direct numerical method described in this paper relies on a fictitious domain approach and captures solid-body motion in 2D and 3D with little overhead beyond single fluid calculations. The two main innovations of our numerical implementation of a fictitious domain approach are an analytical quadrature scheme, which increases accuracy and reduces computational expense, and the derivation of a multibody collision scheme. Advantages of this approach over previous simulations of crystal-bearing magmatic suspensions include the following: (1) we fully resolve the two-way interaction between fluid and solid phases, implying that crystals are not only passively advected in an ambient flow field but are also actively driving flow, and (2) we resolve the flow around each individual crystal without assuming specific settling speeds or drag coefficients. We present several benchmark problems and convergence tests to validate our approach.

  11. Further study on different dopings into PbWO 4 single crystals to increase the scintillation light yield

    NASA Astrophysics Data System (ADS)

    Kobayashi, M.; Usuki, Y.; Ishii, M.; Itoh, M.; Nikl, M.

    2005-03-01

    Since we presented our preliminary result (Nucl. Instr. and Meth. A 486 (2002) 170) at SCINT2001, we have continued our efforts to increase the light yield (LY) of PbWO 4 scintillators by extending different dopings with an aim to find a possibility of using PbWO 4 successfully in Positron Emission Tomography (PET). Overall result obtained for single doping as well as double and tripple co-dopings are summarized, including decay characteristics and radiation hardness. The LY in non-doped PbWO 4 crystals with a size of 10×10×(20-30) mm 3 is 25-35 photolectrons/MeV (phe/MeV) corresponding to 3-4% of the LY in BGO, when measured with a bialkali photomultiplier during a gate of ˜1 μs. The maximum LY increased to 49 phe/MeV for single doping with Mo 6+, 80 phe/MeV for double co-doping of Mo 6++Sb 5+, and ˜85 phe/MeV for tripple co-doping of Mo 6++Cd 2++Sb 5+. The radiation hardness is larger than 10 5 Gy for each of the samples co-doped with Mo 6++Sb 5+ and Mo 6++Cd 2++Sb 5+, while it is much poorer in PWO:Mo 6+. In each of these co-doped samples, a medium-speed green emission in the microsecond range is created besides the fundamental fast (˜a few nanoseconds range) blue one, giving a peak at ˜500 nm in the radioluminescence spectrum similarly as in PWO:Mo 6+.

  12. The Quality and Validation of Structures from Structural Genomics

    PubMed Central

    Domagalski, Marcin J.; Zheng, Heping; Zimmerman, Matthew D.; Dauter, Zbigniew; Wlodawer, Alexander; Minor, Wladek

    2014-01-01

    Quality control of three-dimensional structures of macromolecules is a critical step to ensure the integrity of structural biology data, especially those produced by structural genomics centers. Whereas the Protein Data Bank (PDB) has proven to be a remarkable success overall, the inconsistent quality of structures reveals a lack of universal standards for structure/deposit validation. Here, we review the state-of-the-art methods used in macromolecular structure validation, focusing on validation of structures determined by X-ray crystallography. We describe some general protocols used in the rebuilding and re-refinement of problematic structural models. We also briefly discuss some frontier areas of structure validation, including refinement of protein–ligand complexes, automation of structure redetermination, and the use of NMR structures and computational models to solve X-ray crystal structures by molecular replacement. PMID:24203341

  13. Superluminal group velocity in a birefringent crystal

    SciTech Connect

    Halvorsen, Tore Gunnar; Leinaas, Jon Magne

    2008-02-15

    We examine the effect of superluminal signal propagation through a birefringent crystal, where the effect is not due to absorption or reflection, but to the filtration of a special polarization component. We first examine the effect by a stationary phase analysis, with results consistent with those of an earlier analysis of the system. We supplement this analysis by considering the transit of a Gaussian wave and find bounds for the validity of the stationary phase result. The propagation of the Gaussian wave is illustrated by figures.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. Validating MEDIQUAL Constructs

    NASA Astrophysics Data System (ADS)

    Lee, Sang-Gun; Min, Jae H.

    In this paper, we validate MEDIQUAL constructs through the different media users in help desk service. In previous research, only two end-users' constructs were used: assurance and responsiveness. In this paper, we extend MEDIQUAL constructs to include reliability, empathy, assurance, tangibles, and responsiveness, which are based on the SERVQUAL theory. The results suggest that: 1) five MEDIQUAL constructs are validated through the factor analysis. That is, importance of the constructs have relatively high correlations between measures of the same construct using different methods and low correlations between measures of the constructs that are expected to differ; and 2) five MEDIQUAL constructs are statistically significant on media users' satisfaction in help desk service by regression analysis.

  19. 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

  20. Crystallization of aluminum hydroxide in the aluminum-air battery: Literature review, crystallizer design, and results of integrated system tests

    SciTech Connect

    Maimoni, A.

    1988-03-31

    The literature on aluminum trihydroxide crystallization is reviewed and the implications of crystallization on the design and performance of the aluminum-air battery are illustrated. Results of research on hydrargillite crystallization under battery operating conditions at Alcoa Laboratories, Alcan Kingston Laboratories, and Lawrence Livermore National Laboratory are summarized and are applied to the design of an electrolyte management system using lamella settlers for clarification of the electrolyte and product separation. The design principles were validated in a series of experiments that, for the first time in the aluminum-air program, demonstrated continuous operation of an integrated system consisting of cells, crystallizer, and a product-removal system. 42 refs., 88 figs., 2 tabs.

  1. 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.

  2. Introduction to protein crystallization.

    PubMed

    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.

  3. 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

  4. 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.

  5. 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

  6. 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

  7. 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.

  8. Magnetically actuated liquid crystals.

    PubMed

    Wang, Mingsheng; He, Le; Zorba, Serkan; Yin, Yadong

    2014-07-01

    Ferrimagnetic inorganic nanorods have been used as building blocks to construct liquid crystals with optical properties that can be instantly and reversibly controlled by manipulating the nanorod orientation using considerably weak external magnetic fields (1 mT). Under an alternating magnetic field, they exhibit an optical switching frequency above 100 Hz, which is comparable to the performance of commercial liquid crystals based on electrical switching. By combining magnetic alignment and lithography processes, it is also possible to create patterns of different polarizations in a thin composite film and control over the transmittance of light in particular areas. Developing such magnetically responsive liquid crystals opens the door toward various applications, which may benefit from the instantaneous and contactless nature of magnetic manipulation.

  9. 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

  10. 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.

  11. 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

  12. 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.

  13. 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.

  14. Crystallization of atactic polystyrene

    NASA Astrophysics Data System (ADS)

    Chai, Yu; Forrest, James

    Atactic polystyrene is often used as an archetypical example of a material that has no crystalline ground state due to the lack of order in the arrangement of phenyl groups along the backbone. However, even in polymers with perfect Bernoullian (random) statistics, there is a probability that a given molecule will have larger blocks of a given stereoregularity. These blocks, in turn, could allow the formation of nanocrysalline domains. As a model system to investigate whether such blocks could lead to nanoscale crystallinity, we consider PS with Mw less than 1000 where there is a reasonable probability of a molecule having all meso or racemo diads . For the case of Mw 600, there are clear indications of crystal growth with two characteristic temperatures below which two different crystal species can nucleate and grow. Similar crystal growth and melting behavior is observed for Mw 1000.

  15. Computer-simulated X-ray three-beam pinhole topographs for spherical silicon crystals.

    PubMed

    Okitsu, Kouhei

    2011-11-01

    X-ray three-beam pinhole topograph images for spherical silicon crystals were computer-simulated based on the n-beam Takagi-Taupin (T-T) equation. They were compared with those for parallel-plate crystals. The procedure to integrate the n-beam T-T equation for a crystal with an arbitrary shape has been validated in a separate paper [Okitsu et al. (2011), Acta Cryst. A67, 550-556] from comparison between experimentally obtained and computer-simulated six-beam pinhole topographs for a channel-cut silicon crystal.

  16. Delivery validation of VMAT stereotactic ablative body radiotherapy at commissioning

    NASA Astrophysics Data System (ADS)

    Olding, T.; Alexander, K. M.; Jechel, C.; Nasr, A. T.; Joshi, C.

    2015-01-01

    Dosimetric validation of two volumetric modulated arc therapy (VMAT) stereotactic ablative radiotherapy (SABR) plans was completed as part of the commissioning process of this technique in our clinic. Static and dynamic ion chamber, EBT3 film and leuco crystal violet (LCV) micelle gel measurements were acquired using a motion phantom with appropriate inserts for each dosimeter. The results show good agreement between measured and calculated plan dose.

  17. Cirrus Crystal Terminal Velocities.

    NASA Astrophysics Data System (ADS)

    Heymsfield, Andrew J.; Iaquinta, Jean

    2000-04-01

    Cirrus crystal terminal velocities are of primary importance in determining the rate of transport of condensate from upper- to middle-tropospheric levels and profoundly influence the earth's radiation balance through their effect on the rate of buildup or decay of cirrus clouds. In this study, laboratory and field-based cirrus crystal drag coefficient data, as well as analytical descriptions of cirrus crystal shapes, are used to derive more physically based expressions for the velocities of cirrus crystals than have been available in the past.Polycrystals-often bullet rosettes-are shown to be the dominant crystal types in synoptically generated cirrus, with columns present in varying but relatively large percentages, depending on the cloud. The two critical parameters needed to calculate terminal velocity are the drag coefficient and the ratio of mass to cross-sectional area normal to their fall direction. Using measurements and calculations, it is shown that drag coefficients from theory and laboratory studies are applicable to crystals of the types found in cirrus. The ratio of the mass to area, which is shown to be relatively independent of the number of bullets in the rosette, is derived from an analytic model that represents bullet rosettes containing one to eight bullets in 19 primary geometric configurations. The ratio is also derived for columns. Using this information, a general set of equations is developed to calculate the terminal velocities and masses in terms of the aspect ratio (width divided by length), ice density, and rosette maximum dimension. Simple expressions for terminal velocity and mass as a function of bullet rosette maximum dimension are developed by incorporating new information on bullet aspect ratios.The general terminal velocity and mass relations are then applied to a case from the First International Satellite Cloud Climatology Project (ISCCP) Research Experiment (FIRE) 2, when size spectra from a balloon-borne ice crystal

  18. 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.

  19. 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.

  20. 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)

  1. Semiconductor nanorod liquid crystals

    SciTech Connect

    Li, Liang-shi; Walda, Joost; Manna, Liberato; Alivisatos, A. Paul

    2002-01-28

    Rodlike molecules form liquid crystalline phases with orientational order and positional disorder. The great majority of materials in which liquid crystalline phases have been observed are comprised of organic molecules or polymers, even though there has been continuing and growing interest in inorganic liquid crystals. Recent advances in the control of the sizes and shapes of inorganic nanocrystals allow for the formation of a broad class of new inorganic liquid crystals. Here we show the formation of liquid crystalline phases of CdSe semiconductor nanorods. These new liquid crystalline phases may have great importance for both application and fundamental study.

  2. Crystallization seeds favour crystallization only during initial growth

    PubMed Central

    Allahyarov, E.; Sandomirski, K.; Egelhaaf, S.U.; Löwen, H.

    2015-01-01

    Crystallization represents the prime example of a disorder–order transition. In realistic situations, however, container walls and impurities are frequently present and hence crystallization is heterogeneously seeded. Rarely the seeds are perfectly compatible with the thermodynamically favoured crystal structure and thus induce elastic distortions, which impede further crystal growth. Here we use a colloidal model system, which not only allows us to quantitatively control the induced distortions but also to visualize and follow heterogeneous crystallization with single-particle resolution. We determine the sequence of intermediate structures by confocal microscopy and computer simulations, and develop a theoretical model that describes our findings. The crystallite first grows on the seed but then, on reaching a critical size, detaches from the seed. The detached and relaxed crystallite continues to grow, except close to the seed, which now prevents crystallization. Hence, crystallization seeds facilitate crystallization only during initial growth and then act as impurities. PMID:25975451

  3. 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.

  4. 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.

  5. 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.

  6. Advances in understanding damage by salt crystallization.

    PubMed

    Espinosa-Marzal, Rosa M; Scherer, George W

    2010-06-15

    The single most important cause of the deterioration of monuments in the Mediterranean basin, and elsewhere around the world, is the crystallization of salt within the pores of the stone. Considerable advances have been made in recent years in elucidating the fundamental mechanisms responsible for salt damage. As a result, new methods of treatment are being proposed that offer the possibility of attacking the cause of the problem, rather than simply treating the symptoms. In this Account, we review the thermodynamics and kinetics of crystallization, then examine how a range of technological innovations have been applied experimentally to further the current understanding of in-pore crystallization. We close with a discussion of how computer modeling now provides particularly valuable insight, including quantitative estimates of both the interaction forces between the mineral and the crystal and the stresses induced in the material. Analyzing the kinetics and thermodynamics of crystal growth within the pores of a stone requires sensitive tools used in combination. For example, calorimetry quantifies the amount of salt that precipitates in the pores of a stone during cooling, and dilatometric measurements on a companion sample reveal the stress exerted by the salt. Synchrotron X-rays can penetrate the stone and identify the metastable phases that often appear in the first stages of crystallization. Atomic force microscopy and environmental scanning electron microscopy permit study of the nanometric liquid film that typically lies between salt and stone; this film controls the magnitude of the pressure exerted and the kinetics of relaxation of the stress. These experimental advances provide validation for increasingly advanced simulations, using continuum models of reactive transport on a macroscopic scale and molecular dynamics on the atomic scale. Because of the fundamental understanding of the damage mechanisms that is beginning to emerge, it is possible to devise

  7. Validating Measures of Teacher Stress.

    ERIC Educational Resources Information Center

    Pettegrew, Loyd S.; Wolf, Glenda E.

    1982-01-01

    A validation study in the development of empirical measures of teacher stress is presented. Role-related, task-based, and environmental stress measures demonstrated internal consistency and provided reliable and valid multivariate assessment of teacher stress. (PN)

  8. Bridgman crystal growth

    NASA Technical Reports Server (NTRS)

    Carlson, Frederick

    1990-01-01

    The objective of this theoretical research effort was to improve the understanding of the growth of Pb(x)Sn(1-x)Te and especially how crystal quality could be improved utilizing the microgravity environment of space. All theoretical growths are done using the vertical Bridgman method. It is believed that improved single crystal yields can be achieved by systematically identifying and studying system parameters both theoretically and experimentally. A computational model was developed to study and eventually optimize the growth process. The model is primarily concerned with the prediction of the thermal field, although mass transfer in the melt and the state of stress in the crystal were of considerable interest. The evolution is presented of the computer simulation and some of the important results obtained. Diffusion controlled growth was first studied since it represented a relatively simple, but nontheless realistic situation. In fact, results from this analysis prompted a study of the triple junction region where the melt, crystal, and ampoule wall meet. Since microgravity applications were sought because of the low level of fluid movement, the effect of gravitational field strength on the thermal and concentration field was also of interest. A study of the strength of coriolis acceleration on the growth process during space flight was deemed necessary since it would surely produce asymmetries in the flow field if strong enough. Finally, thermosolutal convection in a steady microgravity field for thermally stable conditions and both stable and unstable solutal conditions was simulated.

  9. 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.

  10. 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.

  11. 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…

  12. Computer-assisted Crystallization.

    ERIC Educational Resources Information Center

    Semeister, Joseph J., Jr.; Dowden, Edward

    1989-01-01

    To avoid a tedious task for recording temperature, a computer was used for calculating the heat of crystallization for the compound sodium thiosulfate. Described are the computer-interfacing procedures. Provides pictures of laboratory equipment and typical graphs from experiments. (YP)

  13. Single crystals of inulin.

    PubMed

    André, I; Putaux, J L; Chanzy, H; Taravel, F R; Timmermans, J W; de Wit, D

    1996-04-01

    Lamellar crystals of inulin were grown by crystallizing sharp fractions of low molecular weight inulin from dilute aqueous ethanol solutions. The crystals were analyzed using three-dimensional electron diffraction and X-ray powder diagrams. Two crystalline polymorphs were observed, depending on the hydration conditions: a hydrated form which indexed on an orthorhombic unit cell, with space group P2(1)2(1)2(1) and with cell dimensions of a = 1.670 nm, b = 0.980 nm and c (chain axis) = 1.47 nm, together with a pseudo-hexagonal semi-hydrated form with unit cell parameters a = 1.670 nm, b = 0.965 nm and c (chain axis) = 1.44 nm. These parameters, together with the density data, indicate that inulin crystallizes along a pseudo-hexagonal six-fold symmetry with an advance per monomer of 0.24 nm. The difference between the hydrated and the semi-hydrated unit cells does not seem to correspond to any change in the conformation of inulin, but rather to a variation in water content.

  14. 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...

  15. Copolymer Crystallization: Approaching Equilibrium

    NASA Astrophysics Data System (ADS)

    Crist, Buckley; Finerman, Terry

    2002-03-01

    Random ethylene-butene copolymers of uniform chemical composition and degree of polymerization are crystallized by evaporation of thin films (1 μ m - 5 μ m) from solution. Macroscopic films ( 100 μm) formed by sequential layer deposition are characterized by density, calorimetry and X-ray techniques. Most notable is the density, which in some cases implies a crystalline fraction nearly 90% of the equilibrium value calculated from Flory theory. Melting temperature of these solution deposited layers is increased by as much as 8 ^oC over Tm for the same polymer crystallized from the melt. Small-angle X-ray scattering indicates that the amorphous layer thickness is strongly reduced by this layered crystallization process. X-ray diffraction shows a pronounced orientation of chain axes and lamellar normals parallel to the normal of the macroscopic film. It is clear that solvent enhances chain mobility, permitting proper sequences to aggregate and crystallize in a manner that is never achieved in the melt.

  16. 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.

  17. Protein crystal growth in space

    NASA Technical Reports Server (NTRS)

    Delucas, Lawrence J.; Bugg, Charles E.

    1991-01-01

    Studies of protein crystal growth in the microgravity environment in space are described with special attention given to the crystal growth facilities and the techniques used in Space Shuttle experiments. The properties of large space-grown crystals of gamma interferon, elastase, lathyros ochrus lectin I, and few other proteins grown on various STS flights are described. A comparison of the microgravity-grown crystals with the bast earth-grown crystals demonstrated that the space-grown crystals are more highly ordered at the molecular level than their earth-grown counterparts. When crystallization conditions were optimized, the microgravity-grown protein crystals were larger, displayed more uniform morphologies, and yielded diffraction data to significantly higher resolution than their earth-grown counterparts.

  18. Controlling Chirality of Entropic Crystals

    NASA Astrophysics Data System (ADS)

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

    2015-10-01

    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.

  19. Macromolecular crystal growth in microgravity

    NASA Astrophysics Data System (ADS)

    McPherson, Alexander

    1996-03-01

    Two T=1 and one T=3 plant viruses, along with a protein were crystallized in microgravity during the International Microgravity Laboratory-2 (IML-2) mission in July of 1994 (Koszelak, et al. 1995). The method employed was liquid-liquid diffusion in the European Space Agency's Advanced Protein Crystallization Facility (APCF). Distinctive alterations in the habits of Turnip Yellow Mosaic Virus (TYMV) crystals and hexagonal canavalin crystals were observed. Crystals of cubic Satellite Tobacco Mosaic Virus (STMV) more than thirty times the volume of crystals grown in the laboratory were produced in microgravity. X-ray diffraction analysis demonstrated that both crystal forms of canavalin and the cubic STMV crystals diffracted to significantly higher resolution and had superior diffraction properties as judged by relative Wilson plots.

  20. Protein Crystals of Raf Kinase

    NASA Technical Reports Server (NTRS)

    1995-01-01

    This image shows crystals of the protein raf kinase grown on Earth (photo a) and on USML-2 (photo b). The space-grown crystals are an order of magnitude larger. Principal Investigator: Dan Carter of New Century Pharmaceuticals

  1. Controlling Chirality of Entropic Crystals.

    PubMed

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

    2015-10-01

    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. PMID:26550757

  2. Volume magnetic domain mirroring in magnetic shape memory crystals

    NASA Astrophysics Data System (ADS)

    Lai, Yiu-Wai; Schäfer, Rudolf; Schultz, Ludwig; McCord, Jeffrey

    2010-01-01

    From the magnetic domain patterns at adjacent crystal surfaces of NiMnGa shape memory crystals the internal domain configurations across a hidden twin-boundary are derived. The results proof the existence of domains extending from the sample surfaces into the nonvisible sample volume. Moreover, the structural twin boundary inside the material acts as a mirror for the basic domains. The analysis validates the relevance of surface magnetic response analysis for the understanding of the magnetoelastic behavior of magnetic shape memory alloys and is essential for the interpretation of magnetic domain images obtained from other surface-restricted observation techniques.

  3. 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. PMID:27617640

  4. 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.

  5. Rater Cognition: Implications for Validity

    ERIC Educational Resources Information Center

    Bejar, Issac I.

    2012-01-01

    The scoring process is critical in the validation of tests that rely on constructed responses. Documenting that readers carry out the scoring in ways consistent with the construct and measurement goals is an important aspect of score validity. In this article, rater cognition is approached as a source of support for a validity argument for scores…

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. Surface properties of HMX crystal

    NASA Technical Reports Server (NTRS)

    Yee, R. Y.; Adicoff, A.; Dibble, E. J.

    1980-01-01

    The surface properties of Beta-HMX crystals were studied. The surface energies of three principal crystal faces were obtained by measuring contact angles with several reference liquids. The surface energies and polarity of the three crystal faces are found to be different.

  11. 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.

  12. Liquid crystal orientation control in photonic liquid crystal fibers

    NASA Astrophysics Data System (ADS)

    Chychlowski, M. S.; Nowinowski-Kruszelnicki, E.; Woliński, T. R.

    2011-05-01

    Similarly to liquid crystal displays technology in photonic liquid crystal fibers (PLCFs) a molecular orientation control is a crucial issue that influences proper operation of PLCF-based devices. The paper presents two distinct configurations: planar and radial escaped orientation of the LC molecules inside capillaries as well as methods of their application to photonic liquid crystal fibers. Possibilities of LC orientation control influence both: attenuation and transmitting spectra of the PLCF The orienting method is based on creation of an additional orienting layer on the inner surface of the capillary or air hole of the photonic liquid crystal fiber. Aligning materials used in the experiment are commercially available polyimides SE1211 and SE130 which induce liquid crystal homeotropic and planar anchoring conditions. The orienting layer increase an order parameter of the liquid crystal improving propagation properties and stability of photonic liquid crystal fiber-based devices.

  13. 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.

  14. 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.

  15. 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.

  16. Validation of sterilizing grade filtration.

    PubMed

    Jornitz, M W; Meltzer, T H

    2003-01-01

    Validation consideration of sterilizing grade filters, namely 0.2 micron, changed when FDA voiced concerns about the validity of Bacterial Challenge tests performed in the past. Such validation exercises are nowadays considered to be filter qualification. Filter validation requires more thorough analysis, especially Bacterial Challenge testing with the actual drug product under process conditions. To do so, viability testing is a necessity to determine the Bacterial Challenge test methodology. Additionally to these two compulsory tests, other evaluations like extractable, adsorption and chemical compatibility tests should be considered. PDA Technical Report # 26, Sterilizing Filtration of Liquids, describes all parameters and aspects required for the comprehensive validation of filters. The report is a most helpful tool for validation of liquid filters used in the biopharmaceutical industry. It sets the cornerstones of validation requirements and other filtration considerations. PMID:14620854

  17. 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

  18. 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).

  19. 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.

  20. 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.

  1. Unprecedented crystal dynamics: reversible cascades of single-crystal-to-single-crystal transformations.

    PubMed

    Lv, Gao-Chao; Wang, Peng; Liu, Qing; Fan, Jian; Chen, Kai; Sun, Wei-Yin

    2012-10-21

    A series of Cu(II) complexes showed unprecedented reversible cascades of single-crystal-to-single-crystal (SCSC) transformations, and more interestingly, very rapid crystal dynamic processes were observed in this system via the substitution of coordinating components without loss of single crystallinity.

  2. 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.

  3. EDITORIAL: Photonic Crystal Devices

    NASA Astrophysics Data System (ADS)

    Bhattacharya, Pallab K.

    2007-05-01

    The engineering of electromagnetic modes at optical frequencies in artificial dielectric structures with periodic and random variation of the refractive index, enabling control of the radiative properties of the materials and photon localization, was first proposed independently by Yablonovitch and John in 1987. It is possible to control the flow of light in the periodic dielectric structures, known as photonic crystals (PC). As light waves scatter within the photonic crystal, destructive interference cancels out light of certain wavelengths, thereby forming a photonic bandgap, similar to the energy bandgap for electron waves in a semiconductor. Photons whose energies lie within the gap cannot propagate through the periodic structure. This property can be used to make a low-loss cavity. If a point defect, such as one or more missing periods, is introduced into the periodic structure a region is obtained within which the otherwise forbidden wavelengths can be locally trapped. This property can be used to realize photonic microcavities. Similarly, a line of defects can serve as a waveguide. While the realization of three-dimensional (3D) photonic crystals received considerable attention initially, planar two-dimensional (2D) structures are currently favoured because of their relative ease of fabrication. 2D photonic crystal structures provide most of the functionality of 3D structures. These attributes have generated worldwide research and development of sub-μm and μm size active and passive photonic devices such as single-mode and non- classical light sources, guided wave devices, resonant cavity detection, and components for optical communication. More recently, photonic crystal guided wave devices are being investigated for application in microfludic and biochemical sensing. Photonic crystal devices have been realized with bulk, quantum well and quantum dot active regions. The Cluster of articles in this issue of Journal of Physics D: Applied Physics provides a

  4. 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.

  5. Graphite polyhedral crystals.

    PubMed

    Gogotsi, Y; Libera, J A; Kalashnikov, N; Yoshimura, M

    2000-10-13

    Polyhedral nano- and microstructures with shapes of faceted needles, rods, rings, barrels, and double-tipped pyramids, which we call graphite polyhedral crystals (GPCs), have been discovered. They were found in pores of glassy carbon. They have nanotube cores and graphite faces, and they can exhibit unusual sevenfold, ninefold, or more complex axial symmetry. Although some are giant radially extended nanotubes, Raman spectroscopy and transmission electron microscopy suggest GPCs have a degree of perfection higher than in multiwall nanotubes of similar size. The crystals are up to 1 micrometer in cross section and 5 micrometers in length, and they can probably be grown in much larger sizes. Preliminary results suggest a high electrical conductivity, strength, and chemical stability of GPC.

  6. 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.

  7. Twisted aspirin crystals.

    PubMed

    Cui, Xiaoyan; Rohl, Andrew L; Shtukenberg, Alexander; Kahr, Bart

    2013-03-01

    Banded spherulites of aspirin have been crystallized from the melt in the presence of salicylic acid either generated from aspirin decomposition or added deliberately (2.6-35.9 mol %). Scanning electron microscopy, X-ray diffraction analysis, and optical polarimetry show that the spherulites are composed of helicoidal crystallites twisted along the <010> growth directions. Mueller matrix imaging reveals radial oscillations in not only linear birefringence, but also circular birefringence, whose origin is explained through slight (∼1.3°) but systematic splaying of individual lamellae in the film. Strain associated with the replacement of aspirin molecules by salicylic acid molecules in the crystal structure is computed to be large enough to work as the driving force for the twisting of crystallites. PMID:23425247

  8. Crystal chemistry and real structure of crystals

    NASA Astrophysics Data System (ADS)

    Bartl, H.; Bats, J. W.; Dyck, W.; Fuess, H.; Gregory, A.; Joswig, W.; Lottermoser, W.; Koerfer, M.; Mueller, R.; Schweiss, B. P.

    1984-03-01

    Elastic and inelastic scattering, X-ray diffraction and spectroscopy were combined to obtain a comprehensive picture of the properties of crystals. The electron density distribution allows one to verify the models of the theoretical chemistry. Systematic investigations of chemically similar anions (ClO3 and ClO4; S2O3, SO3 and SO4) show differences in bonding and reaction capability. The X-ray-neutron method applied to these anions shows maxima between 0.2 and 0.4 eXA to the power-3 in the bondings of the unbound electrons on S and D. For the SO3-group good agreement is found with theoretical calculations. The effect of the Mg (two times ionized) cation on the density is demonstrated on the water molecules of MgS2O3.6H2O and MgSO3.6H2O. Magnetic structure and magnetization density were investigated on CO3V2O8, Fe2SiO4 and Mn2SiO4 with polarized neutrons. The differences in magnetic moments of both cation states is also demonstrated for Fe2SiO4 with complementary Mossbauer measurements. Inelastic time of flight experiments allow predictions concerning the motion of the NH3-group in aniliniumbromide and of the water molecule in natural zeolites. The theoretical model to calculate the photon dispersion on CaSO4 shows good agreement with the measured dispersion curves.

  9. Path to protein crystallization

    SciTech Connect

    2010-01-01

    Growth of two-dimensional S-layer crystals on supported lipid bilayers observed in solution using in situ atomic force microscopy. This movie shows proteins sticking onto the supported lipid bilayer, forming a mobile phase that condenses into amorphous clusters, and undergoing a phase transition to crystalline clusters composed of 2 to 15 tetramers. These initial clusters then enter a growth phase in which new tetramers form exclusively at unoccupied lattice sites along the cluster edges.

  10. 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.

  11. Protein Crystal Isocitrate Lyase

    NASA Technical Reports Server (NTRS)

    1998-01-01

    The comparison of protein crystal, Isocitrate Lyase earth-grown (left) and space-grown (right). This is a target enzyme for fungicides. A better understanding of this enzyme should lead to the discovery of more potent fungicides to treat serious crop diseases such as rice blast; it regulates the flow of metabolic intermediates required for cell growth. Principal Investigator is Larry DeLucas.

  12. Photonic crystal optical memory

    NASA Astrophysics Data System (ADS)

    Lima, A. Wirth; Sombra, A. S. B.

    2011-06-01

    After several decades pushing the technology and the development of the world, the electronics is giving space for technologies that use light. We propose and analyze an optical memory embedded in a nonlinear photonic crystal (PhC), whose system of writing and reading data is controlled by an external command signal. This optical memory is based on optical directional couplers connected to a shared optical ring. Such a device can work over the C-Band of ITU (International Telecommunication Union).

  13. 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.

  14. 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.

  15. 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.

  16. Crystallization of undercooled liquid fenofibrate.

    PubMed

    Amstad, Esther; Spaepen, Frans; Weitz, David A

    2015-11-28

    Formulation of hydrophobic drugs as amorphous materials is highly advantageous as this increases their solubility in water and therefore their bioavailability. However, many drugs have a high propensity to crystallize during production and storage, limiting the usefulness of amorphous drugs. We study the crystallization of undercooled liquid fenofibrate, a model hydrophobic drug. Nucleation is the rate-limiting step; once seeded with a fenofibrate crystal, the crystal rapidly grows by consuming the undercooled liquid fenofibrate. Crystal growth is limited by the incorporation of molecules into its surface. As nucleation and growth both entail incorporation of molecules into the surface, this process likely also limits the formation of nuclei and thus the crystallization of undercooled liquid fenofibrate, contributing to the good stability of undercooled liquid fenofibrate against crystallization.

  17. Chemical composition, crystal structure, and their relationships with the intrinsic properties of spinel-type crystals based on bond valences.

    PubMed

    Liu, Xiao; Wang, Hao; Lavina, Barbara; Tu, Bingtian; Wang, Weimin; Fu, Zhengyi

    2014-06-16

    Spinel-type crystals may possess complex and versatile chemical composition and crystal structure, which leads to difficulty in constructing relationships among the chemical composition, crystal structure, and intrinsic properties. In this work, we develop new empirical methods based on bond valences to estimate the intrinsic properties, namely, compressibility and thermal expansion of complex spinel-type crystals. The composition-weighted average of bond force constants in tetrahedral and octahedral coordination polyhedra is derived as a function of the composition-weighted average of bond valences, which can be calculated according to the experimental chemical composition and crystal structural parameters. We discuss the coupled effects of tetrahedral and octahedral frameworks on the aforementioned intrinsic properties. The bulk modulus could be quantitatively calculated from the composition-weighted average of bond force constants in tetrahedral and octahedral coordination polyhedra. In contrast, a quantitative estimation of the thermal expansion coefficient could be obtained from the composition-weighted average of bond force constants in octahedral coordination polyhedra. These empirical methods have been validated by the results obtained for a new complex quaternary spinel-type oxynitride Mg0.268Al2.577O3.733N0.267 as well as MgAl2O4 and Al2.85O3.45N0.55 from the literature. Further, these empirical methods have the potential to be extensively applied in other types of complex crystals.

  18. Gelled Lyotropic Liquid Crystals.

    PubMed

    Xu, Yang; Laupheimer, Michaela; Preisig, Natalie; Sottmann, Thomas; Schmidt, Claudia; Stubenrauch, Cosima

    2015-08-11

    In our previous work we were able to prove that gelled bicontinuous microemulsions are a novel type of orthogonal self-assembled system. The study at hand aims at complementing our previous work by answering the question of whether gelled lyotropic liquid crystals are also orthogonal self-assembled systems. For this purpose we studied the same system, namely, water-n-decane/12-hydroxyoctadecanoic acid (12-HOA)-n-decyl tetraoxyethylene glycol ether (C10E4). The phase boundaries of the nongelled and the gelled lyotropic liquid crystals were determined visually and with (2)H NMR spectroscopy. Oscillating shear measurements revealed that the absolute values of the storage and loss moduli of the gelled liquid crystalline (LC) phases do not differ very much from those of the binary organogel. While both the phase behavior and the rheological properties of the LC phases support the hypothesis that gelled lyotropic liquid crystals are orthogonal self-assembled systems, freeze-fracture electron microscopy (FFEM) seems to indicate an influence of the gel network on the structure of the Lα phase and vice versa.

  19. 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

  20. Slotted photonic crystal sensors.

    PubMed

    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

  1. Quartz Crystal Microbalance Data

    SciTech Connect

    Baxamusa, S H

    2011-11-16

    We are using a Qpod quartz crystal microbalance (manufactured by Inficon) for use as a low-volume non-volatile residue analysis tool. Inficon has agreed to help troubleshoot some of our measurements and are requesting to view some sample data, which are attached. The basic principle of an NVR analysis is to evaporate a known volume of solvent, and weigh the remaining residue to determine the purity of the solvent. A typical NVR analysis uses 60 g of solvent and can measure residue with an accuracy of +/- 0.01 mg. The detection limit is thus (0.01 mg)/(60 g) = 0.17 ppm. We are attempting to use a quartz crystal microbalance (QCM) to make a similar measurement. The attached data show the response of the QCM as a 5-20 mg drop of solvent evaporates on its surface. The change in mass registered by the QCM after the drop evaporates is the residue that deposits on the crystal. On some measurements, the change in mass in less than zero, which is aphysical since the drop will leave behind {>=}0 mass of residue. The vendor, Inficon, has agreed to look at these data as a means to help troubleshoot the cause.

  2. 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.

  3. 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

  4. 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

  5. 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

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

    PubMed

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

    2016-02-15

    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.

  7. 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.

  8. 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.

  9. 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).

  10. Crystallization Optimum Solubility Screening: using crystallization results to identify the optimal buffer for protein crystal formation

    SciTech Connect

    Collins, Bernard; Stevens, Raymond C.; Page, Rebecca

    2005-12-01

    It is shown how protein crystallization results can be used to identify buffers that improve protein solubility and, in turn, crystallization success. An optimal solubility screen is described that uses the results of crystallization trials to identify buffers that improve protein solubility and, in turn, crystallization success. This screen is useful not only for standard crystallization experiments, but also can easily be implemented into any high-throughput structure-determination pipeline. As a proof of principle, the predicted novel-fold protein AF2059 from Archaeoglobus fulgidus, which was known to precipitate in most buffers and particularly during concentration experiments, was selected. Using the crystallization results of 192 independent crystallization trials, it was possible to identify a buffer containing 100 mM CHES pH 9.25 that significantly improves its solubility. After transferring AF2059 into this ‘optimum-solubility’ buffer, the protein was rescreened for crystal formation against these same 192 conditions. Instead of extensive precipitation, as observed initially, it was found that 24 separate conditions produced crystals and the exchange of AF2059 into CHES buffer significantly improved crystallization success. Fine-screen optimization of these conditions led to the production of a crystal suitable for high-resolution (2.2 Å) structure determination.

  11. 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.

  12. Crystal growth in salt efflorescence

    NASA Astrophysics Data System (ADS)

    Zehnder, Konrad; Arnold, Andreas

    1989-09-01

    Salt efflorescences strongly affect wall paintings and other monuments. The external factors governing the crystal habits and aggregate forms are studied phenomenologically in laboratory experiments. As salt contaminated materials dry, slats crystallize forming distinct sequences of crystal habits and aggregate forms on and underneath the surfaces. Four phases may be distinguished: (1) Large individual crystals with equilibrium forms grow immersed in a thick solution film; (2) granular crusts of small isometric crystals grow covered by a thin solution film; (3) fibrous crusts of columnar crystals grow from a coherent but thin solution film so that the crystals are in contact with solution only at their base; (4) whiskers grow from isolated spots of very thin solution films into the air. The main factor governing these morphologies is the humidity of the substrate. A porous material cracks while granular crystals (approaching their equilibrium forms) grow within the large pores. As the fissures widen, the habits pass into columnar crystals and then into whiskers. Because this succession corresponds to the crystallization sequence on the substrate surface it can be traced back to the same growth conditions.

  13. 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

  14. Observation of Parametric X-Rays Produced by 400-GeV/C Protons in Bent Crystals

    SciTech Connect

    Scandale, W.; Arduini, G.; Assmann, R.; Cerutti, F.; Gilardoni, S.; Christiansen, J.; Laface, E.; Losito, R.; Masi, A.; Metral, E.; Mirarchi, D.; Montesano, S.; Previtali, V.; Redaelli, S.; Valentino, G.; Schoofs, P.; Smirnov, G.; Tlustos, L.; Bagli, E.; Baricordi, S.; Dalpiaz, P.; /Ferrara U. /INFN, Ferrara /Ferrara U. /INFN, Ferrara /Ferrara U. /INFN, Ferrara /Ferrara U. /INFN, Ferrara /Frascati /Frascati /Frascati /INFN, Legnaro /INFN, Legnaro /INFN, Legnaro /INFN, Legnaro /INFN, Legnaro /INFN, Legnaro /INFN, Rome /INFN, Rome /INFN, Rome /INFN, Rome /INFN, Naples /Serpukhov, IHEP /Serpukhov, IHEP /Serpukhov, IHEP /Serpukhov, IHEP /Serpukhov, IHEP /Dubna, JINR /Dubna, JINR /St. Petersburg, INP /St. Petersburg, INP /St. Petersburg, INP /St. Petersburg, INP /Imperial Coll., London /Imperial Coll., London /Imperial Coll., London /Imperial Coll., London /Imperial Coll., London /Imperial Coll., London /Imperial Coll., London /Imperial Coll., London /Brookhaven /SLAC /SLAC /SLAC /IPTP, Dubna /Tomsk Polytechnic U. /Tomsk Polytechnic U.

    2012-05-07

    Spectral maxima of parametric X-ray radiation (PXR) produced by 400 GeV/c protons in bent silicon crystals aligned with the beam have been observed in an experiment at the H8 external beam of the CERN SPS. The total yield of PXR photons was about 10{sup -6} per proton. Agreement between calculations and the experimental data shows that the PXR kinematic theory is valid for bent crystals with sufficiently small curvature as used in the experiment. The intensity of PXR emitted from halo protons in a bent crystal used as a primary collimator in a circular accelerator may be considered as a possible tool to control its crystal structure, which is slowly damaged because of irradiation. The intensity distribution of PXR peaks depends on the crystal thickness intersected by the beam, which changes for different orientations of a crystal collimator. This dependence may be used to control crystal collimator alignment by analyzing PXR spectra produced by halo protons.

  15. 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.

  16. When Validity Testing Lacks Validity: Comment on Levine et al.

    ERIC Educational Resources Information Center

    Kim, Min-Sun; Raja, Narayan S.

    2003-01-01

    Addresses each of the three main areas of Levine et al.'s (see this issue, CS 764 297) validity testing: mean differences in self-construals between Asians and Westerners and within individuals; priming experiments; and factor analysis of self-construal scales. Suggests that Levine et al.'s conclusions on crucial aspects of validity are untenable.…

  17. A Historical Comparison of Validity Standards and Validity Practices.

    ERIC Educational Resources Information Center

    Jonson, Jessica L.; Plake, Barbara S.

    1998-01-01

    The relationship between the validity theory of the past 50 years and actual validity practices was studied by comparing published test standards with the practices of measurement professionals expressed in the "Mental Measurements Yearbook" test reviews. Results show a symbiotic relationship between theory and practice on the influence of…

  18. 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

  19. 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.

  20. 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.

  1. Dissipation by a crystallization process

    NASA Astrophysics Data System (ADS)

    Dorosz, Sven; Voigtmann, Thomas; Schilling, Tanja

    2016-01-01

    We discuss crystallization as a non-equilibrium process. In a system of hard spheres under compression at a constant rate, we quantify the amount of heat that is dissipated during the crystallization process. We interpret the dissipation as arising from the resistance of the system against phase transformation. An intrinsic compression rate is identified that separates a quasi-static regime from one of rapidly driven crystallization. In the latter regime the system crystallizes more easily, because new relaxation channels are opened, at the cost of forming a higher fraction of non-equilibrium crystal structures. We rationalize the change in the crystallization mechanism by analogy with shear thinning, in terms of a kinetic competition between near-equilibrium relaxation and external driving.

  2. Invisible defects in complex crystals

    SciTech Connect

    Longhi, Stefano Della Valle, Giuseppe

    2013-07-15

    We show that invisible localized defects, i.e. defects that cannot be detected by an outside observer, can be realized in a crystal with an engineered imaginary potential at the defect site. The invisible defects are synthesized by means of supersymmetric (Darboux) transformations of an ordinary crystal using band-edge wavefunctions to construct the superpotential. The complex crystal has an entire real-valued energy spectrum and Bragg scattering is not influenced by the defects. An example of complex crystal synthesis is presented for the Mathieu potential. -- Highlights: •We show the existence of invisible localized defects in complex crystals. •They turn out to be fully invisible to Bloch waves belonging to any lattice band. •An example of invisible defect is presented for a PT-symmetric Mathieu crystal.

  3. 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.

  4. Gradient equivalent crystal theory.

    PubMed

    Zypman, F R; Ferrante, J

    2006-07-01

    This paper presents an extension of the formalism of equivalent crystal theory (ECT) by introducing an electron density gradient term so that the total model density becomes a more accurate representation of the real local density. Specifically, we allow for the electron density around a lattice site to have directionality, in addition to an average value, as assumed in ECT. We propose that an atom senses its neighbouring density as a weighted sum-the weights given by the its own electronic probability. As a benchmark, the method is used to compute vacancy migration energy curves of iron. These energies are in good agreement with previously published results. PMID:21690822

  5. 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

  6. 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.

  7. Empathetic Validity in Practitioner Research

    ERIC Educational Resources Information Center

    Dadds, Marion

    2008-01-01

    This paper examines the concept of "empathetic validity," that is, the potential of practitioner research in its processes and outcomes to transform the emotional dispositions of people towards each other, such that greater empathy and regard are created. The paper argues that practitioner research that is high in empathetic validity contributes…

  8. 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.

  9. 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…

  10. 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)

  11. The Validity of Assessment Centers.

    ERIC Educational Resources Information Center

    Thornton, George C., III

    This paper summarizes a review of the recent literature in search of evidence for the validity of industrial assessment centers. The topic is divided into two parts: (1) the evidence regarding the validity of several of the individual assessment techniques that are used in industrial assessment centers; and (2) the evidence concerning the validity…

  12. Construct Validity and Achievement Assessment.

    ERIC Educational Resources Information Center

    Maguire, Thomas; And Others

    1994-01-01

    Criticizes an article by Messick (1989) that emphasizes consequential validity (the potential and actual social consequences of test score interpretation and use) as a component of construct validity. Shows the profitability of separating the construct-indicator link from the indicator-score link, and the greater importance of the former.…

  13. 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.

  14. Active and driven hydrodynamic crystals.

    PubMed

    Desreumaux, N; Florent, N; Lauga, E; Bartolo, D

    2012-08-01

    Motivated by the experimental ability to produce monodisperse particles in microfluidic devices, we study theoretically the hydrodynamic stability of driven and active crystals. We first recall the theoretical tools allowing to quantify the dynamics of elongated particles in a confined fluid. In this regime hydrodynamic interactions between particles arise from a superposition of potential dipolar singularities. We exploit this feature to derive the equations of motion for the particle positions and orientations. After showing that all five planar Bravais lattices are stationary solutions of the equations of motion, we consider separately the case where the particles are passively driven by an external force, and the situation where they are self-propelling. We first demonstrate that phonon modes propagate in driven crystals, which are always marginally stable. The spatial structures of the eigenmodes depend solely on the symmetries of the lattices, and on the orientation of the driving force. For active crystals, the stability of the particle positions and orientations depends not only on the symmetry of the crystals but also on the perturbation wavelengths and on the crystal density. Unlike unconfined fluids, the stability of active crystals is independent of the nature of the propulsion mechanism at the single-particle level. The square and rectangular lattices are found to be linearly unstable at short wavelengths provided the volume fraction of the crystals is high enough. Differently, hexagonal, oblique, and face-centered crystals are always unstable. Our work provides a theoretical basis for future experimental work on flowing microfluidic crystals. PMID:22864543

  15. Crystal engineering using functionalized adamantane.

    PubMed

    Garcia, J C; Assali, L V C; Machado, W V M; Justo, J F

    2010-08-11

    We performed a first-principles investigation on the structural, electronic and optical properties of crystals made of chemically functionalized adamantane molecules. Several molecular building blocks, formed by boron and nitrogen substitutional functionalizations, were considered to build zinc blende and wurtzite crystals, and the resulting structures presented large bulk moduli and cohesive energies, wide and direct bandgaps, and low dielectric constants (low-κ materials). Those properties provide stability for such structures up to room temperature, superior to those of typical molecular crystals. This indicates a possible road map for crystal engineering using functionalized diamondoids, with potential applications ranging from space filling between conducting wires in nanodevices to nano-electromechanical systems.

  16. Photonic crystal fibers in biophotonics

    NASA Astrophysics Data System (ADS)

    Tuchin, Valery V.; Skibina, Julia S.; Malinin, Anton V.

    2011-12-01

    We observed recent experimental results in area of photonic crystal fibers appliance. Possibility of creation of fiberbased broadband light sources for high resolution optical coherence tomography is discussed. Using of femtosecond pulse laser allows for generation of optical radiation with large spectral width in highly nonlinear solid core photonic crystal fibers. Concept of exploitation of hollow core photonic crystal fibers in optical sensing is demonstrated. The use of photonic crystal fibers as "smart cuvette" gives rise to efficiency of modern optical biomedical analysis methods.

  17. Crystal sensor for microscopy applications

    SciTech Connect

    Peng Zhiqiang; West, Paul

    2005-01-03

    We report a force sensor based on a quartz crystal that is used for measuring nanoscale topographic images. The crystal is a length-extensional mode oscillator with a resonant frequency of about 650 kHz. Compared to 33 kHz tuning forks, such crystal sensors have a much higher resonance frequency, which allows for high force sensitivity and a fast response time. The crystal sensor is operated in the shear-force mode, with the probes vibrating parallel to the sample surface. The tip-sample interaction during operation is estimated to be less than 300 pN.

  18. Aluminum-air battery crystallizer

    SciTech Connect

    Maimoni, A.

    1987-01-23

    A prototype crystallizer system for the aluminum-air battery operated reliably through simulated startup and shutdown cycles and met its design objectives. The crystallizer system allows for crystallization and removal of the aluminium hydroxide reaction product; it is required to allow steady-state and long-term operation of the aluminum-air battery. The system has to minimize volume and maintain low turbulence and shear to minimize secondary nucleation and energy consumption while enhancing agglomeration. A lamella crystallizer satisfies system constraints.

  19. Aluminum-air battery crystallizer

    SciTech Connect

    Maimoni, A.

    1987-01-01

    A prototype crystallizer system for the aluminum-air battery operated reliably through simulated startup and shutdown cycles and met its design objectives. The crystallizer system allows for crystallization and removal of the aluminum hydroxide reaction product; it is required to allow steady-state and long-term operation of the aluminum-air battery. The system has to minimize volume and maintain low turbulence and shear to minimize secondary nucleation and energy consumption while enhancing agglomeration. A lamella crystallizer satisfies system constraints.

  20. Wetting of cholesteric liquid crystals.

    PubMed

    Silvestre, Nuno M; Figueirinhas Pereira, Maria Carolina; Bernardino, Nelson R; Telo da Gama, Margarida M

    2016-02-01

    We investigate theoretically the wetting properties of cholesteric liquid crystals at a planar substrate. If the properties of substrate and of the interface are such that the cholesteric layers are not distorted, the wetting properties are similar to those of a nematic liquid crystal. If, on the other hand, the anchoring conditions force the distortion of the liquid crystal layers the wetting properties are altered, the free cholesteric-isotropic interface is non-planar and there is a layer of topological defects close to the substrate. These deformations can either promote or hinder the wetting of the substrate by a cholesteric, depending on the properties of the cholesteric liquid crystal.

  1. Crystal engineering using functionalized adamantane

    NASA Astrophysics Data System (ADS)

    Garcia, J. C.; Assali, L. V. C.; Machado, W. V. M.; Justo, J. F.

    2010-08-01

    We performed a first-principles investigation on the structural, electronic and optical properties of crystals made of chemically functionalized adamantane molecules. Several molecular building blocks, formed by boron and nitrogen substitutional functionalizations, were considered to build zinc blende and wurtzite crystals, and the resulting structures presented large bulk moduli and cohesive energies, wide and direct bandgaps, and low dielectric constants (low-κ materials). Those properties provide stability for such structures up to room temperature, superior to those of typical molecular crystals. This indicates a possible road map for crystal engineering using functionalized diamondoids, with potential applications ranging from space filling between conducting wires in nanodevices to nano-electromechanical systems.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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

  7. 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.

  8. Fabrication and optical transmission characteristics of polymers woodpile photonic crystal structures with different crystal planes

    NASA Astrophysics Data System (ADS)

    Chen, Ling-Jing; Dong, Xian-Zi; Zhao, Yuan-Yuan; Zhang, Yong-Liang; Liu, Jie; Zheng, Mei-Ling; Duan, Xuan-Ming; Zhao, Zhen-Sheng

    2015-10-01

    The photonic band gap effect which originates from the translational invariance of the periodic lattice of dielectrics has been widely applied in the technical applications of microwave, telecommunication and visible wavelengths. Among the various examples, polymers based three dimensional (3D) photonic crystals (PhCs) have attracted considerable interest because they can be easily fabricated by femo-second (fs) ultrafast laser direct writing (DLW) method. However, it is difficult to realize complete band gap in polymers PhCs due to the low index contrast between polymers and air. Here, we report the design and experimental realization of light's nonreciprocal propagation in woodpile PhCs fabricated with DLW method. Firstly, we fabricated several polymers woodpile PhCs on glass substrate with different crystal planes. The Fourier transform infrared spectroscopy (FTIR) measurements are in agreement with the theoretical predictions, which proves the validity and the accuracy of our DLW method. Further measurements of the transmission spectra with respect to the incident angle reveal that the surface crystal planes and incident wave vectors play important roles in the optical response. Furthermore, we designed and fabricated a 30° PhC wedge. And we find nonreciprocal transmission effect between the forward and backward waves, resulting from the nonsymmetrical refraction of the light in different planes. Our results may find potential applications in future 3D photonic integrated circuits and pave the way for the fabrication of other photonic and optical devices with DLW method.

  9. 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.

  10. 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.

  11. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer.

    PubMed

    Lorenzo, Daniel A; Forrest, Sebastian J K; Sparkes, Hazel A

    2016-02-01

    A number of hydrogen-bonded co-crystals, consisting of a cinnamic acid derivative and a pyridyl co-crystallizer, have been synthesized and their properties investigated by X-ray diffraction. Samples were prepared by recrystallization or solvent drop grinding of trans-cinnamic acid (1), 4-methylcinnamic acid (2), 4-methoxy cinnamic acid (3) or 3,4-methoxy cinnamic acid (4), with 4,4-dipyridyl (A), iso-nicotinamide (B) or nicotinamide (C). The X-ray single-crystal structures of seven novel co-crystals, obtained through recrystallization, are examined and the hydrogen-bonding interactions discussed. Consistent hydrogen-bonding motifs were observed for samples prepared when using 4,4-dipyridyl (A) or iso-nicotinamide (B) as the co-crystallizing agent. Powder X-ray diffraction analysis of the samples prepared by solvent drop grinding suggests the formation of ten co-crystals.

  12. Protein structure validation and analysis with X-ray crystallography.

    PubMed

    Papageorgiou, Anastassios C; Mattsson, Jesse

    2014-01-01

    X-ray crystallography is the main technique for the determination of protein structures. About 85 % of all protein structures known to date have been elucidated using X-ray crystallography. Knowledge of the three-dimensional structure of proteins can be used in various applications in biotechnology, biomedicine, drug design, and basic research and as a validation tool for protein modifications, ligand binding, and structural authenticity. Moreover, the requirement for pure, homogeneous, and stable protein solutions in crystallizations makes X-ray crystallography beneficial in other fields of protein research as well. Here, we describe the technique of X-ray protein crystallography and the steps involved for a successful three-dimensional crystal structure determination.

  13. 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.

  14. [Comparative study of crystallization processes in case of glycine crystallization].

    PubMed

    Aigner, Zoltán; Szegedi, Adám; Szabadi, Viktor; Ambrus, Rita; Sovány, Tamás; Szabóné Révész, Piroska

    2012-01-01

    In our work, the effect of crystallization methods and their parameters on the particle size, particle size-distribution and roundness were investigated in case of glycine crystallization. Three types of crystallization methods were applied according to the solubility results of the substance. In case of cooling crystallization, the effect of cooling and stirring rates were investigated. The feeding and stirring rates were changed in the feeding crystallization. In the antisolvent technique, the effect of cycle and amplitude of the sonification were studied on the particle size. A 3(2) full factorial design was applied for investigation of the effect of crystallization parameters. The results were analyzed by statistical software. The particle size distribution and roundness were measured by laser diffraction and light microscopic image analysis systems. The polymorph type of products was investigated by XRPD. The crystallized product morphology was examined using scanning electron microscopy. We found that the crystallization methods and certain parameters have significant effect on the particle size, particle size distribution. In spite of the modified particle size, morphology, roundness, the polymorph type of the product was the same with the original material.

  15. Close-spaced crystal growth and characterization of BP crystals

    NASA Astrophysics Data System (ADS)

    Schmitt, J. O.; Edgar, L. J. H.; Liu, L.; Nagarajan, R.; Szyszko, T.; Podsiadlo, S.; Wojciech, G.

    2005-02-01

    The present study was undertaken to determine if boron phosphide (BP) crystals could be produced by a simple technique, close-spaced vapor transport (CVST). This technique has proven very successful in achieving very high growth rates for a wide variety of materials including ZnSe, AlN, and SiC. Both silicon (100) and sapphire substrates were used for the CSVT growth. The resulting films were characterized by Raman spectroscopy. Sublimation of BP powder from 1050 to 1450 °C in an argon atmosphere produced a range of deep orange colour, single and polycrystalline BP crystals. The crystal size increased and the crystal density decreased with increasing temperature. Well-faceted crystals were produced at an intermediate temperature of 1200 °C. At temperatures higher then 1450 °C no BP crystals were grown. Only a fibrous mass of fine whiskers, loosely attached to the substrate were produced. The peak position of the Raman LO mode of the BP crystals was shifted to higher wavenumbers than the BP powder source, suggesting that the crystals were compressively strained.

  16. 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.

  17. Crystals stirred up: 2. Numerical insights into the formation of the earliest crust on the Moon

    NASA Astrophysics Data System (ADS)

    Suckale, Jenny; Elkins-Tanton, Linda T.; Sethian, James A.

    2012-08-01

    This is the second paper in a two-part series examining the fluid dynamics of crystal settling and flotation in the lunar magma ocean. In the first paper, we develop a direct numerical method for resolving the hydrodynamic interactions between crystals and their feedback on the flow field in magmatic liquid. In this paper, we use this computational technique to test the leading model for the formation of the earliest crust on the Moon. The anorthositic lithology of the lunar crust is thought to have been formed by the flotation of buoyant plagioclase crystals at a time when the lunar mantle was still wholly or largely molten. This model is appealing from an observational point of view, but its fluid dynamical validity is not obvious, because (1) plagioclase probably started crystallizing very late (i.e., when the magma ocean was already 80% solidified) and (2) a significant portion of the shallow lunar crust consists of almost pure plagioclase (>90 vol. %), requiring very efficient plagioclase segregation. The goal of this study is to better understand the fluid dynamical conditions that hinder or facilitate crystal settling or flotation. Our approach complements earlier studies by explicitly linking the petrological and fluid dynamical evolution and by focusing on the effect of increasing crystal fraction. We find that crystal settling was probably possible throughout the entire solidification history of the lunar magma ocean as long as crystal sizes were sufficiently large (r > 1 mm) and crystal fraction sufficiently low (ϕ < 13%).

  18. 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.

  19. 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...

  20. Czochralski silicon crystal growth: Modeling and simulation study

    NASA Astrophysics Data System (ADS)

    Javidi, Massoud

    Czochralski (CZ) crystal growth process is a widely used technique in the manufacturing of silicon crystals and other semiconductor materials such as germanium (Ge) and gallium arsenide (GaAs). The ultimate goal for the Integrated Circuit (IC) industry is to have the highest quality substrate. There is a huge interest to manipulate the thermal field in both the melt and crystal and control the melt convection and crystal-annealing rate in order to reduce growth striations, impurity and dopant inhomogeneity concentrations, excess point defects generation at interface, and micro defects nucleation and growth within the growing crystal. The objective of this investigation has been to facilitate and spearhead the development of a simple/efficient simulation tool for the accurate prediction of global thermal and flow fields and the melt-crystal interface position in the CZ process. The numerical algorithm employs a rectangular (fixed or non-uniform) mesh for enhanced computational efficiency and an enthalpy-based technique for interface tracking. Turbulent flow in the melt is accounted for by utilizing a K-ε model. Radiative heat transfer is modeled in a lumped parameter sense without appreciably compromising on solution accuracy to further allow for CPU times savings. The simulation tool is validated in a number of benchmark flows such as Wheeler's problem. For the CZ crystal growth process, an entire growth cycle has been computed and reliable predictions for the evolution of interface position, and flow/thermal field characteristics have been obtained. The enhanced CPU efficiency of the approach developed here could help integrate it into on-line control strategies.

  1. Parallel finite-difference time-domain modeling of an opal photonic crystal

    NASA Astrophysics Data System (ADS)

    Vaccari, Alessandro; Cristoforetti, Luca; Lesina, Antonino Calà; Ramunno, Lora; Chiappini, Andrea; Prudenzano, Francesco; Bozzoli, Alessandro; Calliari, Lucia

    2014-07-01

    This work describes a computational approach for the optical characterization of an opal photonic crystal (PC). We intend, in particular, to validate our approach by comparing the transmittance of a crystal model, as obtained by numerical simulation, with the transmittance of the same crystal, as measured over 400- to 700-nm wavelength range. We consider an opal PC with a face-centered cubic lattice structure of spherical particles made of polystyrene (a nonabsorptive material with constant relative dielectric permittivity). Light-crystal interaction is simulated by numerically solving Maxwell's equations via the finite-difference time-domain method and by using the Kirchhoff formula to calculate the far field. A method to study the propagating Bloch modes inside the crystal bulk is also sketched.

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

    PubMed

    Devedjiev, Yancho D

    2015-02-01

    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.

  3. Thermal resistance at an interface between a crystal and its melt

    NASA Astrophysics Data System (ADS)

    Liang, Zhi; Evans, William J.; Keblinski, Pawel

    2014-07-01

    Non-equilibrium molecular dynamics simulations are used to determine interfacial thermal resistance (Kapitza resistance) between a crystal and its melt for three materials including Ar, H2O, and C8H18 (octane). The simulation results show that the Kapitza resistance at a crystal-melt interface is very small and thus has a negligible effect on thermal transport across the crystal-melt interface. The underlying origins of this behavior are the very good vibrational property match between the two materials forming the interface and good interfacial bonding. The result also indicates that the commonly-used assumption that temperature profile is continuous at the crystal-melt interface is valid even in the case of very rapid crystal melting or growth.

  4. 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)

  5. Variable focus crystal diffraction lens

    SciTech Connect

    Smither, R.K.

    1988-11-01

    A new method has been developed to control the shape of the surface of a diffracting crystal that will allow it to function as a variable focus crystal diffraction lens, for focusing photon beams from a synchrotron source. The new method uses thermal gradients in the crystal to control the shape of the surface of the crystal in two dimensions and allows one to generate both spherical and ellipsoidal surface shapes. In this work the thermal gradient was generated by core drilling two sets of cooling channels in a silicon crystal so that cooling or heating fluids could be circulated through the crystal at two different levels. The first set of channels is close to the surface of the crystal where the photon beam strikes it. The second set of channels is equal distant from the back surface. If a concave surface is desired, the fluid in the channels just below the surface exposed to the beam is cooler than the fluid circulating through the channels near the back surface. If a convex surface is desired, then the cooling fluid in the upper channels near the surface exposed to the incident photon beam, is warmer than the fluid in the lower channels. The focal length of the crystal lens is varied by varying the thermal gradient in the crystal. This approach can also be applied to the first crystal in a high power synchrotron beam line to eliminate the bowing and other thermal distortions of the crystal caused by the high heat load. 6 refs., 8 figs., 3 tabs.

  6. 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…

  7. Crystal engineering: From design of crystal structures to fabrication of composite crystals

    NASA Astrophysics Data System (ADS)

    Luo, Tzy-Jiun Mark

    This thesis reports how to design and control co-crystal structures from a kinetic point of view, and demonstrates the control of crystal morphology through understanding the kinetics and crystal structures. In chapter one, the in-situ atomic force microscope (AFM) was utilized to investigate how side chain on a glycine 2,5-diketopiperazine (GLYDKP) backbone can affect the assembly of GLYDKP, and showed that methyl groups cause larger energy barrier for crystallization. Because the introduction of functional group on the side chain could inevitably slow down the assembly process, a different approach should be considered. Chapter two shows that formic acid at low concentration can accelerate the assembly process without incorporating into the crystal structure. Because formic acid only crystallizes with GLYDKP in concentrated solution, these results prove that co-crystallization is a better method for incorporating functionalized molecules into a solid than direct modification of molecule itself. Chapter three focuses on the rational design of GLYDKP cocrystals by utilizing the observation found in chapter two. Structure of GLYDKP and formic acid crystal was analyzed to search possible guest molecules for cocrystal studies. This method successfully identified eleven molecules that crystallize with GLYDKP, and proved that crystal structure can be controlled through weak interactions such as C-H•••O=C and C-H•••Cl interactions. Chapter four and chapter five explore the possibility of using self-assembled process to control morphology of crystals and surface epitaxy. Metal(II) bis(imidazolium 2,b-pyridinedicarboxylate) complexes were chosen and two morphologies associated with different metal ions were found: rhombohedral (Type I) and rectangular (Type II) crystals. In this study, an additive was found to change the morphology of crystal from type I to type II, and then methods of producing various shapes of composite crystals were also established. These

  8. 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.

  9. Slip Dynamics in Small Scale Crystals

    NASA Astrophysics Data System (ADS)

    Maass, Robert; Derlet, Peter; Greer, Julia; Volkert, Cynthia

    2015-03-01

    Classical work showed that dislocation velocities are strongly dependent on applied stress. Numerous experiments have validated this for individual or groups of dislocations in macroscopic crystals by using imaging techniques combined with either mechanical data or time resolved topological data. Developments in small scale mechanical testing allow to correlate the intermittency of collective dislocation motion with the mechanical response. Discrete forward surges in displacement can be related to dislocation avalanches, which are triggered by the evolving dislocation sub-structure. We study the spatiotemporal characteristics of intermittent plastic flow in quasi-statically sheared single crystalline Au crystals with diameters between 300 nm and 10000 nm, whose displacement bursts were recorded at several kHz (Scripta Mater. 2013, 69, 586; Small, available online). Both the crystallographic slip magnitude, as well as the velocity of the slip events are exhibiting power-law scaling as. The obtained slip velocity distribution has a cubic decay at high values, and a saturated flat shoulder at lower velocities. No correlation between the slip velocity and the applied stress or plastic strain is found. Further, we present DD-simulations that are supportive of our experimental findings. The simulations suggest that the dynamics of the internal stress fields dominate the evolving dislocation structure leading to velocities that are insensitive to the applied stress - a regime indicative of microplasticity.

  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. 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.

  12. Cognitive Complexity and Interest Crystallization.

    ERIC Educational Resources Information Center

    Winer, Dov; Gati, Itamar

    1986-01-01

    Investigated the relationship between cognitive differentiation and vocational interest crystallization. Results indicated the relationships between measures of cognitive differentiation were generally low, and that interest crystallization was related to between-construct differentiation, but not to the other measures of cognitive complexity.…

  13. Positioning Vise for Crystal Cleavage

    NASA Technical Reports Server (NTRS)

    Hallberg, F. C.; Morgan, C. J.

    1984-01-01

    Vise manipulates brittle crystals, such as lithium fluoride, so they are in proper position for cleaving. Vise allows crystals as thin as 2 millimeters or less positioned so that cleaved without breakage. Vise holds workpiece firmly but gently. Bushings, shafts and adjusting screw designed to move jaws smoothly and uniformly with great tactile sensitivity.

  14. 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.

  15. Controlling Chirality of Entropic Crystals

    NASA Astrophysics Data System (ADS)

    Damasceno, Pablo; Karas, Andrew; Schultz, Benjamin; Engel, Michael; Glotzer, Sharon

    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. Work supported by the National Science Foundation, Division of Materials Research Award No. DMR 1120923, U.S. Army Research Office under Grant Award No. W911NF-10-1-0518, and also by the DOD/ASD (R&E) under Award No. N00244-09-1-0062.

  16. Tunable Meta-Liquid Crystals.

    PubMed

    Liu, Mingkai; Fan, Kebin; Padilla, Willie; Powell, David A; Zhang, Xin; Shadrivov, Ilya V

    2016-02-24

    Meta-liquid crystals, a novel form of tunable 3D metamaterials, are proposed and experimentally demonstrated in the terahertz frequency regime. A morphology change under a bias electric field and a strong modulation of the transmission are observed. In comparison to conventional liquid crystals, there is considerable freedom to prescribe the electromagnetic properties through the judicious design of the meta-atom geometry.

  17. 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)

  18. 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)

  19. Czochralski crystal growth: Modeling study

    NASA Technical Reports Server (NTRS)

    Dudukovic, M. P.; Ramachandran, P. A.; Srivastava, R. K.; Dorsey, D.

    1986-01-01

    The modeling study of Czochralski (Cz) crystal growth is reported. The approach was to relate in a quantitative manner, using models based on first priniciples, crystal quality to operating conditions and geometric variables. The finite element method is used for all calculations.

  20. Pharmaceutical crystallization with nanocellulose organogels.

    PubMed

    Ruiz-Palomero, Celia; Kennedy, Stuart R; Soriano, M Laura; Jones, Christopher D; Valcárcel, Miguel; Steed, Jonathan W

    2016-06-14

    Carboxylated nanocellulose forms organogels at 0.3 wt% in the presence of a cationic surfactant. The resulting gels can be used as novel crystallization media for pharmaceutical solid form control, resulting in isolation a new sulfapyridine solvate, morphology modification and crystallization of an octadecylammonium salt of sulfamethoxazole. PMID:27168091

  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. Dual quartz crystal microbalance

    SciTech Connect

    Dunham, G.C.; Benson, N.H.; Petelenz, D.; Janata, J. )

    1995-01-15

    Construction and performance of a dual quartz crystal microbalance is described. The final probe has a dipstick configuration that is particularly suitable for sensing and monitoring applications in viscous and/or conducting liquids. The differential (heterodyned) frequency measurement substantially eliminates the deleterious effects of viscosity, temperature, and conductivity. The corresponding performance coefficients are temperature df/dT = 1.5 Hz/[degree]C, viscosity df/d[eta][sub L] = 103 Hz/cP, and conductivity df/dM = 108 Hz/M, where conductivity is expressed in terms of molarity of sodium chloride. As an example, the etching of a 2000-A-thick layer of aluminum has been monitored as a function of time. 13 refs., 8 figs., 1 tab.

  3. 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.

  4. 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.

  5. Crystal structure of cyproconazole

    PubMed Central

    Kang, Gihaeng; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho

    2015-01-01

    The title compound [systematic name: 2-(4-chloro­phen­yl)-3-cyclo­propyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol], C15H18ClN3O, is a conazole fungicide. The asymmetric unit comprises two enanti­omeric pairs (mol­ecules A and B) in which the dihedral angles between the chloro­phenyl and triazole rings are 46.54 (9) (mol­ecule A) and 67.03 (8)° (mol­ecule B). In the crystal, C—H⋯O, O—H⋯N and C—H⋯Cl hydrogen bonds and weak C—H⋯π inter­actions [3.473 (2) Å] link adjacent mol­ecules, forming columns along the a axis. PMID:26870467

  6. 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.

  7. Crystal structure of propaquizafop

    PubMed Central

    Jeon, Youngeun; Kim, Jineun; Lee, Sangjin; Kim, Tae Ho

    2014-01-01

    The title compound, C22H22ClN3O5 {systematic name: 2-(propan-2-yl­idene­amino­oxy)ethyl (R)-2-[4-(6-chloro­quin­oxalin-2-yl­oxy)phen­oxy]propionate}, is a herbicide. The asymmetric unit comprises two independent mol­ecules in which the dihedral angles between the phenyl ring and the quinoxaline ring plane are 75.93 (7) and 82.77 (8)°. The crystal structure features C—H⋯O, C—H⋯N, and C—H⋯Cl hydrogen bonds, as well as weak π–π inter­actions [ring-centroid separation = 3.782 (2) and 3.5952 (19) Å], resulting in a three-dimensional architecture. PMID:25553037

  8. 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

  9. Photonic Crystal Nanolaser Biosensors

    NASA Astrophysics Data System (ADS)

    Kita, Shota; Otsuka, Shota; Hachuda, Shoji; Endo, Tatsuro; Imai, Yasunori; Nishijima, Yoshiaki; Misawa, Hiroaki; Baba, Toshihiko

    High-performance and low-cost sensors are critical devices for high-throughput analyses of bio-samples in medical diagnoses and life sciences. In this paper, we demonstrate photonic crystal nanolaser sensor, which detects the adsorption of biomolecules from the lasing wavelength shift. It is a promising device, which balances a high sensitivity, high resolution, small size, easy integration, simple setup and low cost. In particular with a nanoslot structure, it achieves a super-sensitivity in protein sensing whose detection limit is three orders of magnitude lower than that of standard surface-plasmon-resonance sensors. Our investigations indicate that the nanoslot acts as a protein condenser powered by the optical gradient force, which arises from the strong localization of laser mode in the nanoslot.

  10. Crystallized Schroedinger cat states

    SciTech Connect

    Castanos, O.; Lopez-Pena, R.; Man`ko, V.I.

    1995-11-01

    Crystallized Schroedinger cat states (male and female) are introduced on the base of extension of group construction for the even and odd coherent states of the electromagnetic field oscillator. The Wigner and Q functions are calculated and some are plotted for C{sub 2}, C{sub 3}, C{sub 4}, C{sub 5}, C{sub 3v} Schroedinger cat states. Quadrature means and dispersions for these states are calculated and squeezing and correlation phenomena are studied. Photon distribution functions for these states are given explicitly and are plotted for several examples. A strong oscillatory behavior of the photon distribution function for some field amplitudes is found in the new type of states.

  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. PMID:27429366

  12. 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.

  13. 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.

  14. Computational strain gradient crystal plasticity

    NASA Astrophysics Data System (ADS)

    Niordson, Christian F.; Kysar, Jeffrey W.

    2014-01-01

    A numerical method for viscous strain gradient crystal plasticity theory is presented, which incorporates both energetic and dissipative gradient effects. The underlying minimum principles are discussed as well as convergence properties of the proposed finite element procedure. Three problems of plane crystal plasticity are studied: pure shear of a single crystal between rigid platens as well as plastic deformation around cylindrical voids in hexagonal close packed and face centered cubic crystals. Effective in-plane constitutive slip parameters for plane strain deformation of specifically oriented face centered cubic crystals are developed in terms of the crystallographic slip parameters. The effect on geometrically necessary dislocation structures introduced by plastic deformation is investigated as a function of the ratio of void radius to plasticity length scale.

  15. 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

  16. Crystals of cadmium, zinc metallothionein.

    PubMed Central

    Melis, K A; Carter, D C; Stout, C D; Winge, D R

    1984-01-01

    Single crystals have been grown of Cd,Zn metallothionein isoform II from rat liver. The space group is P41212(P43212) with unit cell dimensions a = b = 31.0 A and c = 120.0 A, and one molecule in the crystallographic asymmetric unit. The crystals are square bipyramids elongated on the tetragonal c-axis and are grown by repetitive seeding. The crystals are suitable for high resolution structure analysis. Assays of dissolved crystals show that the crystals have the same Cd and Zn content and amino acid composition as the native, as-isolated protein. Images FIGURE 1. FIGURE 2. (a) FIGURE 2. (b) FIGURE 4. FIGURE 5. PMID:6734549

  17. 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.

  18. 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. PMID:24579057

  19. CFD modelling of single crystal growth of potassium dihydrogen phosphate (KDP) from binary water solution at 30 °C

    NASA Astrophysics Data System (ADS)

    Liiri, Maret; Enqvist, Yuko; Kallas, Juha; Aittamaa, Juhani

    2006-01-01

    Crystal growth rate depends on both diffusion and surface reaction. In industrial crystallizers, there exist conditions for diffusion-controlled growth and surface reaction-controlled growth. Using mathematical modelling and experimental information obtained from growth studies of single crystals, it is possible to separate these phenomena and study how they are affected by concentration, slip velocities of particles, temperature and finally estimate the parameters for crystal growth models. In this study, a power-law growth model using activity-based driving force is created. Computational fluid dynamics (CFD) was used to evaluate the thickness of a diffusion layer around the crystal. Parameters of the crystal growth model were estimated using a non-linear optimization package KINFIT. Experimental data on growth rate of the (1 0 1) face of a potassium dihydrogen phosphate (KDP) single crystal and simulated data on the thickness of a diffusion layer at the same crystal face were used in parameter estimation. The new surface reaction model was implemented into the CFD code. The model was used to study the effect of flow direction on growth rate of the whole crystal with various slip velocities and solute concentrations. The developed method itself is valid in general but the parameters of crystal growth model are dependent on the system. In this study, the model parameters were estimated and verified for KDP crystal growth from binary water solution.

  20. 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.

  1. Effects of impurities on crystal growth in fructose crystallization

    NASA Astrophysics Data System (ADS)

    Chu, Y. D.; Shiau, L. D.; Berglund, K. A.

    1989-10-01

    The influence of impurities on the crystallization of anhydrous fructose from aqueous solution was studied. The growth kinetics of fructose crystals in the fructose-water-glucose and fructose-water-difructose dianhydrides systems were investigated using photomicroscopic contact nucleation techniques. Glucose is the major impurity likely to be present in fructose syrup formed during corn wet milling, while several difructose dianhydrides are formed in situ under crystallization conditions and have been proposed as a cause in the decrease of overall yields. Both sets of impurities were found to cause inhibition of crystal growth, but the mechanisms responsible in each case are different. It was found that the presence of glucose increases the solubility of fructose in water and thus lowers the supersaturation of the solution. This is probably the main effect responsible for the decrease of crystal growth. Since the molecular structures of difructose dianhydrides are similar to that of fructose, they are probably "tailor-made" impurities. The decrease of crystal growth is probably caused by the incorporation of these impurities into or adsorption to the crystal surface which would accept fructose molecules in the orientation that existed in the difructose dianhydride.

  2. Predicting crystal structure and habit of organic micro-crystals by experimentally assisted molecular modelling (EAMM). The case of n-octylamino-NBD

    NASA Astrophysics Data System (ADS)

    Pèpe, Gérard; Fery-Forgues, Suzanne; Jouanna, Paul

    2011-10-01

    Experimentally Assisted Molecular Modelling (EAMM) is an original approach for predicting the structure of organic micro-crystals and deducing their habit in the presence of various solvents and additives. It is applied here in the case of n-octylamino-nitrobenzoxadiazole ( nOA-NBD), a fluorescent compound. This general approach is first of all described and validated by its blind application to three known and closely-related crystals. Then, the whole process is applied to predict the molecular crystal generated by n-octylamino-NBD, including the molecule conformation, its structure (cell parameters, molecular packing, X-ray powder diagrams) and its theoretical plus actual habits in the presence of a solvent ( p-xylene) and two additives (acetic acid and n-dodecane). The conformation of the predicted molecule is validated by comparison with two similar molecules embedded in observable crystals. Then, the choice between two proposed structures (with the same energy and two equiprobable packings) is based on the comparison between experimental and re-computed X-ray powder diffraction diagrams, and also on the interpretation of an actual TEM image in the light of the proposed cell parameters. This choice is confirmed by the comparison between the vapour-grown face development (proposed by the BFDH or the attachment energy models) and the actual face development in a pure solvent. Finally, the actual habit deduced from comparing the crystal attachment energy with the adsorption energy of solvent or additive molecules is validated by SEM images of NBD micro-crystals in presence of the solvent alone or in presence of both additives. In conclusion, the EAMM approach appears to be a decisive tool for quickly simulating structural and habit properties of the molecular crystals, accessible or not by experimentation. Thus, a numerical selection of molecules becomes possible in view of deriving organic materials with predetermined properties, such as the fluorescence

  3. 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.

  4. 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.

  5. 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.

  6. Nanoparticles in liquid crystals, and liquid crystals in nanoparticles

    NASA Astrophysics Data System (ADS)

    de Pablo, Juan

    2015-03-01

    Liquid crystals are remarkably sensitive to interfacial interactions. Small perturbations at a liquid crystal interface, for example, can be propagated over relatively long length scales, thereby providing the basis for a wide range of applications that rely on amplification of molecular events into macroscopic observables. Our recent research efforts have focused on the reverse phenomenon; that is, we have sought to manipulate the interfacial assembly of nanoparticles or the organization of surface active molecules by controlling the structure of a liquid crystal. This presentation will consist of a review of the basic principles that are responsible for liquid crystal-mediated interactions, followed by demonstrations of those principles in the context of two types of systems. In the first, a liquid crystal is used to direct the assembly of nanoparticles; through a combination of molecular and continuum models, it is found that minute changes in interfacial energy and particle size lead to liquid-crystal induced attractions that can span multiple orders of magnitude. Theoretical predictions are confirmed by experimental observations, which also suggest that LC-mediated assembly provides an effective means for fabrication of plasmonic devices. In the second type of system, the structure of a liquid crystal is controlled by confinement in submicron droplets. The morphology of the liquid crystal in a drop depends on a delicate balance between bulk and interfacial contributions to the free energy; that balance can be easily perturbed by adsorption of analytes or nanoparticles at the interface, thereby providing the basis for development of hierarchical assembly of responsive, anisotropic materials. Theoretical predictions also indicate that the three-dimensional order of a liquid crystal can be projected onto a two-dimensional interface, and give rise to novel nanostructures that are not found in simple isotropic fluids.

  7. 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.

  8. 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.

  9. A phase-field-crystal model for liquid crystals.

    PubMed

    Löwen, Hartmut

    2010-09-15

    On the basis of static and dynamical density functional theory, a phase-field-crystal model is derived which involves both the translational density and the orientational degree of ordering as well as a local director field. The model exhibits stable isotropic, nematic, smectic A, columnar, plastic-crystalline and orientationally ordered crystalline phases. As far as the dynamics is concerned, the translational density is a conserved order parameter while the orientational ordering is non-conserved. The derived phase-field-crystal model can serve for use in efficient numerical investigations of various nonequilibrium situations in liquid crystals.

  10. 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

  11. 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.

  12. 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.

  13. 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.

  14. 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

  15. 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

  16. Towards improved CZT crystals.

    SciTech Connect

    Zimmerman, Jonathan A.; Ward, Donald K.; Doty, F. Patrick; Wong, Bryan Matthew; Zhou, Xiao Wang

    2010-03-01

    Past experimental efforts to improve CZT crystals for gamma spectrometer applications have been focused on reducing micron-scale defects such as tellurium inclusions and precipitates. While these micron-scale defects are important, experiments have shown that the micron-scale variations in transport can be caused by the formation and aggregation of atomic-scale defects such as dislocations and point defect clusters. Moreover, dislocation cells have been found to act as nucleation sites that cause the formation of large precipitates. To better solve the uniformity problem of CZT, atomic-scale defects must be understood and controlled. To this end, we have begun to develop an atomistic model that can be used to reveal the effects of small-scale defects and to guide experiments for reducing both atomic- and micron-scale (tellurium inclusions and precipitates) defects. Our model will be based upon a bond order potential (BOP) to enable large-scale molecular dynamics simulations of material structures at a high-fidelity level that was not possible with alternative methods. To establish how BOP improves over existing approaches, we report here our recent work on the assessment of two representative literature CdTe interatomic potentials that are currently widely used: the Stillinger-Weber (SW) potential and the Tersoff-Rockett (TR) potential. Careful examinations of phases, defects, and surfaces of the CdTe system were performed. We began our study by using both potentials to evaluate the lattice constants and cohesive energies of various Cd, Te, and CdTe phases including dimer, trimer, chain, square, rhomboid, tetrahedron, diamond-cubic (dc), simple-cubic (sc), body-centered-cubic (bcc), face-centered cubic (fcc), hexagonal-close-packed (hcp), graphite-sheet, A8, zinc-blende (zb), wurtzite (wz), NaCl, CsCl, etc. We then compared the results with our calculations using the density functional theory (DFT) quantum mechanical method. We also evaluated the suitability of the

  17. Salt crystal purification by deliquescence/crystallization cycling

    NASA Astrophysics Data System (ADS)

    Desarnaud, J.; Shahidzadeh-Bonn, N.

    2011-08-01

    In this paper we show how by repetitive humidity cycling high-quality single crystals of salt (NaCl) can be obtained. The drying of droplets of saturated salt solution, leads to many individual microcrystallites that grow close to the contact line due to the "coffee stain effect". Subsequent humidity cycling leads to the growth of a smaller number of crystals by expulsing impurities. This allows us to obtain only one single crystal instead of several dozens of crystallites in as little as three cycles. The reduction in the number of cycles needed to obtain a single crystal can even be improved by the combination of two effects; firstly the deliquescence/recrystallisation cycling and secondly by controlling the wetting properties of the substrate with grafted monolayer treatments.

  18. 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

  19. Random photonic crystal optical memory

    NASA Astrophysics Data System (ADS)

    Wirth Lima, A., Jr.; Sombra, A. S. B.

    2012-10-01

    Currently, optical cross-connects working on wavelength division multiplexing systems are based on optical fiber delay lines buffering. We designed and analyzed a novel photonic crystal optical memory, which replaces the fiber delay lines of the current optical cross-connect buffer. Optical buffering systems based on random photonic crystal optical memory have similar behavior to the electronic buffering systems based on electronic RAM memory. In this paper, we show that OXCs working with optical buffering based on random photonic crystal optical memories provides better performance than the current optical cross-connects.

  20. Active crystals and their stability.

    PubMed

    Menzel, Andreas M; Ohta, Takao; Löwen, Hartmut

    2014-02-01

    A recently introduced active phase field crystal model describes the formation of ordered resting and traveling crystals in systems of self-propelled particles. Increasing the active drive, a resting crystal can be forced to perform collectively ordered migration as a single traveling object. We demonstrate here that these ordered migrating structures are linearly stable. In other words, during migration, the single-crystalline texture together with the globally ordered collective motion is preserved even on large length scales. Furthermore, we consider self-propelled particles on a substrate that are surrounded by a thin fluid film. We find that in this case the resulting hydrodynamic interactions can destabilize the order.

  1. The Physics of Protein Crystallization

    NASA Technical Reports Server (NTRS)

    Vekilov, P. G.; Chernov, A. A.

    2002-01-01

    This paper covers review of recent research on protein crystal properties, nucleation, growth and perfection. Mechanical properties of crystals built of molecules strongly exceeding the range of molecular forces are very different from conventional ones. Similar scaling is responsible for specificity of phase equilibrium for macromolecular systems of which thermodynamics is discussed. Nucleation and growth peculiarity and similarity in protein solutions as compared to inorganic solutions is addressed. Hypotheses on why and when microgravity (lack of convection) conditions may result in more perfect crystals are discussed.

  2. 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.

  3. 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. PMID:25080242

  4. Sonic crystal acoustic switch device.

    PubMed

    Alagoz, Serkan; Alagoz, Baris Baykant

    2013-06-01

    This study reports a wave-controlled sonic crystal switch device that exhibits a destructive interference-based wave to wave reverse switching effect. By applying control waves, this acoustic device, composed of a two-dimensional square lattice sonic crystal block, reduces acoustic wave transmission from input to output. The finite difference time domain simulation and experimental results confirm the wave-to-wave reverse switching effect at the peak frequencies of the second band. The proposed sonic crystal switch prototype provides a contrast rate of 86% at 11.3 kHz frequency. This wave-to-wave switching effect is useful for controlling wave propagation for smart structure applications.

  5. Crystal structure determination of Efavirenz

    NASA Astrophysics Data System (ADS)

    Popeneciu, Horea; Tripon, Carmen; Borodi, Gheorghe; Pop, Mihaela Maria; Dumitru, Ristoiu

    2015-12-01

    Needle-shaped single crystals of the title compound, C14H9ClF3NO2, were obtained from a co-crystallization experiment of Efavirenz with maleic acid in a (1:1) ratio, using methanol as solvent. Crystal structure determination at room temperature revealed a significant anisotropy of the lattice expansion compared to the previously reported low-temperature structure. In both low- and room temperature structures the cyclopropylethynyl fragment in one of the asymmetric unit molecules is disordered. While at low-temperature only one C atom exhibits positional disorder, at room temperature the disorder is present for two C atoms of the cyclopropane ring.

  6. 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.

  7. 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.

  8. Ice-Crystallization Kinetics during Fuel-Cell Cold-Start

    NASA Astrophysics Data System (ADS)

    Dursch, Thomas James, Jr.

    Proton-exchange-membrane fuel cells (PEMFCs) show promise in automotive applications because of their high efficiency, high power density, and potentially low emissions. To be successful in automobiles, PEMFCs must permit rapid startup with minimal energy from subfreezing temperatures, known as cold-start. In a PEMFC, reduction of oxygen to water occurs in the cathode catalyst layer (CL). Under subfreezing conditions, water generated during startup solidifies and hinders access of gaseous oxygen to the catalytic sites in the cathode CL, severely inhibiting cell performance and potentially causing cell failure. Achieving cold-start is difficult in practice, due to potential flooding, sluggish reaction kinetics, durability loss, and rapid ice crystallization. Currently, however, few studies focus on the fundamentals of ice crystallization during cold-start. Elucidation of the mechanisms and kinetics of ice formation within PEMFC porous media is, therefore, critical to successful cell startup and high performance at low temperatures. First, an experimental method is presented for obtaining isothermal ice-crystallization kinetics in water-saturated gas-diffusion layers (GDLs). Ice formation is initially studied in the GDL because this layer retains a significant amount of product water during cold-start. Isothermal ice-crystallization and ice-nucleation rates are obtained in commercial Toray GDLs as functions of subcooling using differential scanning calorimetry (DSC). A nonlinear ice-crystallization rate expression is developed using Johnson-Mehl-Avrami-Kolmogorov (JMAK) theory, in which the heat-transfer-limited growth rate is determined from the moving-boundary Stefan problem. Predicted ice-crystallization rates are in excellent agreement with experiment. A validated rate expression is thus available for predicting ice-crystallization kinetics in GDLs. Ice-crystallization kinetics is also considered under experimental settings similar to real PEMFC operating

  9. ValidNESs: a database of validated leucine-rich nuclear export signals.

    PubMed

    Fu, Szu-Chin; Huang, Hsuan-Cheng; Horton, Paul; Juan, Hsueh-Fen

    2013-01-01

    ValidNESs (http://validness.ym.edu.tw/) is a new database for experimentally validated leucine-rich nuclear export signal (NES)-containing proteins. The therapeutic potential of the chromosomal region maintenance 1 (CRM1)-mediated nuclear export pathway and disease relevance of its cargo proteins has gained recognition in recent years. Unfortunately, only about one-third of known CRM1 cargo proteins are accessible in a single database since the last compilation in 2003. CRM1 cargo proteins are often recognized by a classical NES (leucine-rich NES), but this signal is notoriously difficult to predict from sequence alone. Fortunately, a recently developed prediction method, NESsential, is able to identify good candidates in some cases, enabling valuable hints to be gained by in silico prediction, but until now it has not been available through a web interface. We present ValidNESs, an integrated, up-to-date database holding 221 NES-containing proteins, combined with a web interface to prediction by NESsential.

  10. 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.

  11. The Biological Macromolecule Crystallization Database and NASA Protein Crystal Growth Archive.

    PubMed

    Gilliland, G L; Tung, M; Ladner, J

    1996-01-01

    The NIST/NASA/CARB Biological Macromolecule Crystallization Database (BMCD), NIST Standard Reference Database 21, contains crystal data and crystallization conditions for biological macromolecules. The database entries include data abstracted from published crystallographic reports. Each entry consists of information describing the biological macromolecule crystallized and crystal data and the crystallization conditions for each crystal form. The BMCD serves as the NASA Protein Crystal Growth Archive in that it contains protocols and results of crystallization experiments undertaken in microgravity (space). These database entries report the results, whether successful or not, from NASA-sponsored protein crystal growth experiments in microgravity and from microgravity crystallization studies sponsored by other international organizations. The BMCD was designed as a tool to assist x-ray crystallographers in the development of protocols to crystallize biological macromolecules, those that have previously been crystallized, and those that have not been crystallized.

  12. Modeling of lactose crystallization and color changes in model infant foods.

    PubMed

    Nasirpour, A; Scher, J; Linder, M; Desobry, S

    2006-07-01

    Lactose crystallization and color changes in formulas containing beta-lactoglobulin and gelatinized starch were investigated. Model infant formulas were prepared by colyophilization of 3 components (lactose, beta-lactoglobulin, and gelatinized starch). A mixture design was used to choose the percentage of each mixture component. These formulas were stored for 3 mo at different relative humidities (RH), ranging from approximately 0 to 94.6%, to study the lactose crystallization and color changes. Crystallization kinetics was studied by gravimetric methods, and lactose state (crystalline vs. amorphous) was verified before and after storage by differential scanning calorimetry. Before storage, lyophilized lactose was amorphous, but during storage it crystallized, depending on the RH. The lactose crystallization RH depended on the quantity of beta-lactoglobulin and gelatinized starch, and by increasing these quantities, the crystallization RH increased. For some formulas, the crystallization RH was noted at 3 different RH during storage. The first was noted after 1 d of storage and the second and third were observed later on, showing that crystallization is a time-dependent phenomenon. Nonenzymatic browning was studied in model infant formulas by yellow color changes of samples at 11.3, 43.2, 54.5, and 75.4% RH. In this study, 7 mathematical models were proposed to predict the moisture sorption properties and color changes at different RH, and the models were validated by experimental results. PMID:16772552

  13. Identification of Material Properties of PZT Single Crystals through Crystallographic Homogenization Method

    NASA Astrophysics Data System (ADS)

    Uetsuji, Yasutomo; Tanaka, Satoshi; Tsuchiya, Kazuyoshi; Ueda, Sei; Nakamachi, Eiji

    Single crystals of lead zirconium titanate (PZT) are difficult to fabricate. Thus, not all material properties of PZT have been fully characterized. In this paper, the mechanical and electrical properties of a PZT single crystal, which can be assumed to be identical to those of a crystal grain in a polycrystal, have been computed from those of a polycrystalline PZT ceramic by the steepest decent method and multiscale finite element modeling based on crystallographic homogenization method. Crystallographic homogenization enables us to predict macroscopic properties of ceramics taking into account the inhomogeneous microstructure of an aggregate of crystal grains. The crystal morphology of the PZT ceramic was measured by the SEM·EBSD technique, and the result was used in the microscopic finite element model. Then, the mechanical and electrical properties of the crystal grain were derived by the steepest decent method so that its macroscopic properties would correspond to the measured properties of the PZT ceramic. The proposed computational method was applied to barium titanate (BT) and validated by comparison of the computed material properties with known properties of the BT single crystal. Finally, the computed material properties, such as the elastic compliance, and the dielectric and piezoelectric constants, were presented for the PZT single crystal.

  14. 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.

  15. Biological liquid crystal elastomers.

    PubMed

    Knight, David P; Vollrath, Fritz

    2002-02-28

    Liquid crystal elastomers (LCEs) have recently been described as a new class of matter. Here we review the evidence for the novel conclusion that the fibrillar collagens and the dragline silks of orb web spiders belong to this remarkable class of materials. Unlike conventional rubbers, LCEs are ordered, rather than disordered, at rest. The identification of these biopolymers as LCEs may have a predictive value. It may explain how collagens and spider dragline silks are assembled. It may provide a detailed explanation for their mechanical properties, accounting for the variation between different members of the collagen family and between the draglines in different spider species. It may provide a basis for the design of biomimetic collagen and dragline silk analogues by genetic engineering, peptide- or classical polymer synthesis. Biological LCEs may exhibit a range of exotic properties already identified in other members of this remarkable class of materials. In this paper, the possibility that other transversely banded fibrillar proteins are also LCEs is discussed.

  16. HDF-EOS 5 Validator

    NASA Technical Reports Server (NTRS)

    Ullman, Richard; Bane, Bob; Yang, Jingli

    2008-01-01

    A computer program partly automates the task of determining whether an HDF-EOS 5 file is valid in that it conforms to specifications for such characteristics as attribute names, dimensionality of data products, and ranges of legal data values. ["HDF-EOS" and variants thereof are defined in "Converting EOS Data From HDF-EOS to netCDF" (GSC-15007-1), which is the first of several preceding articles in this issue of NASA Tech Briefs.] Previously, validity of a file was determined in a tedious and error-prone process in which a person examined human-readable dumps of data-file-format information. The present software helps a user to encode the specifications for an HDFEOS 5 file, and then inspects the file for conformity with the specifications: First, the user writes the specifications in Extensible Markup Language (XML) by use of a document type definition (DTD) that is part of the program. Next, the portion of the program (denoted the validator) that performs the inspection is executed, using, as inputs, the specifications in XML and the HDF-EOS 5 file to be validated. Finally, the user examines the output of the validator.

  17. Validating LES for Jet Aeroacoustics

    NASA Technical Reports Server (NTRS)

    Bridges, James

    2011-01-01

    Engineers charged with making jet aircraft quieter have long dreamed of being able to see exactly how turbulent eddies produce sound and this dream is now coming true with the advent of large eddy simulation (LES). Two obvious challenges remain: validating the LES codes at the resolution required to see the fluid-acoustic coupling, and the interpretation of the massive datasets that result in having dreams come true. This paper primarily addresses the former, the use of advanced experimental techniques such as particle image velocimetry (PIV) and Raman and Rayleigh scattering, to validate the computer codes and procedures used to create LES solutions. It also addresses the latter problem in discussing what are relevant measures critical for aeroacoustics that should be used in validating LES codes. These new diagnostic techniques deliver measurements and flow statistics of increasing sophistication and capability, but what of their accuracy? And what are the measures to be used in validation? This paper argues that the issue of accuracy be addressed by cross-facility and cross-disciplinary examination of modern datasets along with increased reporting of internal quality checks in PIV analysis. Further, it is argued that the appropriate validation metrics for aeroacoustic applications are increasingly complicated statistics that have been shown in aeroacoustic theory to be critical to flow-generated sound.

  18. 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

  19. 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

  20. Vibration resistant quartz crystal resonators

    NASA Astrophysics Data System (ADS)

    Goldfrank, B.; Warner, A.

    1982-11-01

    The principal objectives of this investigation were to provide doubly rotated quartz crystal resonators that exhibit low "g' sensitivity on the order of 1 superscript 10 per "g', and fast warm-up on the order of 1 superscript 9 in three minutes. Effects of changes in the mounting orientation have been investigated with respect to the magnitude of the acceleration sensitivity vector, for 0 angles of 21.95, 23.75 and 25.00, using 5 MHz/5th overtone plano-convex and bi-convex quartz crystal blanks. The mounting technique was three-point thermo-compression bonding; the mounts were 90 degrees apart. A new thermo-compression bonding ribbon was evaluated and instituted. 5 MHz and 10 MHz, third overtone crystals and 20 MHz fifth overtone crystals were measured for the magnitude of the acceleration sensitivity vector. Improved methods of X-ray orientation were also investigated.

  1. 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.

  2. 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.

  3. 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)

  4. 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).

  5. Crystal growth inside an octant.

    PubMed

    Olejarz, Jason; Krapivsky, P L

    2013-08-01

    We study crystal growth inside an infinite octant on a cubic lattice. The growth proceeds through the deposition of elementary cubes into inner corners. After rescaling by the characteristic size, the interface becomes progressively more deterministic in the long-time limit. Utilizing known results for the crystal growth inside a two-dimensional corner, we propose a hyperbolic partial differential equation for the evolution of the limiting shape. This equation is interpreted as a Hamilton-Jacobi equation, which helps in finding an analytical solution. Simulations of the growth process are in excellent agreement with analytical predictions. We then study the evolution of the subleading correction to the volume of the crystal, the asymptotic growth of the variance of the volume of the crystal, and the total number of inner and outer corners. We also show how to generalize the results to arbitrary spatial dimension. PMID:24032777

  6. 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.

  7. Particle size measurement for the control of industrial crystallizers

    NASA Astrophysics Data System (ADS)

    Boxman, A.

    1992-01-01

    The need for on-line sensors to monitor particulate processes is rapidly increasing. Such systems are a necessity to understand the complex phenomena of particle formation, growth, and breakage. Some aspects of the design of an on-line sensor for particle size analysis are discussed. The technique used is based on forward light scattering, which covers a size range from about 1 to 2,000 micrometers. The observations are used to develop a physical model and subsequently an effective control strategy for a 970 liter continuous crystallizer. The purpose of the controller is to manipulate the dynamics of the size distribution. Therefore, a firm relation between process inputs and outputs (i.e., the crystal size distribution) must first be established. Secondly, an intelligent interpretation of the recorded data, in this case a light scattering pattern, is required. Chapter headings include the following: Validation of Light Scattering Models for Polydisperse Particle Systems; Deconvolution Algorithm for the Recovery of Particle Size Distributions; Automated Measurement and Interpretation of Scattering Patterns; On-line Measurement of Crystal Size Distribution in Industrial Crystallizers.

  8. A crystal-clear zebrafish for in vivo imaging.

    PubMed

    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.

  9. 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

  10. Validation of histology image registration

    NASA Astrophysics Data System (ADS)

    Shojaii, Rushin; Karavardanyan, Tigran; Yaffe, Martin; Martel, Anne L.

    2011-03-01

    The aim of this paper is to validate an image registration pipeline used for histology image alignment. In this work a set of histology images are registered to their correspondent optical blockface images to make a histology volume. Then multi-modality fiducial markers are used to validate the alignment of histology images. The fiducial markers are catheters perfused with a mixture of cuttlefish ink and flour. Based on our previous investigations this fiducial marker is visible in medical images, optical blockface images and it can also be localized in histology images. The properties of this fiducial marker make it suitable for validation of the registration techniques used for histology image alignment. This paper reports on the accuracy of a histology image registration approach by calculation of target registration error using these fiducial markers.

  11. On the real crystal octahedra.

    PubMed

    Voytekhovsky, Yury L

    2002-11-01

    A real crystal octahedron is defined as any polyhedron bounded, at least, by some of four pairs of parallel planes being in a standard crystallographic orientation with arbitrary distances between them. All the combinatorially non-equivalent shapes (30 in total) are found and characterized by 2-subordination symbols, automorphism group orders and symmetry point groups. The results are discussed with respect to the diamond crystal morphology. PMID:12388881

  12. 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.

  13. 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.

  14. 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.

  15. Thermotropic liquid crystals from biomacromolecules

    PubMed Central

    Liu, Kai; Chen, Dong; Marcozzi, Alessio; Zheng, Lifei; Su, Juanjuan; Pesce, Diego; Zajaczkowski, Wojciech; Kolbe, Anke; Pisula, Wojciech; Müllen, Klaus; Clark, Noel A.; Herrmann, Andreas

    2014-01-01

    Complexation of biomacromolecules (e.g., nucleic acids, proteins, or viruses) with surfactants containing flexible alkyl tails, followed by dehydration, is shown to be a simple generic method for the production of thermotropic liquid crystals. The anhydrous smectic phases that result exhibit biomacromolecular sublayers intercalated between aliphatic hydrocarbon sublayers at or near room temperature. Both this and low transition temperatures to other phases enable the study and application of thermotropic liquid crystal phase behavior without thermal degradation of the biomolecular components. PMID:25512508

  16. Single Crystal Silicon Instrument Mirrors

    NASA Technical Reports Server (NTRS)

    Bly, Vince

    2007-01-01

    The goals for the fabrication of single crystal silicon instrument mirrors include the following: 1) Develop a process for fabricating lightweight mirrors from single crystal silicon (SCS); 2) Modest lightweighting: 3X to 4X less than equivalent solid mirror; 3) High surface quality, better than lambda/40 RMS @ 633nm; 4) Significantly less expensive than current technology; and 5) Negligible distortion when cooled to cryogenic temperatures.

  17. 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).

  18. All Validity Is Construct Validity. Or Is It?

    ERIC Educational Resources Information Center

    Kane, Michael

    2012-01-01

    Paul E. Newton's article on the consensus definition of validity tackles a number of big issues and makes a number of strong claims. I agreed with much of what he said, and I disagreed with a number of his claims, but I found his article to be consistently interesting and thought provoking (whether I agreed or not). I will focus on three general…

  19. 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.

  20. Adaptive Liquid Crystal Windows

    SciTech Connect

    Taheri, Bahman; Bodnar, Volodymyr

    2011-12-31

    Energy consumption by private and commercial sectors in the U.S. has steadily grown over the last decade. The uncertainty in future availability of imported oil, on which the energy consumption relies strongly, resulted in a dramatic increase in the cost of energy. About 20% of this consumption are used to heat and cool houses and commercial buildings. To reduce dependence on the foreign oil and cut down emission of greenhouse gases, it is necessary to eliminate losses and reduce total energy consumption by buildings. To achieve this goal it is necessary to redefine the role of the conventional windows. At a minimum, windows should stop being a source for energy loss. Ideally, windows should become a source of energy, providing net gain to reduce energy used to heat and cool homes. It is possible to have a net energy gain from a window if its light transmission can be dynamically altered, ideally electronically without the need of operator assistance, providing optimal control of the solar gain that varies with season and climate in the U.S. In addition, the window must not require power from the building for operation. Resolution of this problem is a societal challenge and of national interest and will have a broad global impact. For this purpose, the year-round, allclimate window solution to provide an electronically variable solar heat gain coefficient (SHGC) with a wide dynamic range is needed. AlphaMicron, Inc. (AMI) developed and manufactured 1ft × 1ft prototype panels for the world’s first auto-adjusting Adaptive Liquid Crystal Windows (ALCWs) that can operate from sunlight without the need for external power source and demonstrate an electronically adjustable SHGC. This novel windows are based on AlphaMicron’s patented e-Tint® technology, a guesthost liquid crystal system implemented on flexible, optically clear plastic films. This technology is suitable both for OEM and aftermarket (retro-fitting) lamination to new and existing windows. Low level of

  1. PIV Data Validation Software Package

    NASA Technical Reports Server (NTRS)

    Blackshire, James L.

    1997-01-01

    A PIV data validation and post-processing software package was developed to provide semi-automated data validation and data reduction capabilities for Particle Image Velocimetry data sets. The software provides three primary capabilities including (1) removal of spurious vector data, (2) filtering, smoothing, and interpolating of PIV data, and (3) calculations of out-of-plane vorticity, ensemble statistics, and turbulence statistics information. The software runs on an IBM PC/AT host computer working either under Microsoft Windows 3.1 or Windows 95 operating systems.

  2. Cost Validation Using PRICE H

    NASA Technical Reports Server (NTRS)

    Jack, John; Kwan, Eric; Wood, Milana

    2011-01-01

    PRICE H was introduced into the JPL cost estimation tool set circa 2003. It became more available at JPL when IPAO funded the NASA-wide site license for all NASA centers. PRICE H was mainly used as one of the cost tools to validate proposal grassroots cost estimates. Program offices at JPL view PRICE H as an additional crosscheck to Team X (JPL Concurrent Engineering Design Center) estimates. PRICE H became widely accepted ca, 2007 at JPL when the program offices moved away from grassroots cost estimation for Step 1 proposals. PRICE H is now one of the key cost tools used for cost validation, cost trades, and independent cost estimates.

  3. Critical validation studies of neurofeedback.

    PubMed

    Gruzelier, John; Egner, Tobias

    2005-01-01

    The field of neurofeedback training has proceeded largely without validation. In this article the authors review studies directed at validating sensory motor rhythm, beta and alpha-theta protocols for improving attention, memory, and music performance in healthy participants. Importantly, benefits were demonstrable with cognitive and neurophysiologic measures that were predicted on the basis of regression models of learning to enhance sensory motor rhythm and beta activity. The first evidence of operant control over the alpha-theta ratio is provided, together with remarkable improvements in artistic aspects of music performance equivalent to two class grades in conservatory students. These are initial steps in providing a much needed scientific basis to neurofeedback.

  4. Validation of ion channel targets.

    PubMed

    Gerlach, Aaron C; Antonio, Brett M

    2015-01-01

    A prerequisite for a successful target-based drug discovery program is a robust data set that increases confidence in the validation of the molecular target and the therapeutic approach. Given the significant time and resource investment required to carry a drug to market, early selection of targets that can be modulated safely and effectively forms the basis for a strong portfolio and pipeline. In this article we present some of the more useful scientific approaches that can be applied toward the validation of ion channel targets, a molecular family with a history of clinical success in therapeutic areas such as cardiovascular, respiratory, pain and neuroscience.

  5. The need for growing crystals in space

    NASA Technical Reports Server (NTRS)

    Kern, E. L.

    1981-01-01

    Payoffs of crystal growth in space in the areas of understanding growth and melt flow mechanisms, the growth of more uniform crystals with fewer defects, and the growth of crystals difficult or impossible to grow on Earth are summarized. The advantages of various heating methods are summarized. Critical devices requiring the uniformity and lower defect density of crystals grown in space are listed.

  6. Experimental study of photonic crystal triangular lattices

    NASA Astrophysics Data System (ADS)

    Qin, Ruhu; Qin, Bo; Jin, Chongjun

    1999-06-01

    Triangular lattice photonic crystal behaving in the electromagnetic zones constructed from fused silica cylinders in styrofoam is fabricated. The transmission spectra of the photonic crystal with and without defects are measured. On this basis, the defect modes of photonic crystal were studied, and the potential applications of the photonic crystal are discussed.

  7. Modelling of Verneuil process for the sapphire crystal growth

    NASA Astrophysics Data System (ADS)

    Barvinschi, Floricica; Santailler, Jean-Louis; Duffar, Thierry; Le Gal, Hervé

    1999-03-01

    The finite element software FIDAP was used to simulate the Verneuil crystal growth process. The turbulent combustion between hydrogen and oxygen, giving water, the hydrodynamics of the gas phase, the inlet and outlet chemical species flow resulting from the combustion and the heat transfer in the furnace (including internal wall-to-wall radiation) are taken into account. A problem with 10 degrees of freedom per node is generated, solved and the results of the axisymmetric model have shown that the coupling of all these phenomena can be achieved in one numerical model. The effects of transparency of the crystal is discussed. A qualitative agreement between some experimental observations and the model is found, so that modelling may be a good tool for studying the Verneuil process. Nevertheless, some improvements of the model in conjunction with other experimental validations appear necessary.

  8. Proposed definition of crystal substructure and substructural similarity

    NASA Astrophysics Data System (ADS)

    Yang, Lusann; Dacek, Stephen; Ceder, Gerbrand

    2014-08-01

    There is a clear need for a practical and mathematically rigorous description of local structure in inorganic compounds so that structures and chemistries can be easily compared across large data sets. Here a method for decomposing crystal structures into substructures is given, and a similarity function between those substructures is defined. The similarity function is based on both geometric and chemical similarity. This construction allows for large-scale data mining of substructural properties, and the analysis of substructures and void spaces within crystal structures. The method is validated via the prediction of Li-ion intercalation sites for the oxides. Tested on databases of known Li-ion-containing oxides, the method reproduces all Li-ion sites in an oxide with a maximum of 4 incorrect guesses 80% of the time.

  9. Minimizing radiation damage in nonlinear optical crystals

    DOEpatents

    Cooke, D.W.; Bennett, B.L.; Cockroft, N.J.

    1998-09-08

    Methods are disclosed for minimizing laser induced damage to nonlinear crystals, such as KTP crystals, involving various means for electrically grounding the crystals in order to diffuse electrical discharges within the crystals caused by the incident laser beam. In certain embodiments, electrically conductive material is deposited onto or into surfaces of the nonlinear crystals and the electrically conductive surfaces are connected to an electrical ground. To minimize electrical discharges on crystal surfaces that are not covered by the grounded electrically conductive material, a vacuum may be created around the nonlinear crystal. 5 figs.

  10. Minimizing radiation damage in nonlinear optical crystals

    DOEpatents

    Cooke, D. Wayne; Bennett, Bryan L.; Cockroft, Nigel J.

    1998-01-01

    Methods are disclosed for minimizing laser induced damage to nonlinear crystals, such as KTP crystals, involving various means for electrically grounding the crystals in order to diffuse electrical discharges within the crystals caused by the incident laser beam. In certain embodiments, electrically conductive material is deposited onto or into surfaces of the nonlinear crystals and the electrically conductive surfaces are connected to an electrical ground. To minimize electrical discharges on crystal surfaces that are not covered by the grounded electrically conductive material, a vacuum may be created around the nonlinear crystal.

  11. Crystal growth in a three-phase system: diffusion and liquid-liquid phase separation in lysozyme crystal growth.

    PubMed

    Heijna, M C R; van Enckevort, W J P; Vlieg, E

    2007-07-01

    In the phase diagram of the protein hen egg-white lysozyme, a region is present in which the lysozyme solution demixes and forms two liquid phases. In situ observations by optical microscopy show that the dense liquid droplets dissolve when crystals grow in this system. During this process the demixed liquid region retracts from the crystal surface. The spatial distribution of the dense phase droplets present special boundary conditions for Fick's second law for diffusion. In combination with the cylindrical symmetry provided by the kinetically roughened crystals, this system allows for a full numerical analysis. Using experimental data for setting the boundary conditions, a quasi-steady-state solution for the time-dependent concentration profile was shown to be valid. Comparison of kinetically rough growth in a phase separated system and in a nonseparated system shows that the growth kinetics for a three-phase system differs from a two-phase system, in that crystals grow more slowly but the duration of growth is prolonged.

  12. Making Crystals from Crystals: A Solid-State Route to the Engineering of Crystalline Materials, Polymorphs, Solvates and Co-Crystals; Considerations on the Future of Crystal Engineering

    NASA Astrophysics Data System (ADS)

    Braga, Dario; Curzi, Marco; Dichiarante, Elena; Giaffreda, Stefano Luca; Grepioni, Fabrizia; Maini, Lucia; Palladino, Giuseppe; Pettersen, Anna; Polito, Marco

    Making crystals by design is the paradigm of crystal engineering. The main goal is that of obtaining and controlling the collective properties of a crystalline material from the convolution of the physical and chemical properties of the individual building blocks (whether molecules, ions, or metal atoms and ligands) with crystal periodicity and symmetry. Crystal engineering encompasses nowadays all traditional sectors of chemistry from organic to inorganic, organometallic, biological and pharmaceutical chemistry and nanotechnology. The investigation and characterization of the products of a crystal engineering experiment require the utilization of solid state techniques, including theoretical and advanced crystallography methods. Moreover, reactions between crystalline solids and/or between a crystalline solid and a vapour can be used to obtain crystalline materials, including new crystal forms, solvates and co-crystals. Indeed, crystal polymorphism, resulting from different packing arrangements of the same molecular or supramolecular entity in the crystal structure, represents a challenge to crystal makers.

  13. (PCG) Protein Crystal Growth Horse Serum Albumin

    NASA Technical Reports Server (NTRS)

    1995-01-01

    Horse Serum Albumin crystals grown during the USML-1 (STS-50) mission's Protein Crystal Growth Glovebox Experiment. These crystals were grown using a vapor diffusion technique at 22 degrees C. The crystals were allowed to grow for nine days while in orbit. Crystals of 1.0 mm in length were produced. The most abundant blood serum protein, regulates blood pressure and transports ions, metabolites, and therapeutic drugs. Principal Investigator was Edward Meehan.

  14. Interactional Competence: Challenges for Validity.

    ERIC Educational Resources Information Center

    Young, Richard F.

    One of the ways in which language testing interfaces with applied linguistics is in the definition and validation of the constructs that underlie language tests. When language testers and score users interpret scores on a test, they do so by implicit and explicit reference to the construct on which the test is based. Equally, when applied to new…

  15. Generalization of Selection Test Validity.

    ERIC Educational Resources Information Center

    Colbert, G. A.; Taylor, L. R.

    1978-01-01

    This is part three of a three-part series concerned with the empirical development of homogeneous families of insurance company jobs based on data from the Position Analysis Questionnaire (PAQ). This part involves validity generalizations within the job families which resulted from the previous research. (Editor/RK)

  16. Making the Term "Validity" Useful

    ERIC Educational Resources Information Center

    Koretz, Daniel

    2016-01-01

    Daniel Koretz is the Henry Lee Shattuck Professor of Education at the Harvard Graduate School of Education. His research focuses on educational assessment and policy, particularly the effects of high-stakes testing on educational practice and the validity of score gains. He is the author of "Measuring Up: What Educational Testing Really Tells…

  17. Comments on Implementing Validity Theory

    ERIC Educational Resources Information Center

    Gafni, Naomi

    2016-01-01

    Naomi Gafni, director of Research and Development, National Institute for Testing and Evaluation, Jerusalem, Israel, has devoted a substantial part of her career to the development of admissions tests and other educational tests and to the investigation of their validity. As such she is keenly aware of the complexities involved in this process.…

  18. Validity, Science and Educational Measurement

    ERIC Educational Resources Information Center

    Goldstein, Harvey

    2015-01-01

    The term "validity" is one of the most important and one of the most debated concepts in educational measurement. In this paper, I argue that various different approaches can all be viewed from an associational perspective. I also argue that our understanding will be enhanced by adopting some basic ideas of scientific reasoning to the…

  19. Genomic validation of national systems

    Technology Transfer Automated Retrieval System (TEKTRAN)

    National evaluation centers began testing estimated breeding values (EBVs) several decades ago to determine optimum statistical methods and convince breeders that the chosen methods work properly. In 1998, validation of traditional EBVs became more formal when 3 tests of genetic trend were required ...

  20. Validating LES for Jet Aeroacoustics

    NASA Technical Reports Server (NTRS)

    Bridges, James; Wernet, Mark P.

    2011-01-01

    Engineers charged with making jet aircraft quieter have long dreamed of being able to see exactly how turbulent eddies produce sound and this dream is now coming true with the advent of large eddy simulation (LES). Two obvious challenges remain: validating the LES codes at the resolution required to see the fluid-acoustic coupling, and the interpretation of the massive datasets that are produced. This paper addresses the former, the use of advanced experimental techniques such as particle image velocimetry (PIV) and Raman and Rayleigh scattering, to validate the computer codes and procedures used to create LES solutions. This paper argues that the issue of accuracy of the experimental measurements be addressed by cross-facility and cross-disciplinary examination of modern datasets along with increased reporting of internal quality checks in PIV analysis. Further, it argues that the appropriate validation metrics for aeroacoustic applications are increasingly complicated statistics that have been shown in aeroacoustic theory to be critical to flow-generated sound, such as two-point space-time velocity correlations. A brief review of data sources available is presented along with examples illustrating cross-facility and internal quality checks required of the data before it should be accepted for validation of LES.