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Relevant bibliographies by topics / Bulk Stoichiometry

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Dissertations / Theses
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Academic literature on the topic 'Bulk Stoichiometry'

Author: Grafiati

Published: 4 June 2021

Last updated: 15 February 2022

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Journal articles on the topic "Bulk Stoichiometry"

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Yu, Jianguo, Billy Valderrama, Hunter B. Henderson, Michele V. Manuel, and Todd Allen. "Near Surface Stoichiometry in UO2: A Density Functional Theory Study." Journal of Chemistry 2015 (2015): 1–8. http://dx.doi.org/10.1155/2015/142510.

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The mechanisms of oxygen stoichiometry variation in UO2at different temperature and oxygen partial pressure are important for understanding the dynamics of microstructure in these crystals. However, very limited experimental studies have been performed to understand the atomic structure of UO2near surface and defect effects of near surface on stoichiometry in which the system can exchange atoms with the external reservoir. In this study, the near (110) surface relaxation and stoichiometry in UO2have been studied with density functional theory (DFT) calculations. On the basis of the point-defect model (PDM), a general expression for the near surface stoichiometric variation is derived by using DFT total-energy calculations and atomistic thermodynamics, in an attempt to pin down the mechanisms of oxygen exchange between the gas environment and defected UO2. By using the derived expression, it is observed that, under poor oxygen conditions, the stoichiometry of near surface is switched from hyperstoichiometric at 300 K with a depth around 3 nm to near-stoichiometric at 1000 K and hypostoichiometric at 2000 K. Furthermore, at very poor oxygen concentrations and high temperatures, our results also suggest that the bulk of the UO2prefers to be hypostoichiometric, although the surface is near-stoichiometric.

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Zappettini, A., N. Spano, M. Mazzera, G. M. Guadalupi, and C. Paorici. "Off-stoichiometry determination of II–VI bulk crystals." Journal of Crystal Growth 310, no. 7-9 (April 2008): 2080–84. http://dx.doi.org/10.1016/j.jcrysgro.2007.11.232.

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Andersson, L. Mattias, Fengling Zhang, and Olle Inganäs. "Stoichiometry, mobility, and performance in bulk heterojunction solar cells." Applied Physics Letters 91, no. 7 (August 13, 2007): 071108. http://dx.doi.org/10.1063/1.2771524.

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Schirber, J. E., B. Morosin, R. M. Merrill, P. F. Hlava, E. L. Venturini, J. F. Kwak, P. J. Nigrey, R. J. Baughman, and D. S. Ginley. "Stoichiometry of bulk superconducting La2CuO4+δ: A superconducting superoxide?" Physica C: Superconductivity 152, no. 1 (March 1988): 121–23. http://dx.doi.org/10.1016/0921-4534(88)90081-0.

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Kogut, Iurii, Alexander Wollbrink, Carsten Steiner, Hendrik Wulfmeier, Fatima-Ezzahrae El Azzouzi, Ralf Moos, and Holger Fritze. "Linking the Electrical Conductivity and Non-Stoichiometry of Thin Film Ce1−xZrxO2−δ by a Resonant Nanobalance Approach." Materials 14, no. 4 (February 5, 2021): 748. http://dx.doi.org/10.3390/ma14040748.

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Bulk ceria-zirconia solid solutions (Ce1−xZrxO2−δ, CZO) are highly suited for application as oxygen storage materials in automotive three-way catalytic converters (TWC) due to the high levels of achievable oxygen non-stoichiometry δ. In thin film CZO, the oxygen storage properties are expected to be further enhanced. The present study addresses this aspect. CZO thin films with 0 ≤ x ≤ 1 were investigated. A unique nano-thermogravimetric method for thin films that is based on the resonant nanobalance approach for high-temperature characterization of oxygen non-stoichiometry in CZO was implemented. The high-temperature electrical conductivity and the non-stoichiometry δ of CZO were measured under oxygen partial pressures pO2 in the range of 10−24–0.2 bar. Markedly enhanced reducibility and electronic conductivity of CeO2-ZrO2 as compared to CeO2−δ and ZrO2 were observed. A comparison of temperature- and pO2-dependences of the non-stoichiometry of thin films with literature data for bulk Ce1−xZrxO2−δ shows enhanced reducibility in the former. The maximum conductivity was found for Ce0.8Zr0.2O2−δ, whereas Ce0.5Zr0.5O2-δ showed the highest non-stoichiometry, yielding δ = 0.16 at 900 °C and pO2 of 10−14 bar. The defect interactions in Ce1−xZrxO2−δ are analyzed in the framework of defect models for ceria and zirconia.

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Shim, Y., S. Horikawa, Y. Kikuno, and N. Yamamoto. "Growth and stoichiometry of THM-bulk single crystals of CuAlSe2." Journal of Crystal Growth 234, no. 1 (January 2002): 190–96. http://dx.doi.org/10.1016/s0022-0248(01)01672-4.

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Nedeltcheva, T., and L. Vladimirova. "Spectrophotometric determination of oxygen stoichiometry in YBCO superconducting bulk samples." Analytica Chimica Acta 437, no. 2 (June 2001): 259–63. http://dx.doi.org/10.1016/s0003-2670(01)01002-9.

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Schieber, M., M. Roth, H. Yao, M. DeVries, R. B. James, and M. Goorsky. "Bulk and surface stoichiometry of vapor grown mercuric iodide crystals." Journal of Crystal Growth 146, no. 1-4 (January 1995): 15–22. http://dx.doi.org/10.1016/0022-0248(94)00572-9.

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Bishop, S. R., K. L. Duncan, and E. D. Wachsman. "Surface and bulk oxygen non-stoichiometry and bulk chemical expansion in gadolinium-doped cerium oxide." Acta Materialia 57, no. 12 (July 2009): 3596–605. http://dx.doi.org/10.1016/j.actamat.2009.04.017.

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SONG, WEI, JING LU, ZHENGXIANG GAO, MING NI, LUNHUI GUAN, ZUJIN SHI, ZHENNAN GU, et al. "STRUCTURAL AND ELECTRONIC PROPERTIES OF ONE DIMENSIONAL KxC60 CRYSTAL ENCAPSULATED IN CARBON NANOTUBE." International Journal of Modern Physics B 21, no. 10 (April 20, 2007): 1705–14. http://dx.doi.org/10.1142/s0217979207036953.

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The structural and electronic properties of potential one dimensional (1D) superconductor — K x C 60 chain encapsulated inside a single-walled carbon nanotube is studied using first principles calculations. The stoichiometry of K to C 60 of the 1D K x C 60 crystal can reach 9, in contrast to a maximal stoichiometry of 6 found in the K doped bulk fullerides. The K 4s electrons are completely ionized, and fill chiefly the C 60-derived bands in a nonrigid way. The density of states at the Fermi level of the encapsulated 1D K x C 60 crystal is comparable to that in K doped bulk fullerides.

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Dissertations / Theses on the topic "Bulk Stoichiometry"

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Al-Brithen, Hamad A. H. "Scanning Tunneling Microscopy Investigation of Rock-salt and Zinc-blende Nitrides Grown by Molecular Beam Epitaxy." Ohio University / OhioLINK, 2004. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1107274641.

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Book chapters on the topic "Bulk Stoichiometry"

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Tüzemen, S., and M. R. Brozel. "EFFECT OF NON-STOICHIOMETRY ON NEAR-BANDEDGE ABSORPTION AND NON-RADIATIVE RECOMBINATION IN BULK GaAs." In Non-Stoichiometry in Semiconductors, 211–16. Elsevier, 1992. http://dx.doi.org/10.1016/b978-0-444-89355-0.50030-2.

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Prokofiev, Andrey, and Silke Pasche. "Crystal Growth and Stoichiometry of Strongly Correlated Intermetallic Cerium Compounds." In Modern Aspects of Bulk Crystal and Thin Film Preparation. InTech, 2012. http://dx.doi.org/10.5772/29675.

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Hu, Wentao, Yongjun Tian, and Zhongyuan Liu. "Carbon Vacancy Ordered Non-Stoichiometric ZrC0.6." In MAX Phases and Ultra-High Temperature Ceramics for Extreme Environments, 478–508. IGI Global, 2013. http://dx.doi.org/10.4018/978-1-4666-4066-5.ch016.

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The starting nanopowders of non-stoichiometric zirconium carbide (ZrCx) were fabricated via milling Zr powders in toluene for different dwell times. The carbon content was determined to depend on the milling time and the used amount of toluene. The bulk non-stoichiometric ZrCx with different x were prepared by spark plasma sintering of the obtained ZrCx nanopowders. The microstructural features of a sintered ZrC0.6 sample were investigated via the measurements of XRD, TEM, and HRTEM. It was found that the carbon vacancies have an ordering arrangement in C sublattice, forming a Zr2C-type cubic superstructural phase with space group of Moreover, it was observed that the superstructural phase exists in nano-domains with an average size of ~30 nm owing to the ordering length in nanoscale. During the heating treatment in air, it was recognized that the diffusion of oxygen atoms is significantly facilitated through the ordered carbon vacancies. For the heating treatment at low temperature (<300°C), the oxygen atoms diffuse easily into and occupy the ordered carbon vacancies, forming the oxy-carbide of ZrC0.6O0.4 with ordered oxygen atoms. At the heating temperature higher than 350 °C an amorphous layer of ZrC0.6Oy>0.4 was identified to be formed due to the diffusion of superfluous oxygen atoms into Zr-tetrahedral centers. Inside the amorphous layer, the metastable tetragonal zirconia nanocrystals are recognized to be gradually developed.

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Taber, Douglass F. "The Carreira Synthesis of (+)-Daphmanidin E." In Organic Synthesis. Oxford University Press, 2015. http://dx.doi.org/10.1093/oso/9780190200794.003.0092.

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(+)-Daphmanidin E 3, isolated from the leaves of Daphniphyllum teijsmanni, shows moderate vasorelaxant activity on the rat aorta. Considering the curiously compact structure of 3, Erick M. Carreira of ETH Zürich chose (Angew. Chem. Int. Ed. 2011, 50, 11501) to start the synthesis from the enantiomerically pure bicyclic diketone 2. The mono enolate of 2 was readily prepared, but the steric bulk of the ketal of 4 was needed to direct the subsequent hydroboration. Indeed, the alkene of 5 was so congested that excess BH3 at elevated temperature was required. Under those conditions, the esters were also partially reduced, so the reduction was completed with Dibal to deliver the crystalline triol 6. After protection of the alcohols, the remaining carbon atoms of 3 were added by sequential Claisen rearrangements. O-Alkylation with 7 delivered 8, which rearranged with 10:1 diastereoselectivity. After O-allylation, the second Claisen rearrangement led to 9 as the only isolable product. Selective hydroboration of 9 led to 10, which was deprotected, then dehydrated following the Grieco protocol. Functional group manipulation of 11 led to the aldehyde 12, which was condensed with nitromethane to give 13. Direct conjugate addition to 13 gave at best a 1:3 preference for the wrong diastereomer. With a chiral Cu catalyst, this was improved to 5:1 in favor of the desired diastereomer. Ozonolysis of 14 followed by selective reduction of the aldehyde gave the primary alcohol, which was carried onto the iodide. Elimination with DBU then delivered 15, setting the stage for the key intramolecular bond connection. After extensive exploration, it was found that irradiation of 15 in the presence of a catalytic amount of a cobaloxime catalyst and a stoichiometric amount of Hünig’s base gave clean cyclization to 16. The last carbocyclic ring of (+)-daphmanidin E 3 was closed by intramolecular aldol addition of the aldehyde of 17 to the ketone, followed by dehydration. The seemingly simple intramolecular imine formation to prepare the natural product, initially elusive, was effected by heating the ammonium salt in ethanol. The Co-catalyzed cyclization of 15 to 16 is particularly striking.

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Conference papers on the topic "Bulk Stoichiometry"

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Sirignano, M. D., V. Nair, D. Sunkara, B. L. Emerson, J. Seitzman, and T. C. Lieuwen. "Impact of Flame Lifting on Nitrogen Oxide Emissions From Premixed Reacting Jets in a Vitiated Crossflow." In ASME Turbo Expo 2019: Turbomachinery Technical Conference and Exposition. American Society of Mechanical Engineers, 2019. http://dx.doi.org/10.1115/gt2019-90952.

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Abstract This paper describes measurements of nitrogen oxide (NOx) emissions from reacting jets in crossflow (RJICF). Primary factors that influence RJICF NOx emissions are: jet stoichiometry, mixing between jet and crossflow before combustion, and mixing of the remainder of the crossflow with the combustion products of the secondary combustion region. The aforementioned mixing is controlled by shear layer vortices and the counter-rotating vortex pair, as well as flame lifting. The coupled effects of bulk averaged temperature rise as a result of the RJICF (ΔT), jet stoichiometry (ϕJet), and momentum flux ratio (J) present a challenge in understanding critical factors controlling NOx production as it is difficult to vary them independently. Therefore, significant attention was paid to designing a test matrix that differentiated these effects. The data reported herein were obtained from the injection of premixed ethane/air or ethane/methane/air mixtures into a vitiated crossflow at one of two temperatures (1350K and 1410K). Varying the ethane/methane ratio allowed for systematic variation of flame lifting independent of ϕjet and J. The jets contained sufficient fuel to create an adiabatic bulk temperature rises from 75K–350K, with J values from 8–40, and ϕJet values from 0.8–8.0. The reported measurements confirm that NOx emissions increase monotonically with ΔT, as discussed in literature, but also indicates that the lifting of the flame significantly impacts NOx production. Lifting itself is a function of the variables described above and was quantified with chemiluminescence imaging. In fact, flame lifting is the dominant factor influencing NOx emissions, including ΔT.

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Valentin, O., C. Gazeau, E. Blond, P. M. Geffroy, and N. Richet. "A Macroscopic Model of the Thermo-Chemo-Mechanical Behaviour of Mixed Ionic and Electronic Conductors." In ASME 2012 11th Biennial Conference on Engineering Systems Design and Analysis. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/esda2012-82253.

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This paper suggests a macroscopic model describing the thermo-chemo-mechanical behaviour of ceramic dense membrane for oxygen separation application. This work takes in account to oxygen permeation and strain induced by stoichiometry variation with working conditions. This model, developed within the traditional framework of phenomenological approach, is based on the assumption of strain partitions and requires only three state variables: oxygen activity, temperature and total strain. Oxygen bulk diffusion and surface exchanges are described thanks to the thermodynamic approach developed by Onsager. While many works focused on semi-permeation induced strain, the proposed model also includes the temperature effect on chemical expansion. Strains predicted by the proposed model are validated thanks to experimental test on La0.8Sr0.2Fe0.7Ga0.3O3−δ. Implemented in F.E.A code Abaqus, this model permits studying the design and the process management effects such as chemical shocks on the membrane reliability.

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Cheng, R. K., D. Littlejohn, W. A. Nazeer, and K. O. Smith. "Laboratory Studies of the Flow Field Characteristics of Low-Swirl Injectors for Adaptation to Fuel-Flexible Turbines." In ASME Turbo Expo 2006: Power for Land, Sea, and Air. ASMEDC, 2006. http://dx.doi.org/10.1115/gt2006-90878.

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The low-swirl injector (LSI) is a simple and cost-effective lean premixed combustion method for natural-gas turbines to achieve ultra-low emissions (< 5 ppm NOx and CO) without invoking tight control of mixture stoichiometry, elaborate active tip cooling or costly materials and catalysis. To gain an understanding of how this flame stabilization mechanism remains robust throughout a large range of Reynolds numbers, laboratory experiments were performed to characterize the flowfield of natural gas flames at simulated partial load conditions. Also studied was a flame using simulated landfill gas of 50% natural gas and 50% CO2. Using Particle Image Velocimetry (PIV), the non-reacting and reacting flowfields were measured at five bulk flow velocities. The results show that the LSI flowfield exhibits similarity features. From the velocity data an analytical expression for the flame position as function of the flowfield characteristics and turbulent flame speed have been deduced. It shows that the similarity feature coupled with a linear dependency of the turbulent flame speed with bulk flow velocity enable the flame to remain relatively stationary throughout the load range. This expression can be the basis for an analytical model for designing LSIs that operate on alternate gaseous fuels such as slower burning biomass gases or faster burning coal-based syngases.

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Khalil, Sarah, and Tarek M. Hatem. "Hydrogen Embrittlement Characteristics in Irradiated Stainless Steel." In ASME 2020 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2020. http://dx.doi.org/10.1115/imece2020-24081.

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Abstract Hydrogen is produced in nuclear reactors as a by-product of the corrosion reaction between the pressure vessel and the cooling water, where hydrogen produced may enter the metal in atomic form. During operation a reactor vessel is exposed to avalanche of neutron irradiation fluxes, in addition to corrosion from cooling water. A novel cluster dynamics model that accounts for off-stoichiometry of clusters and matrix was developed and applied to investigate the clustering behavior of Hydrogen-vacancy and Hydrogen-interstitial clusters in proton irradiated stainless steel has been developed. The differences in point defect migration energies and binding energy of H to lattice defects, makes it possible to have vacancy and interstitial clusters having compositions different from those of pure iron. The model predicts populations of Defect-Hydrogen complexes in iron. The model is applied to the early stage formation of voids and dislocation loops in stainless steel in the presence of atomic hydrogen. This study investigates the effect of irradiation dose and temperature on the concentration of vacancy-Hydrogen (VmHn) and Intersitial Fe-H (FemHn) complexes on bulk α-Iron. The re

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Gounder, James D., Peter Kutne, and Andrea Gruber. "Experimental Investigation of a Bluff Body Burner for Distributed Hydrogen Injection." In ASME Turbo Expo 2017: Turbomachinery Technical Conference and Exposition. American Society of Mechanical Engineers, 2017. http://dx.doi.org/10.1115/gt2017-63414.

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A novel concept for injection of gaseous hydrogen (fuel) into a stream of air (oxidant) with in low-NOx gas turbine combustion systems is proposed and tested experimentally in a laboratory bluff body (BB) burner. Instead of conventional injection nozzles, that represent undesired point sources of the highly reactive fuel, the injection concept presented in this paper employs porous steel components, with anticipation to achieve hydrogen injection into air in a compositionally diluted and spatially distributed fashion. The BB burner is tested with four different bluff bodies: three bluff bodies manufactured of solid steel and characterized by different diameters are used to chart the burner behavior in conventional, fully-premixed operation with respect to flame stoichiometry and bulk velocity; one bluff body of porous steel is used to implement and demonstrate the distributed fuel injection (BB-DFI) concept. The experimental setup consists of OH* chemiluminescence (CL) and luminescence of flame measured at kHz repetition rate (4 kHz OH* CL and 14 kHz luminescence of flame) using high-speed cameras. Stable operation of the BB-DFI burner configuration with distributed hydrogen injection is demonstrated in the equivalence ratio range of 0.3–0.5 for three bulk velocities of 15, 25 and 35 m/s with the flame anchoring downstream of the distributed injection section, on the tip of the bluff body, according to design. The flame shape observed during the initial tests suggests inadequate mixing between the fuel and carrier air in the mixing section. For comparison, three different arrangements of vortex generators are designed and manufactured to improve fuel-oxidant mixing. The effectiveness of the vortex generators in terms of mixing is investigated using laser induced fluorescence (LIF) technique and one of the vortex generator arrangement show promising improvement in fuel-oxidant mixing.

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Luhong Mao, Niefeng Sun, Xiaolong Zhou, Xiawan Wu, Weilian Guo, Ming Hu, Linxia Li, et al. "Character of non-stoichiometric InP bulk crystal." In 2004 13th International Conference on Semiconducting and Insulating Materials. IEEE, 2004. http://dx.doi.org/10.1109/sim.2005.1511376.

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Jewell, M. C. "The Upper Critical Field of Stoichiometric and Off-Stoichiometric Bulk, Binary Nb3Sn." In ADVANCES IN CRYOGENIC ENGINEERING: Transactions of the International Cryogenic Materials Conference - ICMC. AIP, 2004. http://dx.doi.org/10.1063/1.1774604.

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Furukawa, Y., M. Nakamura, S. Takekawa, K. Kitamura, T. Hatanaka, K. Nakamura, H. Ito, A. Alexandrovski, and M. M. Fejer. "Nearly stoichiometric LiTaO3 for bulk quasi-phase-matched devices." In Advanced Solid State Lasers. Washington, D.C.: OSA, 2001. http://dx.doi.org/10.1364/assl.2001.pd5.

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Bliss, David, and Piotr Becla. "Growth and characterization of bulk GaInSb crystals from non-stoichiometric melts." In Related Materials (IPRM). IEEE, 2008. http://dx.doi.org/10.1109/iciprm.2008.4703008.

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Kitamura, Kenji, Yasunori Furukawa, Shunji Takekawa, Takaaki Hatanaka, Hiromasa Ito, and Verkatraman Gopalan. "Domain switching performance of stoichiometric LiTaO3 for bulk quasi-phase matching devices." In Advanced Solid State Lasers. Washington, D.C.: OSA, 2000. http://dx.doi.org/10.1364/assl.2000.mb7.

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