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Sample records for rietveld refinement analysis

  1. Rietveld refinement and FTIR analysis of bulk ceramic Co3-xMnxO4 compositions

    Science.gov (United States)

    Meena, P. L.; Kumar, Ravi; Sreenivas, K.

    2013-02-01

    Co3-xMnxO4 (x = 0.0, 0.6, 1.2) prepared by solid state reaction method and characterized by powder X-ray diffraction (XRD) and Fourier transform infrared (FTIR). Lattice parameters (a), oxygen parameter (u), and ionic radii of cations have been determined through Rietveld analysis. Both a and u parameters are related to expansion of octahedral site as Mn content in Co3O4. Analysis of XRD data show that Mn (x ≤ 1.2) is accommodated at the octahedral site, while retaining the cubic spinel structure. FTIR results also confirm the same and signify strong interactions due to overlapping of Co and Mn octahedra.

  2. Quantitative Mineralogical Analysis of Mars Analogues Using CHEMIN Data and Rietveld Refinement

    Science.gov (United States)

    Bish, D. L.; Sarrazin, P.; Chipera, S. J.; Vaniman, D. T.; Blake, D.

    2004-01-01

    Mineralogical analysis is a critical component of planetary surface exploration. Chemical data alone leave serious gaps in our understanding of the surfaces of planets where complex minerals may form in combination with H, S, and halogens. On such planets (e.g., Mars) a single chemical composition may represent a range of mineral assemblages. For example, Viking chemical analyses of excavated duricrust indicate that Mg and S are correlated and 10% MgSO4 (anhydrous weight) is a likely cementing agent. Pathfinder chemical data support a similar abundance of MgSO4 in the most altered materials. However, there are many possible Mg-sulfates with widely varying hydration states (including dehydrated and 1-, 2-, 3-, 4-, 5-, 6-, and 7-hydrates). In addition, other sulfate minerals such as gypsum (CaSO4 .2H2O) and other salts containing Cl may also exist. X-ray diffraction (XRD) has the ability to decipher mixtures of these phases that would be difficult, if not impossible to unravel using only chemical or spectral data.

  3. Mathematical aspects of Rietveld refinement and crystal structure ...

    Indian Academy of Sciences (India)

    Administrator

    The core mathematics, goodness-of-fit parameters of Rietveld refinement technique is introduced for structural ... transducers in medical and solar applications (Obmann ..... Prince 1985 in Structure and statistics in crystallography (ed.).

  4. Rietveld analysis system RIETAN (translation)

    International Nuclear Information System (INIS)

    Izumi, Fujio

    1991-09-01

    This is the manual of the RIETAN system (a Rietveld analysis program) which is originally written in Japanese by Fujio Izumi. The manual consists of two parts. Part I is a general description of the fundamental concepts and methods of the RIETAN system. Part II is the user's manual of the RIETAN which mainly describes in detail how to create user's data sets, procedures of Rietveld analysis and how to read the results of analysis. (author)

  5. Rietveld analysis, powder diffraction and cement

    International Nuclear Information System (INIS)

    Peterson, V.

    2002-01-01

    Full text: Phase quantification of cement is essential in its industrial use, however many methods are inaccurate and/or time consuming. Powder diffraction is one of the more accurate techniques used for quantitative phase analysis of cement. There has been an increase in the use of Rietveld refinement and powder diffraction for the analysis and phase quantification of cement and its components in recent years. The complex nature of cement components, existence of solid solutions, polymorphic variation of phases and overlapping phase peaks in diffraction patterns makes phase quantification of cements by powder diffraction difficult. The main phase in cement is alite, a solid solution of tricalcium silicate. Tricalcium silicate has been found to exist in seven modifications in three crystal systems, including triclinic, monoclinic, and rhombohedral structures. Hence, phase quantification of cements using Rietveld methods usually involves the simultaneous modelling of several tricalcium silicate structures to fit the complex alite phase. An industry ordinary Portland cement, industry and standard clinker, and a synthetic tricalcium silicate were characterised using neutron, laboratory x-ray and synchrotron powder diffraction. Diffraction patterns were analysed using full-profile Rietveld refinement. This enabled comparison of x-ray, neutron and synchrotron data for phase quantification of the cement and examination of the tricalcium silicate. Excellent Rietveld fits were achieved, however the results showed that the quantitative phase analysis results differed for some phases in the same clinker sample between various data sources. This presentation will give a short introduction about cement components including polymorphism, followed by the presentation of some problems in phase quantification of cements and the role of Rietveld refinement in solving these problems. Copyright (2002) Australian X-ray Analytical Association Inc

  6. Rietveld refinement with time-of-flight powder diffraction data from pulsed neutron sources

    International Nuclear Information System (INIS)

    David, W.I.F.; Jorgensen, J.D.

    1990-10-01

    The recent development of accelerator-based pulsed neutron sources has led to the widespread use of the time-of-flight technique for neutron powder diffraction. The properties of the pulsed source make possible unusually high resolution over a wide range of d spacings, high count rates, and the ability to collect complete data at fixed scattering angles. The peak shape and other instrument characteristics can be accurately modelled, which make Rietveld refinement possible for complex structures. In this paper we briefly review the development of the Rietveld method for time-of-flight diffraction data from pulsed neutron sources and discuss the latest developments in high resolution instrumentation and advanced Rietveld analysis methods. 50 refs., 12 figs., 14 tabs

  7. Analysis of Polymorphic Nanocrystals of TiO2 by X-Ray Rietveld Refinement and High-Resolution Transmission Electron Microscopy: Acetaldehyde Decomposition

    Directory of Open Access Journals (Sweden)

    R. Carrera

    2008-01-01

    Full Text Available In this work, TiO2 nanocrystals were synthesized by the sol-gel method. These materials were annealed at 200 and 500∘C; and characterized by the XRD-Rietveld refinement; and by BET and TEM. As for the low-temperature-treated sample (200∘C, nanocrystals with small crystallite sizes (7 nm and high abundance of anatase, coexisting with the brookite phase, were obtained. Meanwhile, the sample annealed at 500∘C showed an increased crystallite size (22 nm and an important polymorphic increment. The sample annealed at 200∘C showed a high activity in the photocatalytic decomposition of acetaldehyde.

  8. Characterization of barium titanate powder doped with sodium and potassium ions by using Rietveld refining

    International Nuclear Information System (INIS)

    Andrade, M.C.; Assis, J.T.; Pereira, F.R.

    2009-01-01

    A solid-reaction synthesis of doped barium titanate was done by employing barium carbonates, sodium, potassium and titanium oxides with classic procedures. Rietveld refining of X ray diffraction data of perovskite samples with tetragonal symmetry was applying and show good agreement. Besides, the treatment performed from 600 deg C produces nanocrystals of barium titanate with average size of 33 nm. The presence of endothermic peaks related to BaTiO 3 formation at relatively low temperatures was determined by thermal analysis. A pseudo-Voigt Thompson-Cox-Hastings function was used to fit the standard samples of barium titanate. The Rietveld method has showed be efficient to detect the influences of temperature and doping on barium titanate microstructures. (author)

  9. Rietveld refinement of magnetic structures from pulsed-neutron-source powder-diffraction data

    International Nuclear Information System (INIS)

    Robinson, R.A.; Lawson, A.C.; Larson, A.C.; Von Dreele, R.B.; Goldstone, J.A.

    1994-01-01

    The General Structure Analysis System, GSAS, has recently been modified to include magnetic neutron- scattering cross-sections. Low-temperature diffraction data have been taken on the hexagonal noncollinear antiferromagnet UPdSn on both the HIPD and the NPD powder diffractometers ail LANSCE. The low-resolution data reveal that the magnetic structure has orthorhombic symmetry (magnetic space group P c m'c2 1 ) between 25K and 40K, and monoclinic symmetry (magnetic space group PC 1121 ) below 25K. The high-resolution data reveal that there are structural distortions with corresponding symmetry changes in each of these phases, to give chemical space groups Cmc2 1 and P2 1 , respectively, while the paramagnetic phase above 40K has space group P6 3 mc. Using GSAS, we have refined data sets from both diffractometers simultaneously, including both magnetic and structural cross-sections. Magnetoelastic coefficients for the distortions have been extracted and we have determined the sign of the coupling between the structural monoclinicity and the magnetic monoclinicity. The magnetic results from Rietveld refinement are in good agreement with model fitting to the integrated intensities of seven independent magnetic reflections and these, in turn, agree with measurements made on the same sample using the constant-wavelength reactor technique. Our results therefore validate, to some level, both the technique of using spallation sources for complicated magnetic structures and the specifics of the GSAS Rietveld code

  10. Profex: a graphical user interface for the Rietveld refinement program BGMN

    OpenAIRE

    Doebelin, Nicola; Kleeberg, Reinhard

    2015-01-01

    Profex is a graphical user interface for the Rietveld refinement program BGMN. Its interface focuses on preserving BGMN’s powerful and flexible scripting features by giving direct access to BGMN input files. Very efficient workflows for single or batch refinements are achieved by managing refinement control files and structure files, by providing dialogues and shortcuts for many operations, by performing operations in the background, and by providing import filters for CIF and XML crystal str...

  11. Profile agreement indices in Rietveld and pattern-fitting analysis

    International Nuclear Information System (INIS)

    Hill, R.J.; Fischer, R.X.

    1990-01-01

    Two definitions of profile agreement indices are now in common use for estimating the degree of fit in Rietveld refinement and in structure-independent pattern-fitting methods of powder diffraction analysis. In the original program written by Rietveld, the background was subtracted and the 'non-peak' regions of the pattern were removed from further consideration in a preliminary data-reduction stage prior to structure refinement. However, the agreement indices used in many of the more recent programs retain the background counts in the observed step intensities and include all portions of the pattern in the sums. These latter definitions are strongly dependent on the signal-to-noise ratio and on the relative amount of 'background-only' regions and do not, therefore, provide a sound basis for comparing the degree of fit of peak profile and crystal structure model refinements in the general case. The extent of this dependence is illustrated quantitatively using conventional and synchrotron X-ray and constant-wavelength and time-of-flight neutron data sets with different inherent background levels and peak densities. The unweighted background-corrected peak-only profile agreement index R' p =Σ i vertical strokeY io -Y ic vertical stroke/Σ i vertical strokeY io -Y ib vertical stroke (and, to a lesser extent, its weighted equivalent) is recommended as the most appropriate criterion of fit for comparative work between diffraction patterns of all kinds. (orig.)

  12. Magnesium substitution in carbonated hydroxyapatite: Structural and microstructural characterization by Rietveld's refinement

    Energy Technology Data Exchange (ETDEWEB)

    Lala, S. [Materials Science Division, Department of Physics, The University of Burdwan, Golapbag, Burdwan 713104, West Bengal (India); Ghosh, M.; Das, P.K. [Department of Biological Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700 032 (India); Das, D. [UGC-DAE Consortium for Scientific Research, Kolkata 700098 (India); Kar, T. [Department of Materials Science, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032 (India); Pradhan, S.K., E-mail: skpradhan@phys.buruniv.ac.in [Materials Science Division, Department of Physics, The University of Burdwan, Golapbag, Burdwan 713104, West Bengal (India)

    2016-02-15

    Four stoichiometric compositions of nanocrystalline Mg doped carbonated hydroxyapatite (cHAp) powders are synthesized by mechanical alloying (ball milling) the powder mixtures of CaCO{sub 3}, CaHPO{sub 4}.2H{sub 2}O and MgO in open air at room temperature. FTIR analysis confirms the A-type carbonation in all milled HAp powder samples (A-cHAp). Microstructure characterization in terms of lattice imperfections and phase quantification of ball milled samples are made by analyzing XRD patterns employing Rietveld's structure refinement method. Transmission electron microscopy (TEM) study of 15 mol % Mg doped A-cHAp sample reveals microstructure similar to that obtained from XRD pattern analysis. Cumulative effect of Mg substitution and mechanical alloying results in amorphization of a major part of crystalline A-cHAp, analogous to native bone mineral. Rietveld analysis reveals that the Ca2 vacancy site is energetically more favorable for occupation of Mg substitution. MTT [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide] assay test reveals sufficiently high percentage cell viability confirming the cytocompatibility of the sample. - Graphical abstract: Mg substitution for Ca2 site. - Highlights: • Single phase Mg doped A-cHAp synthesized by mechanical alloying (MA). • FTIR analysis confirms A-type carbonation in HAp. • Amorphization of a part of crystalline A-cHAp due to MA and Mg insertion. • Mg{sup 2+} ions substitute the Ca2 vacancy site. • High cell viability under MTT assay.

  13. Modulation wave approach to the structural parameterization and Rietveld refinement of low carnegieite

    International Nuclear Information System (INIS)

    Withers, R.L.; Thompson, J.G.

    1993-01-01

    The crystal structure of low carnegieite, NaAlSiO 4 [M r =142.05, orthorhombic, Pb2 1 a, a=10.261(1), b=14.030(2), c=5.1566(6) A, D x =2.542 g cm -3 , Z=4, Cu Kα 1 , λ=1.5406 A, μ=77.52 cm -1 , F(000)=559.85], is determined via Rietveld refinement from powder data, R p =0.057, R wp =0.076, R Bragg =0.050. Given that there are far too many parameters to be determined via unconstrained Rietveld refinement, a group theoretical or modulation wave approach is used in order to parameterize the structural deviation of low carnegieite from its underlying C9 aristotype. Appropriate crystal chemical constraints are applied in order to provide two distinct plausible starting models for the structure of the aluminosilicate framework. The correct starting model for the aluminosilicate framework as well as the ordering and positions of the non-framework Na atoms are then determined via Rietveld refinement. At all stages, chemical plausibility is checked via the use of the bond-length-bond-valence formalism. The JCPDS file number for low carnegieite is 44-1496. (orig.)

  14. Quantitative phase analysis of a highly textured industrial sample using a Rietveld profile analysis

    International Nuclear Information System (INIS)

    Shin, Eunjoo; Huh, Moo-Young; Seong, Baek-Seok; Lee, Chang-Hee

    2001-01-01

    For the quantitative phase analysis on highly textured two-phase materials, samples with known weight fractions of zirconium and aluminum were prepared. Strong texture components prevailed in both zirconium and aluminum sheet. The diffraction patterns of samples were measured by the neutron and refined by the Rietveld method. The preferred orientation correction of diffraction patterns was carried out by means of recalculated pole figures from the ODF. The present Rietveld analysis of various samples with different weight fractions showed that the absolute error of the calculated weight fractions was less than 7.1%. (author)

  15. Profex: a graphical user interface for the Rietveld refinement program BGMN.

    Science.gov (United States)

    Doebelin, Nicola; Kleeberg, Reinhard

    2015-10-01

    Profex is a graphical user interface for the Rietveld refinement program BGMN . Its interface focuses on preserving BGMN 's powerful and flexible scripting features by giving direct access to BGMN input files. Very efficient workflows for single or batch refinements are achieved by managing refinement control files and structure files, by providing dialogues and shortcuts for many operations, by performing operations in the background, and by providing import filters for CIF and XML crystal structure files. Refinement results can be easily exported for further processing. State-of-the-art graphical export of diffraction patterns to pixel and vector graphics formats allows the creation of publication-quality graphs with minimum effort. Profex reads and converts a variety of proprietary raw data formats and is thus largely instrument independent. Profex and BGMN are available under an open-source license for Windows, Linux and OS X operating systems.

  16. Rietveld refinement of Y2O3 using the pearson VII profile shape function

    International Nuclear Information System (INIS)

    Smrcok, L.

    1989-01-01

    Very good agreement between the observed and the calculated intensities was obtained using the Pearson VII profile shape function. The variable exponent m could be refined only in the damped iterations involving exclusively the profile parameters. Simultaneous refinement of the m with the positional and/or thermal parameters has led to large oscillations of the shifts of almost all parameters. Precision of the refined atomic coordinates is better than those from previously published Rietveld refinement and is comparable with single crystal results. The degree of serial correlation in residuals has been determined by the use of the Durbin-Watson d statistic. Normal probability plot based on δR i has been almost linear with the slope greater than one. The weighting scheme with w i = 1/y oi has proved to be good first approximation. (author)

  17. Chemical analysis of superconductor material by Rietveld method; Analise quimica de material superconductor atraves do metodo de Rietveld

    Energy Technology Data Exchange (ETDEWEB)

    Garcia Junior, E.S.; Gomes Junior, G.G.; Ogasawara, T., E-mail: georges@metalmat.ufrj.b [Universidade Federal do Rio de Janeiro (COPPE/UFRJ), RJ (Brazil). Coordenacao dos Programas de Pos-Graduacao de Engenharia. Dept. de Eng. Metalurgica e Materiais; Bispo, E.R.; Polasek, A. [Centro de Pesquisas de Energia Eletrica (CEPEL), Rio de Janeiro, RJ (Brazil); Amorim, H.S. [Universidade Federal do Rio de Janeiro (IF/UFRJ), RJ (Brazil). Inst. de Fisica

    2010-07-01

    Among the main superconducting systems, the system Bi-Sr-Ca-Cu-O is extremely important because it presents two stages of high superconducting critical temperature. To manufacture samples of the superconducting phase (Bi, Pb){sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}Ox (Bi-2223) were used oxides and carbonates of high purity. The mixture was calcined and sintered for 100-200h in air. To characterize the material we used X-ray diffraction, SEM / EDS and measurement of critical temperature (Tc). The Rietveld method was used for structure refinement, and quantification of phases and to estimate the chemical composition of samples in order to obtain greater control of chemical composition using only the data of X-ray diffraction. The results were compared with the refinement results of X-ray fluorescence and was observed a discrepancy of about 8%. This result indicates that the Rietveld method can be an interesting alternative to perform chemical analysis. (author)

  18. Possibilities and limitations of parametric Rietveld refinement on high pressure data. The case study of LaFeO3

    International Nuclear Information System (INIS)

    Etter, Martin; Mueller, Melanie; Dinnebier, Robert E.; Hanfland, Michael

    2014-01-01

    Parametric Rietveld refinement is a powerful technique to apply directly physical or empirical equations to the refinement of in situ powder diffraction data. In order to investigate the possibilities and limitations of parametric Rietveld refinements for high pressure data four competitive crystallographic approaches were used to carry out a full structural investigation of the orthoferrite LaFeO 3 (Pbnm at ambient conditions) under high pressure up to 47 GPa. Approach A with traditional Rietveld refinement using atomic coordinates, Approach B where the Rietveld refinement was done by using the rigid body method, Approach C where symmetry modes were used and Approach D where the newly developed method of the rotational symmetry mode description for a rigid body was used. For all approaches sequential as well as parametric refinements were carried out, confirming a second order phase transition of LaFeO 3 to a higher symmetric phase (space group Ibmm) at around 21.1?GPa and an isostructural first order phase transition at around 38 GPa. Limitations due to non-hydrostatic conditions as well as the possibilities of a direct modeling of phase transitions with parametric Rietveld refinement are discussed in detail. (orig.)

  19. Full quantitative phase analysis of hydrated lime using the Rietveld method

    International Nuclear Information System (INIS)

    Lassinantti Gualtieri, Magdalena; Romagnoli, Marcello; Miselli, Paola; Cannio, Maria; Gualtieri, Alessandro F.

    2012-01-01

    Full quantitative phase analysis (FQPA) using X-ray powder diffraction and Rietveld refinements is a well-established method for the characterization of various hydraulic binders such as Portland cement and hydraulic limes. In this paper, the Rietveld method is applied to hydrated lime, a non-hydraulic traditional binder. The potential presence of an amorphous phase in this material is generally ignored. Both synchrotron radiation and a conventional X-ray source were used for data collection. The applicability of the developed control file for the Rietveld refinements was investigated using samples spiked with glass. The results were cross-checked by other independent methods such as thermal and chemical analyses. The sample microstructure was observed by transmission electron microscopy. It was found that the consistency between the different methods was satisfactory, supporting the validity of FQPA for this material. For the samples studied in this work, the amount of amorphous material was in the range 2–15 wt.%.

  20. Full quantitative phase analysis of hydrated lime using the Rietveld method

    Energy Technology Data Exchange (ETDEWEB)

    Lassinantti Gualtieri, Magdalena, E-mail: magdalena.gualtieri@unimore.it [Dipartimento Ingegneria dei Materiali e dell' Ambiente, Universita Degli Studi di Modena e Reggio Emilia, Via Vignolese 905/a, I-41100 Modena (Italy); Romagnoli, Marcello; Miselli, Paola; Cannio, Maria [Dipartimento Ingegneria dei Materiali e dell' Ambiente, Universita Degli Studi di Modena e Reggio Emilia, Via Vignolese 905/a, I-41100 Modena (Italy); Gualtieri, Alessandro F. [Dipartimento di Scienze della Terra, Universita Degli Studi di Modena e Reggio Emilia, I-41100 Modena (Italy)

    2012-09-15

    Full quantitative phase analysis (FQPA) using X-ray powder diffraction and Rietveld refinements is a well-established method for the characterization of various hydraulic binders such as Portland cement and hydraulic limes. In this paper, the Rietveld method is applied to hydrated lime, a non-hydraulic traditional binder. The potential presence of an amorphous phase in this material is generally ignored. Both synchrotron radiation and a conventional X-ray source were used for data collection. The applicability of the developed control file for the Rietveld refinements was investigated using samples spiked with glass. The results were cross-checked by other independent methods such as thermal and chemical analyses. The sample microstructure was observed by transmission electron microscopy. It was found that the consistency between the different methods was satisfactory, supporting the validity of FQPA for this material. For the samples studied in this work, the amount of amorphous material was in the range 2-15 wt.%.

  1. Crystal structure refinement of Ba5Nb4O15 and Ba5Nb4O15-x by Rietveld analysis of neutron and X-ray diffraction data

    International Nuclear Information System (INIS)

    Pagola, S.; Leyva, G.; Casais, M.T.; Alonso, J.A.; Rasines, I.; Carbonio, R.E.

    1996-01-01

    Both X-ray and neutron diffraction data were analyzed by the Rietveld method, taking as starting structural model that of the Ba 5 Ta 4 O 15 structure. The results of such an analysis show that the progressive elimination of oxygen ions produce only small changes in the structure. A decrease in the unit-cell parameters as the number of oxygen vacancies increases has been observed, which can be correlated with a gradual loss of oxygen ions in the close-packed layers. No ordering of the oxygen vacancies was found even in the sample with the highest x value, x=0.56. (orig.)

  2. Determination of Cation Distributions in Mineral Structures by use of the Rietveld Full-Profile Refinement Technique

    International Nuclear Information System (INIS)

    Nord, A.G.

    1986-01-01

    Use of the Rietveld full-profile refinement technique with X-ray or neutron powder diffraction data for the determination of divalent-metal cation distributions in three mineral structure types (farringtonite, grafonite, sarcopside) is demonstrated. The accuracy of the conventional cation distribution coefficient Ksub(D) is about 5-10 percent with 24-46 parameters to be refined, and the averaged metal-oxygen distances are reliable and well correlated to the observed cation distribution pattern. In particular the usefulness of the Rietveld technique in combination with Moessbauer spectroscopy is stressed. Some concluding remarks are also given

  3. In-situ high-energy X-ray diffraction and batch Rietveld refinement of phase changes in titanium aluminides

    International Nuclear Information System (INIS)

    Whitfield, R.

    2007-01-01

    Full text: We have used the Rietveld refinement method for the analysis of high-energy X-ray power diffraction for quantitatve phase analysis. This method has the advantage of being able to model the multiple phases appearing in the diffraction pattern and tell us about the composition of the phases of a sample as we change the temperature. It has been applied to various TiAl compounds allowing us to follow in detail the phase transitions of the intermetallics when heated to around 1400 0 Cand subsequently cooled. Small amounts of additives like V, Cr and Gd as well as signatures from different production processes can be seen to have an effect on the phase transitions. With increasing temperature we can see the evolution of the unit cell due to thermal expansion, chemical segregation and the relative proportion of phase changes

  4. Characterization of barium titanate powder doped with sodium and potassium ions by using Rietveld refining; Caracterizacao do po de titanato de bario dopado com ions sodio e potasio com o refinamento de Rietveld

    Energy Technology Data Exchange (ETDEWEB)

    Andrade, M.C.; Assis, J.T.; Pereira, F.R., E-mail: mcalixto@iprj.uerj.b [Universidade do Estado do Rio de Janeiro (IPRJ/UERJ), Nova Friburgo, RJ (Brazil). Instituto Politecnico; Araujo, J.C. [Universidade do Estado do Rio de Janeiro (FFP/UERJ), Sao Goncalo, RJ (Brazil). Fac. de Formacao de Professores; Moreira, E.L.; Moraes, V.C.A.; Lopes, A.R. [Centro Brasileiro de Pesquisas Fisicas (CBPF/MCT), Rio de Janeiro, RJ (Brazil)

    2009-07-01

    A solid-reaction synthesis of doped barium titanate was done by employing barium carbonates, sodium, potassium and titanium oxides with classic procedures. Rietveld refining of X ray diffraction data of perovskite samples with tetragonal symmetry was applying and show good agreement. Besides, the treatment performed from 600 deg C produces nanocrystals of barium titanate with average size of 33 nm. The presence of endothermic peaks related to BaTiO{sub 3} formation at relatively low temperatures was determined by thermal analysis. A pseudo-Voigt Thompson-Cox-Hastings function was used to fit the standard samples of barium titanate. The Rietveld method has showed be efficient to detect the influences of temperature and doping on barium titanate microstructures. (author)

  5. Rietveld refinement of the crystal structures of Rb2XSi5O12 (X = Ni, Mn

    Directory of Open Access Journals (Sweden)

    Anthony M. T. Bell

    2016-02-01

    Full Text Available The synthetic leucite silicate framework mineral analogues Rb2XSi5O12 {X = Ni [dirubidium nickel(II pentasilicate] and Mn [dirubidium manganese(II pentasilicate]} have been prepared by high-temperature solid-state synthesis. The results of Rietveld refinements, using X-ray powder diffraction data collected using Cu Kα X-rays, show that the title compounds crystallize in the space group Pbca and adopt the cation-ordered structure of Cs2CdSi5O12 and other leucites. The structures consist of tetrahedral SiO4 and XO4 units sharing corners to form a partially substituted silicate framework. Extraframework Rb+ cations sit in channels in the framework. All atoms occupy the 8c general position for this space group. In these refined structures, silicon and X atoms are ordered onto separate tetrahedrally coordinated sites (T-sites. However, the Ni displacement parameter and the Ni—O bond lengths suggest that for the X = Ni sample, there may actually be some T-site cation disorder.

  6. Rietveld analysis and electronic bands structure on Tc superconductors systems

    International Nuclear Information System (INIS)

    Aldea, N.; Tiusan, C. V.; Sandu, V.

    1999-01-01

    A procedure for simultaneous refinement of structural and micro-structural disorder parameters for polycrystalline YBa 2 Cu 3 O 7-x system is proposed. It is based on Rietveld method combined with Fourier analysis for broadened peaks Another purpose of this paper consists in electronic structure determination studied by using the self-consistent Tight Binding Linear Muffin-Tin Orbital Atomic Spheres Approximation TB-LMTO-ASA methods. The Rietveld method uses an analytical function that describes the profiles, usually pseudo-Voigt (pV) or Pearson VII (PVII). The parameters of the analytical profiles describe its amplitude, position and peak shape. The full width at half maximum (FWHM) is supposed to vary with the diffraction angle in agreement with the Caglioti, Paoletti and Ricci's relationship. The best structural parameters are determined in the least squares sense by the minimisation a classical residual using the Marquardt method. In this case, the peak profiles were modelled by the pseudo-Voigt function corrected by the instrumental asymmetry. The physical information obtained are: scale factor, lattice parameters, atomic position and displacements, atomic occupation numbers, temperature factor (isotropy or anisotropy), preferred orientation parameter, crystalline size and micro-strain along different crystallographic directions, distributions of crystallite size and micro-strain functions. This procedure was implemented on computer code and it has a friendly graphical interface based on pull down menus technique. From the experimental point of view the X-ray diffraction data were collected using a horizontal powder diffractometer in the Bragg-Brentano (BB) geometry with a Ni filtered CuKα, λ = 1.54178 A, at room temperature using a DRON 2 set-up. The diffraction profiles were measured with a proportional gas detector, a single channel pulse-height discrimination and a standard associated counting circuit. The electronic band calculations are based on the TB

  7. Structural Rietveld refinement and vibrational study of MgCr{sub x}Fe{sub 2−x}O{sub 4} spinel ferrites

    Energy Technology Data Exchange (ETDEWEB)

    Sabri, K. [Laboratoire des Sciences et technique de l’Environnement et de la Valorisation, département de Génie des Procédés, Université de Mostaganem, Mostaganem (Algeria); Rais, A., E-mail: amrais@yahoo.com [Laboratoire des Sciences et technique de l’Environnement et de la Valorisation, département de Génie des Procédés, Université de Mostaganem, Mostaganem (Algeria); Taibi, K. [Laboratoire de Science et Génie des Matériaux, USTHB, Alger, Algéria (Algeria); Moreau, M.; Ouddane, B. [Laboratory of LASIR Spectrochemistry, University of Science and Technology, 59650 Villeneuve d’Ascq (France); Addou, A. [Laboratoire des Sciences et technique de l’Environnement et de la Valorisation, département de Génie des Procédés, Université de Mostaganem, Mostaganem (Algeria)

    2016-11-15

    Spinel ferrites with the general formula MgCr{sub x}Fe{sub 2−x}O{sub 4} (0≤x≤1) were synthesized by the standard ceramic technique and characterized by X-ray diffraction. The XRD patterns confirmed that the mixed ferrite samples are in the cubic spinel structure which is further validated by Rietveld refinement in the space group Fd3m. The crystal structure and cell parameters were refined by Rietveld analysis. The vibrational study was achieved using Fourier Transform-InfraRed (FT-IR) and Raman spectroscopy. From FT-IR band frequencies, the force constants K{sub t} and K{sub o} , for tetrahedral (A) and octahedral (B) sites respectively, have been calculated and discussed with the trend of bond lengths obtained from Rietveld refinement. For all compositions, Raman spectra revealed the five active modes showing the vibration of O{sup 2−} ions at both the A-site and B-site ions. The frequencies trend with chromium content of both FT-IR and Raman spectra showed a shift toward higher values for all modes.

  8. The role of iron in tetrahedrite and tennantite determined by Rietveld refinement of neutron powder diffraction data

    DEFF Research Database (Denmark)

    Andreasen, Jens Wenzel; Makovicky, Emil; Lebech, Bente

    2008-01-01

    Rietveld refinement of neutron powder diffraction data on four samples of synthetic, iron-bearing tetrahedrite (Cu12-xFexSb4S13) with x = 0.28, 0.69, 0.91, 2.19 and four samples of synthetic tennantite (Cu12-xFexAs4S13) with x = 0.33, 0.38, 0.86, 1.5 indicate unambiguously that iron is incorporated...

  9. Refinement by Rietveld method of a rolled sheet Al-Mg-Si 6063 alloy with preferential orientation

    International Nuclear Information System (INIS)

    Carrio, J.A.G.; Hattori, C.S.; Miranda, L.F.; Domingues Junior, N.I.; Lima, N.B.; Couto, A.A.; Aguiar, A.A.

    2010-01-01

    The Rietveld refinement of a sample with preferential orientation was accomplished using data of X ray diffraction of a rolled 6063 aluminum alloy. The refinement of the preferential orientation by spherical harmonic was accomplished using a symmetry of sample mmm (rolling) until the order of 8 and was compared with experimental pole figures. The four pole figures presented indicate a sharp texture of the planes (111), (200), (220) and (311). The calculated pole figures obtained from the refinement of the X ray diffraction spectrum can incur in mistakes of preferential orientation. This happens because the measure is restricted to the planes parallel to the surface without inference to the symmetry of the sample. (author)

  10. Possibilities and limitations of parametric Rietveld refinement on high pressure data. The case study of LaFeO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Etter, Martin; Mueller, Melanie; Dinnebier, Robert E. [Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany); Hanfland, Michael [European Synchrotron Radiation Facility (ESRF), Grenoble (France)

    2014-04-01

    Parametric Rietveld refinement is a powerful technique to apply directly physical or empirical equations to the refinement of in situ powder diffraction data. In order to investigate the possibilities and limitations of parametric Rietveld refinements for high pressure data four competitive crystallographic approaches were used to carry out a full structural investigation of the orthoferrite LaFeO{sub 3} (Pbnm at ambient conditions) under high pressure up to 47 GPa. Approach A with traditional Rietveld refinement using atomic coordinates, Approach B where the Rietveld refinement was done by using the rigid body method, Approach C where symmetry modes were used and Approach D where the newly developed method of the rotational symmetry mode description for a rigid body was used. For all approaches sequential as well as parametric refinements were carried out, confirming a second order phase transition of LaFeO{sub 3} to a higher symmetric phase (space group Ibmm) at around 21.1?GPa and an isostructural first order phase transition at around 38 GPa. Limitations due to non-hydrostatic conditions as well as the possibilities of a direct modeling of phase transitions with parametric Rietveld refinement are discussed in detail. (orig.)

  11. Determination of phases of {alpha} - Fe{sub 2}O{sub 3}: SiO{sub 2} compound by the Rietveld refinement

    Energy Technology Data Exchange (ETDEWEB)

    Palomares S, S.A. [Istituto Materiali Speciali per Elettronica e Magnetismo (MASPEC), Parco Area delle Scienze 37A-43010 Loc. Fontanni, Parma (Italy); Ponce C, S.; Martinez, J.R. [Facultad de Ciencias, Universidad Autonoma de San Luis Potosi, 78000 San Luis Potosi (Mexico); Ruiz, F. [Instituto Potosino de Investigacion Cientifica y Tecnologica, Av. V. Carranza 2025, San Luis Potosi (Mexico)

    2002-07-01

    We use a variation of the Rietveld refinement method to calculate the amorphous content of composites formed by a silica xerogel amorphous matrix and iron particles embedded into. In order to apply the Rietveld refinement to amorphous structures an initial crystalline model is assumed with the same composition as the material to be modelled. In this work we try to refine the structure of compounds using the program MAUD. It is shown how this program can be used to determine the amorphous and crystalline fractions in composites consisting of an amorphous matrix and incorporated iron oxide particles. The analysed compounds underwent different thermal treatments. (Author)

  12. Crystal phase analysis of SnO2-based varistor ceramic using the Rietveld method

    International Nuclear Information System (INIS)

    Moreira, M.L.; Pianaro, S.A.; Andrade, A.V.C.; Zara, A.J.

    2006-01-01

    A second addition of l mol% of CoO to a pre calcined SnO 2 -based ceramic doped with 1.0 mol% of CoO, 0.05 mol% of Nb 2 O 5 and 0.05 mol% of Cr 2 O 3 promotes the appearance of a secondary phase, Co 2 SnO 4 , besides the SnO 2 cassiterite phase, when the ceramic was sintered at 1350 deg. C/2 h. This was observed using X-ray powder diffraction, scanning electron microscopy and energy dispersive X-ray techniques. Rietveld refinement was carried out to quantify the phases present in the ceramic system. The results of the quantitative analysis were 97 wt.% SnO 2 and 3 wt.% Co 2 SnO 4 . The microstructural analysis showed that a certain amount of cobalt ion remains into cassiterite grains

  13. Structural studies of TiC1−xOx solid solution by Rietveld refinement and first-principles calculations

    International Nuclear Information System (INIS)

    Jiang, Bo; Hou, Na; Huang, Shanyan; Zhou, Gege; Hou, Jungang; Cao, Zhanmin; Zhu, Hongmin

    2013-01-01

    The lattice parameters, structural stability and electronic structure of titanium oxycarbides (TiC 1−x O x , 0≤x≤1) solid solution were investigated by Rietveld refinement and first-principles calculations. Series of TiC 1−x O x were precisely synthesized by sintering process under the vacuum. Rietveld refinement results of XRD patterns show the properties of continuous solid solution in TiC 1−x O x over the whole composition range. The lattice parameters vary from 0.4324 nm to 0.4194 nm decreasing with increasing oxygen concentration. Results of first-principles calculations reveal that the disorder C/O structure is stable than the order C/O structure. Further investigations of the vacancy in Ti 1−Va (C 1−x O x ) 1−Va solid solution present that the structure of vacancy segregated in TiO-part is more stable than the disorder C/O structure, which can be ascribed to the Ti–Ti bond across O-vacancy and the charge redistributed around Ti-vacancy via the analysis of the electron density difference plots and PDOS. - Graphical abstract: XRD of series of titanium oxycarbides (TiC 1−x O x , 0≤x≤1) solid solution prepared by adjusting the proportion of TiO in the starting material. Highlights: • Titanium oxycarbides were obtained by sintering TiO and TiC under carefully controlled conditions. • Rietveld refinement results show continuous solid solution with FCC structure in TiC 1−x O x . • The disorder C/O structure is stable than the order C/O structure. • Introduction of vacancy segregated in TiO-part is more stable than disorder C/O structure. • Ti–Ti bond across O-vacancy and the charge redistributed around Ti-vacancy enhance structural stability

  14. Rietveld structure refinement and elastic properties of MgAlxCrxFe2-2xO4 spinel ferrites

    Science.gov (United States)

    Thummer, K. P.; Tanna, Ashish R.; Joshi, Hiren H.

    2017-05-01

    MgAlxCrxFe2-2xO4 (x = 0.1, 03 & 0.6) ferrites are synthesized by solid state reaction method. The Rietveld refinement of X-ray diffraction (XRD) data confirms the cubic spinel structure with Fd3m space group. The Fourier Transform Infrared Transmission Spectroscopy (FTIR) is employed to study elastic properties of present systems at 300K. The force constants for tetrahedral (A) and octahedral (B) sites of the spinel lattice are determined by infrared spectral and X-ray diffraction analysis. The elastic constants like bulk modulus, rigidity modulus, Young's modulus, Poisson's ratio and Debye temperature are determined. The vibrational frequency of both the interstitial sites increases as Al-Cr content increases hence the force constant and elastic moduli for all the samples are found to increase for the present ferrite system.

  15. Refinement of the crystal structure of lead titanate with different degrees of imperfection of cationic and anionic sublattices by the Rietveld method

    International Nuclear Information System (INIS)

    Akimov, A.I.; Savchuk, G.K.; Rubtsov, V.A.; Letko, A.K.

    2003-01-01

    The parameters of the crystal structure of lead titanate with different degrees of imperfection of the anionic and cationic sublattices are refined by the Rietveld method. The experiments are carried out on a DRON-4 diffractometer (CuK α radiation; 20 deg. d 5.0-6.0%

  16. Quantitative study of Portland cement hydration by X-ray diffraction/Rietveld analysis and independent methods

    International Nuclear Information System (INIS)

    Scrivener, K.L.; Fuellmann, T.; Gallucci, E.; Walenta, G.; Bermejo, E.

    2004-01-01

    X-ray diffraction (XRD) is a powerful technique for the study of crystalline materials. The technique of Rietveld refinement now enables the amounts of different phases in anhydrous cementitious materials to be determined to a good degree of precision. This paper describes the extension of this technique to a pilot study of the hydration of a typical Portland cement. To validate this XRD-Rietveld analysis technique, its results were compared with independent measures of the same materials by the analysis of backscattered electron images (BSE/IA) and thermogravimetric analysis (TGA). In addition, the internal consistency of the measurements was studied by comparing the XRD estimates of the amounts of hydrates formed with the amounts expected to form from the XRD estimates of the amounts of anhydrous materials reacted

  17. Synthesis and refinement of ferroelectric ceramic BaBi4Ti4O15 (BBT) using Rietveld Methods

    International Nuclear Information System (INIS)

    Silva, P.M.O.; Sales, A.J.M.; Carneiro, J.C.S.; Sancho, E.O.; Sales, J.C.; Sombra, A.S.B.

    2012-01-01

    The lead zirconate titanate (PZT) has potential application in nonvolatile ferroelectric memory and capacitors, however this material is linked to environmental pollution. In order to remedy this problem, we propose the synthesis of the compound, BaBi 4 TI 4 O 15 (BBT) because of similarity to PZT. The phase of the BBT has been prepared by the method of solid state. Reagents (BaCO 3 , Bi 2 O 3 and TiO 2 ) were ground for 6 hours at 360 rpm in a planetary ball mill and suffered high energy heat treatment for 2 hours at temperatures of 850, 900, 950 and 1000 ° C. The calcined powder was characterized by X-ray diffraction (XRD) and refined by the program DBWSTools 2.3 Beta based on the Rietveld method. The results obtained confirmed the refinement of the single-phase with tetragonal structure BaBi 4 TI 4 O 15 for all samples. The sample calcined at 950 °C presented the best densification (7.508 g/cm³). (author)

  18. Effect of data quality on quantitative phase analysis (QPA) using the Rietveld method

    International Nuclear Information System (INIS)

    Scarlett, N.; Madsen, I.; Lwin, T.

    1999-01-01

    Full text: Quantitative phase analysis using the Rietveld method has become a valuable tool in modern X-ray diffraction. XRD is a recognised research tool and has been successfully employed in the developmental stages of many industrial processes. It is now becoming increasingly important as a means of process control either (i) in site quality control laboratories or (ii) even on-line. In on-line applications, the optimisation of data collection regimes is of critical importance if rapid turn-around, and hence timely process control, is to be achieved. This paper examines the effect of data quality on the quantification of phases in well characterised suites of minerals. A range of data collection regimes has been systematically investigated with a view to determining the minimum data required for acceptable quantitative phase analyses. Data has been collected with variations in the following process factors: 1st step, width ranging from 0.01 to 0.3 deg 2θ ;2nd step, counting time ranging from 0.0125 to 4 sec/step 3rd step, upper limit in the scan range varying from 40 to 148 deg 2θ. The data has been analysed using whole-pattern (Rietveld) based methods using two distinctly different analytical approaches: (i) refinement of only pattern background and individual scale factors for each phase; (ii) refinement of unit cell dimensions, overall thermal parameters, peak width and shape in addition to the background and scale factors. The experimental design for this work included a ternary design of the three component phases (fluorite, CaF 2 ; zincite, ZnO; corundum, Al 2 O 3 ) to form seven mixtures of major and minor phases of different scattering powers and the combination of the three process factors (variables) to form a factorial plan. The final data generation plan is a combination/crossing of the three process variable factorial plan with the three component mixture plan. It allows a detailed data analysis to provide information on the effect of the process

  19. Rietveld refinement and dielectric relaxation of a new rare earth based double perovskite oxide: BaPrCoNbO{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Bharti, Chandrahas, E-mail: bharti.chandrahas@gmail.com [Sensor and Actuator Division, CSIR-Central Glass and Ceramic Research Institute, 196, Raja SC Mullick Road, Kolkata 700032 (India); Das, Mrinmoy K.; Sen, A. [Sensor and Actuator Division, CSIR-Central Glass and Ceramic Research Institute, 196, Raja SC Mullick Road, Kolkata 700032 (India); Chanda, Sadhan; Sinha, T.P. [Department of Physics, Bose Institute, 93/1, Acharya Prafulla Chandra Road, Kolkata-700009 (India)

    2014-02-15

    A new rare earth based double perovskite oxide barium praseodymium cobalt niobate, BaPrCoNbO{sub 6} (BPCN) is synthesized by solid-state reaction technique. Rietveld analysis of X-ray diffraction (XRD) data shows that the compound crystallizes in a perovskite like tetragonal structure which belongs to the I4/mmm space group with lattice parameters a=b=5.6828(9) Å, c=8.063(2) Å. Structural analysis reveals 1:1 ordered arrangement for the Co{sup 2+} and Nb{sup 5+} cations over the six-coordinate B-sites of BPCN. The superlattice line (1 0 1) at 2θ=19.10° arising from the alternate ordering of Co{sup 2+} and Nb{sup 5+} sites is observed in the XRD pattern which confirms the presence of cation ordering in BPCN. Fourier transform infrared spectrum shows two phonon modes of the sample due to the antisymmetric NbO{sub 6} stretching vibration. The relaxation dynamics of the conductive process in BPCN is investigated in the temperature range 303 to 503 K and in the frequency range 100 Hz to 1 MHz using impedance spectroscopy. The relaxation mechanism of the sample in the framework of electric modulus formalism is modeled by Davidson–Cole model (DCM). The values of α (distribution of relaxation time) for the DCM varies from 0.1 to 0.3 which suggests the asymmetric distribution of relaxation time for BPCN. The activation energy of the sample, calculated from both conductivity and modulus spectra, are found to be almost the same ∼0.4 eV, which indicates that the conduction mechanism for BPCN is polaron hopping. The scaling behaviour of the imaginary part of electric modulus suggests that the relaxation follows the same mechanism at various temperatures. - Graphical abstract: Rietveld refinement plot for BPCN. Inset shows the schematic presentation of the BPCN tetragonal unit cell. The Co{sup 2+} atoms are located at the centers of the CoO{sub 6} (blue) octahedra. The Nb{sup 5+} atoms are located at the centers of the NbO{sub 6} (green) octahedra. Display Omitted

  20. Effect of powder sample granularity on fluorescent intensity and on thermal parameters in x-ray diffraction Rietveld analysis

    International Nuclear Information System (INIS)

    Sparks, C.J.; Specht, E.D.; Ice, G.E.; Kumar, R.; Zschack, P.; Shiraishi, T.; Hisatsune, K.

    1991-01-01

    The effect of sample granularity on diffracted x-ray intensity was evaluated by measuring the 2θ dependence of x-ray fluorescence from various samples. Measurements were made in the symmetric geometry on samples ranging from single crystals to highly absorbing coarse powders. A characteristic shape for the absorption correction was observed. A demonstration of the sensitivity of Rietveld refined site occupation parameters is made on CuAu and Cu 50 Au 44 Ni 6 alloys refined with and without granularity corrections. These alloys provide a good example of the effect of granularity due to their large linear x-ray absorption coefficients. Sample granularity and refined thermal parameters obtained from the Rietveld analysis were found to be correlated. Without a granularity correction, the refined thermal parameters are too low and can actually become negative in an attempt to compensate for granularity. A general shape for granularity correction can be included in refinement procedures. If no granularity correction is included, data should be restricted to above 30 degrees 2θ, and thermal parameters should be ignored unless extreme precautions are taken to produce >5 μm particles and high packing densities

  1. Rietveld refinement and electronic structure studies for the Sm2FeMnO6 new complex perovskite

    International Nuclear Information System (INIS)

    Landinez Tellez, D.A.; Munevar, J.A.; Arbey Rodriguez, J.M.; Fajardo, F.; Roa-Rojas, J.

    2008-01-01

    We report synthesis and crystalline structure study of the Sm 2 FeMnO 6 new complex perovskite, by X-ray diffraction experiments and through the application of Rietveld refinement. Results revealed the crystallization of system in a structure given by Pmn21 (no. 31) space group and lattice parameters a=7.621(1) A, b=5.675(3) A and c=5.378(3) A. Ab initio calculations of density of states (DOS) and electronic structure were carried out for this perovskite-like system by the density functional theory (DFT) and using the full-potential linearized augmented plane waves (FP-LAPW) method. All calculations were carried out using spin polarization. Material evidences a conductor-like character, predominantly due to d-xy Fe orbital of the spin down channel. Magnetic response of system has contributions of Fe and Mn spin up orientation. The calculated magnetic moment in cell was 34.48 μ B and the magnetic moment in interstitial was 1.54 μ B

  2. Measurements of Residual Stresses In Cold-Rolled 304 Stainless Steel Plates Using X-Ray Diffraction with Rietveld Refinement Method

    International Nuclear Information System (INIS)

    Parikin; Killen, P; Rafterry, A.

    2009-01-01

    The determination of the residual stresses using X-ray powder diffraction in a series of cold-rolled 304 stainless steel plates, deforming 0, 34, 84, 152, 158, 175 and 196 % reduction in thickness has been carried out. The diffraction data were analyzed using the Rietveld structure refinement method. The analysis shows that for all specimens, the martensite particles are closely in compression and the austenite matrix is in tension. Both the martensite and austenite, for a sample reducing 34% in thickness (containing of about 1% martensite phase) the average lattice strains are anisotropic and decrease approximately exponential with an increase in the corresponding percent reduction (essentially phase content). It is shown that this feature can be qualitatively understood by taking into consideration the thermal expansion mismatch between the martensite and austenite grains. Also, for all cold-rolled stainless steel specimens, the diffraction peaks are broader than the unrolled one (instrumental resolution), indicating that the strains in these specimens are inhomogeneous. From an analysis of the refined peak shape parameters, the average root-mean square strain, which describes the distribution of the inhomogeneous strain field, was predicted. The average residual stresses in cold-rolled 304 stainless steel plates showed a combination effect of hydrostatic stresses of the martensite particles and the austenite matrix. (author)

  3. A new approach to texture measurements: Orientation distribution function (ODF) determination by Rietveld refinement

    International Nuclear Information System (INIS)

    Vondreele, R.; Larson, A.; Lawson, A.; Sheldon, R.; Wright, S.

    1996-01-01

    The preferred orientation of crystal grains within a manufactured part is described most fully by its orientation distribution function (ODF), which is a mapping of the probability of each of the possible grain orientations with respect to the exterior dimensions. Traditionally, an ODF is determined from pole figures for a relatively small number of reflections. These pole figures are measured with x-rays or neutrons using short detector scans over the center of an individual diffraction peak for a large number of different sample orientations. This is efficient if the selected diffraction peaks are reasonably strong (relative to background) and well separated, such as in pure fcc and bcc metals. It is also appropriate for constant wavelength sources where collection of individual diffraction peak intensities is a reasonably efficient use of the source. However, the traditional method is not very efficient for neutron diffraction at a spallation source such as LANSCE where the entire diffraction pattern is accessible for each sample setting. Moreover, a different approach is necessary for complicated diffraction patterns, such as from composite materials, intermetallic compounds, high T c ceramics, polyphasic minerals and polymers where there is expected to be heavy overlap of adjacent diffraction peaks. In addition, the large number of settings normally collected for an individual pole figure may not be necessary, since the entire pattern is obtained at each setting. Thus, a new method of ODF analysis needs to be developed to handle the more complex diffraction patterns obtained from modern technological materials as well as take advantage of the particular characteristics of spallation neutron sources. This project sought to develop the experimental procedures and the mathematical treatment needed to produce an orientation distribution function (ODF) directly from full diffraction patterns from a sample in a limited number of orientations

  4. Rietveld and impedance analysis of cold and hot rolled duplex and lean duplex steels for application in paper and pulp industry

    Energy Technology Data Exchange (ETDEWEB)

    Esteves, Luiza; Lins, Vanessa de Freitas Cunha, E-mail: luizaeq@yahoo.com.br [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Departamento de Engenharia Quimica; Paiva, Paulo Renato Perdigao [Centro Federal de Educacao Tecnologica de Minas Gerais (CEFET), Belo Horizonte, MG (Brazil); Viana, Adolfo Kalergis do Nascimento [APERAM South America, Timoteo, MG (Brazil)

    2017-01-15

    In this study, X-Ray Diffraction (XRD) and Rietveld Refinement were performed to identify and quantify the ferrite and austenite phase of cold and hot rolled duplex stainless steels (UNS S31803) and lean duplex stainless steels (UNS S32304). Electrochemical impedance spectroscopy (EIS) was applied to evaluate the chemical behavior of duplex and lean duplex stainless steels in white, green, and black liquors of paper and pulp industry. Rietveld analysis results showed a higher austenite content than the standard limit for duplex steels in the hot rolled condition. The hot rolling condition plays a major role in improving corrosion resistance in white liquor mainly for the lean duplex steel. (author)

  5. Rietveld and impedance analysis of cold and hot rolled duplex and lean duplex steels for application in paper and pulp industry

    International Nuclear Information System (INIS)

    Esteves, Luiza; Lins, Vanessa de Freitas Cunha; Viana, Adolfo Kalergis do Nascimento

    2017-01-01

    In this study, X-Ray Diffraction (XRD) and Rietveld Refinement were performed to identify and quantify the ferrite and austenite phase of cold and hot rolled duplex stainless steels (UNS S31803) and lean duplex stainless steels (UNS S32304). Electrochemical impedance spectroscopy (EIS) was applied to evaluate the chemical behavior of duplex and lean duplex stainless steels in white, green, and black liquors of paper and pulp industry. Rietveld analysis results showed a higher austenite content than the standard limit for duplex steels in the hot rolled condition. The hot rolling condition plays a major role in improving corrosion resistance in white liquor mainly for the lean duplex steel. (author)

  6. Crystal structures of iron bearing tetrahedrite and tennantite at 25 and 250 degrees C by means of Rietveld refinement of synchrotron data

    DEFF Research Database (Denmark)

    Friese, K.; Grzechnik, A.; Makovicky, E.

    2008-01-01

    Rietveld refinement of X-ray synchrotron data was performed for two synthetic tetrahedrite samples, with 0.61 and 1.83 Fe atoms, and two synthetic tennantite samples with 0.10 and 1.23 Fe atoms p.f.u. M-12(Sb,As)(4)S-13. Measurements were performed at 25 and 250 degrees C. For both the phases...

  7. Crystal structure analysis of LaMnO_3 with x-ray diffraction technique using the Rietveld method

    International Nuclear Information System (INIS)

    Engkir Sukirman; Wisnu Ari Adi; Yustinus Purwamargapratala

    2010-01-01

    Crystal structure analysis of LaMnO_3 using the Rietveld method has been carried out. The LaMnO_3 sample was synthesized with high energy mechanical milling from the raw materials of La_2O_3 and MnO_2 with the appropriate mol ratio. Milling were performed for 10 hours, pelletized and hereinafter sintered at 1350 °C for 6 hours. The sample characterizations covered the crystal structure and electric-magnetic properties of the materials by X-ray diffraction technique using the Rietveld method and the four point probe, respectively. The Rietveld refinement results based on the X-rays diffraction data indicate that the sample of LaMnO_3 is single phase with the crystal system: orthorhombic, the space group: Pnma No. 62 and the lattice parameters: a = 55.4405(9) Å; b = 7.717(1) Å dan c = 5.537(1) Å. The material owns Magnetic Resonance (MR) respond of 7 %, the mean value of crystallite size, D = 17 nm and lattice strain, e = - 0.5 %. So, the material go through a compressive strain, and according to the Nanda's strain model, it becomes a type G antiferromagnetic insulator. Because the insulator properties of the material does not change although being hit by the external magnetic field, hence the MR respond is only caused by the order of electron spin. Therefore at room temperature, LaMnO_3_._0 just exhibits a small MR respond. (author)

  8. Quantitative phase analysis of uranium carbide from x-ray diffraction data using the Rietveld method

    International Nuclear Information System (INIS)

    Singh Mudher, K.D.; Krishnan, K.

    2003-01-01

    Quantitative phase analysis of a uranium carbide sample was carried out from the x-ray diffraction data by Rietveld profile fitting method. The method does not require the addition of any reference material. The percentage of UC, UC 2 and UO 2 phases in the sample were determined. (author)

  9. Application of the Rietveld method in structural analysis of catalysts based on CuO/CeO2

    International Nuclear Information System (INIS)

    Neiva, L.S.; Ribeiro, M.A.; Bispo, A.; Simoes, A.N.; Gama, L.

    2011-01-01

    This work has as aim to synthesize catalysts composed by CuO/CeO 2 by means two distinct methods of synthesis, they are: combustion synthesis and Pechini. The catalysts composed by CuO/CeO 2 were synthesized with CuO in condition of dopant element. The value of the CuO concentration ranged between 0 and 0.5 mol. Has been done a structural analysis related to how the kind of synthesis method used influences over physical characteristic of the catalytic material. The obtained catalysts were characterized by X-ray diffraction with refinement by Rietveld method. According to results, the synthesized catalysts showed crystalline structures formed mostly by CeO 2 phase, as expected, since this is the host matrix for the dopant element. The catalysts obtained by the Pechini method presented structures with a smaller amount of segregated phases formed by CuO, according to the results of the structural analysis. (author)

  10. Micro-structural study and Rietveld analysis of fast reactor fuels: U–Mo fuels

    International Nuclear Information System (INIS)

    Chakraborty, S.; Choudhuri, G.; Banerjee, J.; Agarwal, Renu; Khan, K.B.; Kumar, Arun

    2015-01-01

    U–Mo alloys are the candidate fuels for both research reactors and fast breeder reactors. In-reactor performance of the fuel depends on the microstructural stability and thermal properties of the fuel. To improve the fuel performance, alloying elements viz. Zr, Mo, Nb, Ti and fissium are added in the fuel. The first reactor fuels are normally prepared by injection casting. The objective of this work is to compare microstructure, phase-fields and hardness of as-cast four different U–Mo alloy (2, 5, 10 and 33 at.% Mo) fuels with the equilibrium microstructure of the alloys. Scanning electron microscope with energy dispersive spectrometer and optical microscope have been used to characterize the morphology of the as-cast and annealed alloys. The monoclinic α'' phase in as-cast U-10 at.% Mo alloy has been characterized through Rietveld analysis. A comparison of metallographic and Rietveld analysis of as-cast (dendritic microstructure) and annealed U-33 at.% Mo alloy, corresponding to intermetallic compound, has been reported here for the first time. This study will provide in depth understanding of microstructural and phase evolution of U–Mo alloys as fast reactor fuel. - Highlights: • U–Mo alloys in as-cast as well as in annealed conditions have been studied using Optical Microscope, SEM, XRD. • The monoclinic α'' phase in as-cast U-10 at.% Mo alloy has been characterized through Rietveld analysis. • The dendritic microstructure of γ-(U,Mo) and B.C.C. ‘Mo’ phase of 33 at.% U–Mo alloy have been analysed. • Rietveld analysis has been done to optimize lattice parameters and calculate phase fractions in annealed alloys. • The Vickers microhardness of U_2Mo phase shows lower hardness than two phase microstructures in annealed alloys.

  11. Micro-structural study and Rietveld analysis of fast reactor fuels: U–Mo fuels

    Energy Technology Data Exchange (ETDEWEB)

    Chakraborty, S., E-mail: sibasis@barc.gov.in [Radiometallurgy Division, Bhabha Atomic Research Centre, Mumbai, 400085 (India); Choudhuri, G. [Atomic Fuels Division, Bhabha Atomic Research Centre, Mumbai, 400085 (India); Banerjee, J. [Radiometallurgy Division, Bhabha Atomic Research Centre, Mumbai, 400085 (India); Agarwal, Renu [Product Development Division, Bhabha Atomic Research Centre, Mumbai, 400085 (India); Khan, K.B.; Kumar, Arun [Radiometallurgy Division, Bhabha Atomic Research Centre, Mumbai, 400085 (India)

    2015-12-15

    U–Mo alloys are the candidate fuels for both research reactors and fast breeder reactors. In-reactor performance of the fuel depends on the microstructural stability and thermal properties of the fuel. To improve the fuel performance, alloying elements viz. Zr, Mo, Nb, Ti and fissium are added in the fuel. The first reactor fuels are normally prepared by injection casting. The objective of this work is to compare microstructure, phase-fields and hardness of as-cast four different U–Mo alloy (2, 5, 10 and 33 at.% Mo) fuels with the equilibrium microstructure of the alloys. Scanning electron microscope with energy dispersive spectrometer and optical microscope have been used to characterize the morphology of the as-cast and annealed alloys. The monoclinic α'' phase in as-cast U-10 at.% Mo alloy has been characterized through Rietveld analysis. A comparison of metallographic and Rietveld analysis of as-cast (dendritic microstructure) and annealed U-33 at.% Mo alloy, corresponding to intermetallic compound, has been reported here for the first time. This study will provide in depth understanding of microstructural and phase evolution of U–Mo alloys as fast reactor fuel. - Highlights: • U–Mo alloys in as-cast as well as in annealed conditions have been studied using Optical Microscope, SEM, XRD. • The monoclinic α'' phase in as-cast U-10 at.% Mo alloy has been characterized through Rietveld analysis. • The dendritic microstructure of γ-(U,Mo) and B.C.C. ‘Mo’ phase of 33 at.% U–Mo alloy have been analysed. • Rietveld analysis has been done to optimize lattice parameters and calculate phase fractions in annealed alloys. • The Vickers microhardness of U{sub 2}Mo phase shows lower hardness than two phase microstructures in annealed alloys.

  12. Rietica - a visual Rietveld program

    International Nuclear Information System (INIS)

    Hunter, B.A.

    2000-01-01

    Full text: Rietica is a Rietveld analysis program that allows interaction with the refinement process on a cycle by cycle basis using a graphic interface. Rietica was developed to aid in the creation and updating of the Rietveld input files, as well as to control the LHPM program. It is a Windows 95 based program allowing point and click control of all the functionality of LHPM. Some of the features of the Rietica program are: multiple x-ray and/or neutron histograms (datasets) allowing different scales, zeros, peak profile types and values, backgrounds, wavelengths, preferred orientations for each histogram - all of which are refinable, (1) ability to calculate and refine neutron time-of-flight (TOF) data, (2) ability to refine Δf' and Δf'' now allows extra flexibility with synchrotron diffraction data, (3) can interpolate x-ray form factors from a series of (sin(θ)/λ, f) values (eg Bessel functions), (4) a new absorption correction formula allowing μR > 1.0 for cylindrical geometry and a flat plate absorption correction based surface roughness, (5) new background functions, (6) quantitative phase analysis routines, (7) point and click data entry and program control, (8) data display and easy background and excluded region input via mouse control, (9) control of the refinement process, including automatic updating of the calculated pattern display after each step, (10) can refine using 3 strategies: a) a point and click mode of data entry and refinement control (beginners/intermediate/advanced users); b) a manual editing of the input file, but still with all the benefits of the visual interface and online graphics (intermediate/advanced users); and c) a Basic scripting language that can be used to control the refinement process and graphics output. It could be used, say, for automatic refinement of large numbers of datasets (advanced users). The program currently reads in LHPM and GSAS/Fullprof/DWBS experiment files and export in a variety of formats. The

  13. Influence of the milling time in the microstructural parameters of TA2O5-Al powder refined by Rietveld method

    International Nuclear Information System (INIS)

    Brito, R.A.; Mendes, M.W.D.; Alves Junior, C.; Costa, F.A. da; Gomes, U.U.

    2009-01-01

    Mechanical alloying (MA) is a solid-state powder processing technique involving repeated welding, fracturing, and re-welding of powder particles in a high energy mill. This process is used for producing of fine powders containing unique microstructures. The process starts with mixing of the powders in the desired proportion. Then, the mixture is milled using the established time in the high-energy mill. The powder particles are submitted to repeated cycles of cold working and fracture, and the final product correspond to a composite powder, containing characteristics different of the initial constituents. Ta 2 O 5 -Al powders were milled in a planetary ball mill for different times in order to evaluate the influence of the milling time in their microstructural parameters like crystallite size and micro deformation. The microstructural parameters were obtained by the Rietveld Method. The results showed that the microstructural parameters were influenced by the increase of the milling time. (author)

  14. Rietveld refinement and dielectric studies of Bi{sub 0.8}Ba{sub 0.2}FeO{sub 3} ceramic

    Energy Technology Data Exchange (ETDEWEB)

    Kaswan, Kavita, E-mail: kaswan.kavita@gmail.com; Agarwal, Ashish; Sanghi, Sujata; Rangi, Manisha; Jangra, Sandhaya; Singh, Ompal [Department of Applied Physics, Guru Jambheshwar University of Science and Technology, Hisar 125001, Haryana (India)

    2016-05-23

    Polycrystalline Bi{sub 0.8}Ba{sub 0.2}FeO{sub 3} ceramic has been synthesized via conventional solid state reaction technique. The Rietveld refinement of x-ray powder diffraction revealed that the sample has a rhombohedral crystal structure (space group R3c). With increase in temperature, the values of dielectric constant (ϵ′) and dielectric loss (tan δ) are found to be increase at different frequencies which may be the result of increase in the number of charge carriers and their mobilities due to the thermal activation. Further the ac conductivity data is analyzed by using Jonscher’s universal power law. The values of frequency exponent ‘s’ lies in the range 0.2 ≤ s ≤ 0.7 and decreases with increase in temperature which can be explained on the basis of CBH (Correlated Barrier Height) model.

  15. Rietveld refinement of the structures of 1.0 C-S-H and 1.5 C-S-H

    KAUST Repository

    Battocchio, Francesco

    2012-11-01

    Low-Q region Rietveld analyses were performed on C-S-H synchrotron XRD patterns, using the software MAUD. Two different crystal structures of tobermorite 11 Å were used as a starting model: monoclinic ordered Merlino tobermorite, and orthorhombic disordered Hamid tobermorite. Structural modifications were required to adapt the structures to the chemical composition and the different interlayer spacing of the C-S-H samples. Refinement of atomic positions was done by using special constraints called fragments that maintain interatomic distances and orientations within atomic polyhedra. Anisotropic crystallite size refinement showed that C-S-H has a nanocrystalline disordered structure with a preferred direction of elongation of the nanocrystallites in the plane of the Ca interlayer. The quality of the fit showed that the monoclinic structure gives a more adequate representation of C-S-H, whereas the disordered orthorhombic structure can be considered a more realistic model if the lack of long-range order of the silica chain along the c-direction is assumed. © 2012 Elsevier Ltd. All rights reserved.

  16. Strain and stress tensors of rolled uranium plate by Rietveld refinement of TOF neutron-diffraction data

    International Nuclear Information System (INIS)

    Balzar, D.; Popa, N.C.; Vogel, S.

    2010-01-01

    We report the complete macroscopic average strain and stress tensors for a cold-rolled uranium plate, based on the neutron TOF measurements. Both tensors were determined by the least-squares refinement of the interplanar spacings of 19 Bragg reflections. Based on the pole figures, as determined by GSAS, a triclinic sample symmetry of the uranium plate was assumed. Strain and stress are tensile in both the transverse and rolling directions and very small in the normal direction (through the thickness of the plate). Shear strain and stress components are compressive and of significant magnitude.

  17. Micro-structural study and Rietveld analysis of fast reactor fuels: U-Mo fuels

    Science.gov (United States)

    Chakraborty, S.; Choudhuri, G.; Banerjee, J.; Agarwal, Renu; Khan, K. B.; Kumar, Arun

    2015-12-01

    U-Mo alloys are the candidate fuels for both research reactors and fast breeder reactors. In-reactor performance of the fuel depends on the microstructural stability and thermal properties of the fuel. To improve the fuel performance, alloying elements viz. Zr, Mo, Nb, Ti and fissium are added in the fuel. The first reactor fuels are normally prepared by injection casting. The objective of this work is to compare microstructure, phase-fields and hardness of as-cast four different U-Mo alloy (2, 5, 10 and 33 at.% Mo) fuels with the equilibrium microstructure of the alloys. Scanning electron microscope with energy dispersive spectrometer and optical microscope have been used to characterize the morphology of the as-cast and annealed alloys. The monoclinic α'' phase in as-cast U-10 at.% Mo alloy has been characterized through Rietveld analysis. A comparison of metallographic and Rietveld analysis of as-cast (dendritic microstructure) and annealed U-33 at.% Mo alloy, corresponding to intermetallic compound, has been reported here for the first time. This study will provide in depth understanding of microstructural and phase evolution of U-Mo alloys as fast reactor fuel.

  18. Neutron irradiated uranium silicides studied by neutron diffraction and Rietveld analysis

    International Nuclear Information System (INIS)

    Birtcher, R.C.; Mueller, M.H.; Richardson, J.W. Jr.; Faber, J. Jr.

    1989-11-01

    Uranium silicides have been considered for use as reactor fuels in both high power and low enrichment applications. However, U 3 Si was found to become amorphous under irradiation and to become mechanically unstable to rapid growth by plastic flow. U 2 Si 2 appears to be stable against amorphization at low displacement rates, but the extent of this stability is uncertain. Although the mechanisms responsible for plastic flow in U 3 Si and other amorphous systems are unknown, as is the importance of crystal structure for amorphization, it may not be surprising that these materials amorphize, in light of the fact that many radioactive nuclide - containing minerals are known to metaminctize (lose crystallinity) under irradiation. The present experiment follows the detailed changes in the crystal structures of U 3 Si and U 3 Si 2 introduced by neutron bombardment and subsequent uranium fission at room temperature. U-Si seems the ideal system for a neutron diffraction investigation since the crystallographic and amorphous forms can be studied simultaneously by combining conventional Rietveld refinement of the crystallographic phases with Fourier-filtering of the non-crystalline scattering component

  19. Rietveld refinement of the crystal structure of perovskite solar cells using CH3NH3PbI3 and other compounds

    Science.gov (United States)

    Ando, Yuji; Ohishi, Yuya; Suzuki, Kohei; Suzuki, Atsushi; Oku, Takeo

    2018-01-01

    The crystal structures of perovskite thin films including CH3NH3PbI3, CH3NH3Pb1-xSbxI3, and CH3NH3PbI3-yCly in the solar cell configuration were studied by using Rietveld refinement. For the CH3NH3PbI3 and CH3NH3Pb1-xSbxI3 samples, satisfactory agreement with the measured profiles was obtained with a weighted profile R-factor (Rwp) of as low as 3%. It was shown that the site occupancy of methylammonium (MA) was decreased in the antimonized cell due to the compensation effect of an increased positive charge brought about by replacing Pb2+ with Sb3+. Photovoltaic measurements showed that the power conversion efficiency was enhanced by adding a small amount of Sb to the CH3NH3PbI3 cell, but it was monotonically decreased as the mole fraction of Sb exceeded 0.03. This variation of the conversion efficiency was considered as a result of suppressed crystallization of PbI2 and carrier recombination via MA vacancies in the antimonized cells. In the case of CH3NH3PbI2.88Cl0.12 sample, the agreement with the measured profile with an Rwp of as high as 7% suggested the co-existence of cubic and tetragonal phases in the chlorinated cell.

  20. Rietveld refinement, dielectric and magnetic properties of Nb modified Bi0.80Ba0.20FeO3 ceramic

    Science.gov (United States)

    Jangra, Sandhaya; Sanghi, Sujata; Agarwal, Ashish; Rangi, Manisha

    2018-05-01

    Bi0.80Ba0.20Fe0.95Nb0.05O3 ceramic has been prepared via conventional solid state reaction method. Structure analysis was carried out by X-ray diffraction (XRD) technique at room temperature. XRD pattern confirmed the crystalline nature of prepared sample. Rietveld analysis used for further structural investigations and confirmed the existence of rhombohedral symmetry (R3c space group). The dielectric response shows dispersion at lower frequency range and becomes frequency independent at high frequency. The approximation of conduction mechanism is determined by the temperature dependent behavior of frequency exponent `s'. Fitting results suggests the applicability of small polaron conduction mechanism at lower temperatures and CBH model at higher temperature. Room temperature magnetic measurements give the evidence of significant enhancement in magnetic properties with remanent magnetization (Mr = 0.1218 emu/g) and coercive field (Hc = 3.5342 kOe).

  1. Rietveld profile analysis of calcined AlPO/sub 4/-11 using pulsed neutron powder diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Richardson, J.W. Jr.; Pluth, J.J.; Smith, J.V.

    1988-08-01

    Aluminium phosphate, AlPO/sub 4/, M/sub r/=121.95, orthorhombic, Icmm (disordered Al, P), Icm2 (ordered Al, P), a=13.5333(8), b=18.4845(10), c=8.3703(4) A, V=2094 A/sup 3/, Z=20, D/sub x/=1.93 g cm/sup -3/, T approx. = 295 K, R/sub wp/=0.031, R/sub F//sup 2/=0.109 (Icmm) and R/sub wp/=0.027, R/sub F//sup 2/=0.058 (Icm2) for 1017 independent reflections. Sample calcined at 873 K and dehydrated at 573 K. Time-of-flight neutron powder diffraction data were taken on the GPPD diffractometer at the Argonne National Laboratory Intense Pulsed Neutron Source. The structure was refined by Rietveld profile analysis in the range d=0.86-3.91 A in two space groups: Icmm assuming no ordering of Al and P, and Icm2 assuming strict alternation of Al and P on tetrahedral nodes. (orig./BHo).

  2. The IPNS rietveld analysis software package for TOF [time-of-flight] powder diffraction data: Recent developments

    International Nuclear Information System (INIS)

    Rotella, F.J.; Richardson, J.W. Jr.

    1987-01-01

    A system of FORTRAN programs for the analysis of time-of-flight (TOF) neutron powder diffraction data via the Rietveld method at IPNS has been modified recently, making it possible to analyze data that exhibit diffraction maxima broadened due to anisotropic strain and that can be modeled by individual atomic anharmonic thermal vibrations. The observation of noncrystalline scattering in data from some powder samples has led to the development of software to fit such scattering by a function related to a radial distribution function through Fourier-filtering techniques. The ''user friendliness'' of the IPNS Rietveld package has been enhanced by the development of ''RIETVELD,'' a menu-based VAX/VMS command language routine for interactive file manipulation and program execution

  3. Application of the Rietveld method in structural analysis of catalysts based on CuO/CeO{sub 2}; Aplicacao do metodo de Rietveld na analise estrutural de catalisadores a base de CuO/CeO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Neiva, L.S.; Ribeiro, M.A.; Bispo, A.; Simoes, A.N.; Gama, L., E-mail: lsoutoneiva@yahoo.com.br [Universidade Federal de Campina Grande (UFCG), PB (Brazil). Departamento de Engenharia de Materiais

    2011-07-01

    This work has as aim to synthesize catalysts composed by CuO/CeO{sub 2} by means two distinct methods of synthesis, they are: combustion synthesis and Pechini. The catalysts composed by CuO/CeO{sub 2} were synthesized with CuO in condition of dopant element. The value of the CuO concentration ranged between 0 and 0.5 mol. Has been done a structural analysis related to how the kind of synthesis method used influences over physical characteristic of the catalytic material. The obtained catalysts were characterized by X-ray diffraction with refinement by Rietveld method. According to results, the synthesized catalysts showed crystalline structures formed mostly by CeO{sub 2} phase, as expected, since this is the host matrix for the dopant element. The catalysts obtained by the Pechini method presented structures with a smaller amount of segregated phases formed by CuO, according to the results of the structural analysis. (author)

  4. Rietveld refinement of the structures of 1.0 C-S-H and 1.5 C-S-H

    KAUST Repository

    Battocchio, Francesco; Monteiro, Paulo J.M.; Wenk, Hans-Rudolf

    2012-01-01

    Low-Q region Rietveld analyses were performed on C-S-H synchrotron XRD patterns, using the software MAUD. Two different crystal structures of tobermorite 11 Å were used as a starting model: monoclinic ordered Merlino tobermorite, and orthorhombic

  5. PETROGRAPHY AND APPLICATION OF THE RIETVELD METHOD TO THE QUANTITATIVE ANALYSIS OF PHASES OF NATURAL CLINKER GENERATED BY COAL SPONTANEOUS COMBUSTION

    Directory of Open Access Journals (Sweden)

    Pinilla A. Jesús Andelfo

    2010-06-01

    Full Text Available

    Fine-grained and mainly reddish color, compact and slightly breccious and vesicular pyrometamorphic rocks (natural clinker are associated to the spontaneous combustion of coal seams of the Cerrejón Formation exploited by Carbones del Cerrejón Limited in La Guajira Peninsula (Caribbean Region of Colombia. These rocks constitute remaining inorganic materials derived from claystones, mudstones and sandstones originally associated with the coal and are essentially a complex mixture of various amorphous and crystalline inorganic constituents. In this paper, a petrographic characterization of natural clinker, aswell as the application of the X-ray diffraction (Rietveld method by mean of quantitative analysis of its mineral phases were carried out. The RIQAS program was used for the refinement of X ray powder diffraction profiles, analyzing the importance of using the correct isostructural models for each of the existing phases, which were obtained from the Inorganic Crystal Structure Database (ICSD. The results obtained in this investigation show that the Rietveld method can be used as a powerful tool in the quantitative analysis of phases in polycrystalline samples, which has been a traditional problem in geology.

  6. Quantitative phase analysis of alumina/calcium-hexaluminate composites using neutron diffraction data and the Rietveld method

    International Nuclear Information System (INIS)

    Asmi, D.; Low, I.M.; O'Connor, B.H.; Kennedy, S.J.

    2000-01-01

    Full text: The Al 2 O 3 -CaO system is the basis of an important class of high-temperature refractories in the steel industry. It contains a number of stable intermediate compounds which include C 3 A, C 12 A 7 , CA, CA 2 , and CA 6 . These calcium aluminates are also important constituents of high alumina cement and have been used to produce high-strength and high-toughness ceramic-polymer composite materials. More recently, alumina composites containing 30 wt% CA 6 platelets have been developed by An et al which show characteristics of self-reinforcement and enhanced toughening through crack-bridging. In this paper, we describe the use of high-temperature neutron diffraction to monitor the in-situ phase formation and abundances of calcium aluminates (CA, CA 2 , and CA 6 ) in alumina composites containing 5-50 wt % CA 6 .at temperatures in the range 1000 - 1600 deg C. These composites were produced using reaction sintering of alumina and calcium oxide. For comparison purposes, control samples of pure α-alumina and CA 6 were also produced. Determination of relative phase abundances in these materials has been performed using the standardless Rietveld refinement method. Results show that the relative phase abundance of calcium aluminates in the composites increased with temperature and in proportion with the amount of calcium oxide present. The formation temperatures of CA, CA 2 , and CA 6 have been observed to occur at 1000 deg , 1200 deg, and ∼1350 deg C respectively, which agree well with results obtained from x-ray diffraction, synchrotron radiation diffraction and differential thermal analysis

  7. Synthesis and structural characterisation using Rietveld and pair distribution function analysis of layered mixed titanium-zirconium phosphates

    International Nuclear Information System (INIS)

    Burnell, Victoria A.; Readman, Jennifer E.; Tang, Chiu C.; Parker, Julia E.; Thompson, Stephen P.; Hriljac, Joseph A.

    2010-01-01

    Crystalline metal (IV) phosphates with variable zirconium-to-titanium molar ratios of general formula (Ti 1-x Zr x )(HPO 4 ) 2 .H 2 O have been prepared by precipitation of soluble salts of the metals with phosphoric acid and heating the amorphous solids in 12 M H 3 PO 4 in an autoclave. The new materials are structurally characterised by Rietveld analysis of synchrotron X-ray powder diffraction data and pair distribution function (PDF) analysis of high energy synchrotron X-ray total scattering data. A broad range of zirconium-titanium phosphate solid solutions were formed showing isomorphous substitution of titanium by zirconium in the α-titanium phosphate lattice and vice versa for titanium substitution into the α-zirconium phosphate lattice. In both cases the solubility is partial with the coexistence of two substituted phases observed in samples with nominal compositions between the solubility limits. - Graphical abstract: Layered phosphates of general formula (Ti 1-x Zr x )(HPO 4 ).H 2 O have been prepared by the hydrothermal treatment of amorphous gels in phosphoric acid and characterised by Rietveld analysis of high resolution synchrotron X-ray powder diffraction data and pair distribution function analysis of high energy synchrotron X-ray total scattering data.

  8. Structure of the new Tl(Ba sub 1.0 Sr sub 1.0) PrCu sub 2 O sub 7-x by Rietveld analysis

    International Nuclear Information System (INIS)

    Yang, P.; Fun, H. K.; Lee, T.J.; Ku, H.C.; Lai, C.C.

    1994-01-01

    The crystalline structure of Tl(Ba sub 1.0 Sr sub 1.0)PrCu sub 2 O sub 7-x was obtained at room temperature from x-ray powder diffraction with CuK sub α radiation using Rietveld analysis. Tl(Ba sub 1.0 Sr sub 1.0)PrCu sub 2 O sub 7-x isomorphous at both room temperature (300 K) and low temperature (100 K) with TlBa sub 2 ca Cu sub 2 O sub 7-x type (1212) structure, crystallized with space group P4/mmm and one formula in the unit cell. At 300 K, cell parameters a=3.8892(2) A, c=12.3099(6) A, the structure was refined with 25 parameters to R sub WP = 6.30%, R sub P = 4.38% for 3551 step intensities and R sub b = 5.01%, R sub f = 4.20% for 156 reflections. The goodness of fitting S=3.18. At 100K, cell parameters a=3.8866(4) A, c= 12.289(1) A, the structure was refined with 26 parameters to R sub WP = 8.42%, R sub P = 6.21% for 2676 step intensities and R sub b = 6.72%, R sub f = 5.28% for 120 reflections. The goodness of fitting S=2.32. Reasonable anisotropic thermal parameters were obtained. The compositions of Ba and Sr atoms were refined to about Ba sub 1.1 Sr sub 0.9 compared with the stoichiometric Ba sub 1.0 Sr sub 1.0

  9. Structural analysis of a carbonated hydroxyapatite by the Rietveld method using different profile functions; Analise estrutural de uma hidroxiapatita carbonatada pelo metodo de Rietveld aplicando funcoes de perfil diferentes

    Energy Technology Data Exchange (ETDEWEB)

    Araujo, Jorge C. de [Universidade do Estado do Rio de Janeiro (UERJ), RJ (Brazil). Dept. de Matematica], e-mail: jcaraujo@iprj.uerj.br; Moreira, Elizabeth L.; Moraes, Valeria Conde Alves [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil)], e-mail: beth@cbpf.br, e-mail: conde@cbpf.br; Moreira, Ana Paula D. [Universidade Federal Fluminense (UFF), Niteroi, RJ (Brazil). Inst. de Quimica. Dept. de Quimica Analitica], e-mail: duarteap@gmail.com

    2008-10-15

    The crystal structure of the synthetic hydroxyapatite with 12.8 ({+-} 0,64) wt. % CO{sub 3}{sup 2-} ion content was analyzed by X-ray diffraction using the Rietveld refinement method employing Pearson VII and pseudo-Voigt functions to fit the X-ray profile. The results obtained for unit cell parameters when compared to pattern hydroxyapatite showed a decrease in the a (=b) parameter and an increase in the c parameter without significant difference between the functions employed. The separation of the anisotropic broadening of reflections originated from unit cell strains indicated that this effect is dominant in reflection line broadening, principally to hkl plans with an interatomic distance lower than 2,24 angstrom. Modifications in the atomic coordinates of C atom were noted mainly in PO{sub 4}{sup 3-} (B site) and OH{sup -} (A site) sites. The average crystallite size in the crystallography axis directions (002 and 300) suggests equi axial morphology. The results obtained to CO{sub 3}{sup 2}- content were 11.72 ({+-} 0,64) wt. % to Pearson VII and 13.20 ({+-} 0,64) wt. % to pseudo-Voigt function. The refinement of the occupancy factors to C atoms in both sites PO{sub 4}{sup 3-}(B) and OH{sup -} (A) indicated higher insertion in phosphate site than hydroxide site. However, the relative occupancy of the C atom observed in the B site is lower than in the A site. (author)

  10. Rietveld quantitative phase analysis of high surface area commercial alumina doped with niobia

    International Nuclear Information System (INIS)

    Gomes, L.B.; Pereira, A.S.; Pokorny, A.; Bergmann, C.P.

    2014-01-01

    The quantification of crystalline phases present in a given material can provide important information about the phenomena related to the diffusion of new elements in a ceramic matrix, as well as the formation and precipitation of minority phases and their microstructural evaluation. In this work, a high content of niobia (16 and 32 %w.t)was added to a high specific surface commercial alumina powder. The specimens were uniaxially pressed (200 MPa) and sintered in two stages: a first step at 1100°C for 3, 6 or 9 hours followed by a second step at 1350°C for 3 hours. The crystalline phases were analyzed by X-ray Diffraction (XRD) and quantified by the Rietveld method. The morphology of the samples was evaluated by Scanning Electron Microscopy (SEM). From the results obtained, some aluminum niobates phases expected for the Al_2O_3-Nb_2O_5 system could be identified as an intergranular phase and their relative fraction was quantified. (author)

  11. Preparation and Crystal Structures of Some AIVB2IIO4 Compounds: Powder X-Ray Diffraction and Rietveld Analysis

    Directory of Open Access Journals (Sweden)

    K. Jeyadheepan

    2014-01-01

    Full Text Available The AIVB2IIO4 compounds such as cadmium tin oxide (Cd2SnO4 or CTO and zinc tin oxide (Zn2SnO4 or ZTO are synthesized by solid state reaction of the subsequent binary oxides. The synthesized powders were analyzed through the powder X-ray diffraction (PXRD. Cell search done on the PXRD patterns shows that the Cd2SnO4 crystallizes in orthorhombic structure with space group Pbam and the cell parameters as a=5.568(2 Å, b=9.894(3 Å, and c=3.193(1 Å and the Zn2SnO4 crystallizes as cubic with the space group Fd3 -m and with the cell parameter a=8.660(2 Å. Rietveld refinement was done on the PXRD patterns to get the crystal structure of the Cd2SnO4 and Zn2SnO4 and to define the site deficiency of atoms which causes the electrical properties of the materials.

  12. Homogeneity characterisation of (U,Gd)O2 sintered pellets by X-ray diffraction powder analysis applying Rietveld method

    International Nuclear Information System (INIS)

    Leyva, Ana G.; Vega, Daniel R.; Trimarco, Veronica G.; Marchi, Daniel E.

    1999-01-01

    The (U,Gd)O 2 sintered pellets are fabricated by different methods. The homogeneity characterisation of Gd content seems to be necessary as a production control to qualify the process and the final product. The micrographic technique is the most common method used to analyse the homogeneity of these samples, this method requires time and expertise to obtain good results. In this paper, we propose an analysis of the X-ray diffraction powder patterns through the Rietveld method, in which the differences between the experimental data and the calculated from a crystalline structure model proposed are evaluated. This result allows to determine the cell parameters, that can be correlated with the Gd concentration, and the existence of other phases with different Gd ratio. (author)

  13. Study of selection and purification of Brazilian bentonite clay by elutriation: a XRF, SEM and Rietveld analysis

    Energy Technology Data Exchange (ETDEWEB)

    Alves, J.L.; Zanini, A.E.; Souza, M.E. de; Nascimento, M.L.F., E-mail: jeff_eq@yahoo.com.br, E-mail: mlfn@ufba.br [Universidade Federal da Bahia (UFBA/PROTEC/PEI), Salvador, BA (Brazil). Departamento de Engenharia Quimica

    2016-01-15

    Clays obtained from nature have a lot of impurities. Therefore, for best using of these materials, it is necessary its selection and purification. Thus, the aim of this work is to separate and to purify the smectite fractions using water as a solvent at a low flux mixed with a bentonite clay extracted from a mine in Vitoria da Conquista - Bahia / Brazil. For this a separation method of fractions of expandable clays based on the Stokes' Law was applied - this process is called elutriation, in order to ensure and to expand possible industrial applications of this material. The samples were characterized by analysis of X-ray diffraction, X-ray fluorescence and scanning electron microscopy. The Rietveld method enabled the quantification of main phase minerals: montmorillonite, kaolinite, nontronite and quartz, reaching 85% in mass of montmorillonite phase at the end of the process. Results showed that the method used was efficient to remove almost all quartz, carbonates and organic matter from the sample. It was also observed a monomodal grain size distribution of elutriated materials with thinner grains, around (18.1 ± 1.8) μm at the end of the process. It has been concluded that the method developed and applied showed promising characters to be applied to elutriate kilograms of clays and could be used in industrial scale. (author)

  14. Study of selection and purification of Brazilian bentonite clay by elutriation: a XRF, SEM and Rietveld analysis

    Directory of Open Access Journals (Sweden)

    J. L. Alves

    2016-03-01

    Full Text Available Abstract Clays obtained from nature have a lot of impurities. Therefore, for best using of these materials, it is necessary its selection and purification. Thus, the aim of this work is to separate and to purify the smectite fractions using water as a solvent at a low flux mixed with a bentonite clay extracted from a mine in Vitória da Conquista - Bahia / Brazil. For this a separation method of fractions of expandable clays based on the Stokes' Law was applied - this process is called elutriation, in order to ensure and to expand possible industrial applications of this material. The samples were characterized by analysis of X-ray diffraction, X-ray fluorescence and scanning electron microscopy. The Rietveld method enabled the quantification of main phase minerals: montmorillonite, kaolinite, nontronite and quartz, reaching 85% in mass of montmorillonite phase at the end of the process. Results showed that the method used was efficient to remove almost all quartz, carbonates and organic matter from the sample. It was also observed a monomodal grain size distribution of elutriated materials with thinner grains, around (18.1 ± 1.8 μm at the end of the process. It has been concluded that the method developed and applied showed promising characters to be applied to elutriate kilograms of clays and could be used in industrial scale.

  15. Study of selection and purification of Brazilian bentonite clay by elutriation: a XRF, SEM and Rietveld analysis

    International Nuclear Information System (INIS)

    Alves, J.L.; Zanini, A.E.; Souza, M.E. de; Nascimento, M.L.F.

    2016-01-01

    Clays obtained from nature have a lot of impurities. Therefore, for best using of these materials, it is necessary its selection and purification. Thus, the aim of this work is to separate and to purify the smectite fractions using water as a solvent at a low flux mixed with a bentonite clay extracted from a mine in Vitoria da Conquista - Bahia / Brazil. For this a separation method of fractions of expandable clays based on the Stokes' Law was applied - this process is called elutriation, in order to ensure and to expand possible industrial applications of this material. The samples were characterized by analysis of X-ray diffraction, X-ray fluorescence and scanning electron microscopy. The Rietveld method enabled the quantification of main phase minerals: montmorillonite, kaolinite, nontronite and quartz, reaching 85% in mass of montmorillonite phase at the end of the process. Results showed that the method used was efficient to remove almost all quartz, carbonates and organic matter from the sample. It was also observed a monomodal grain size distribution of elutriated materials with thinner grains, around (18.1 ± 1.8) μm at the end of the process. It has been concluded that the method developed and applied showed promising characters to be applied to elutriate kilograms of clays and could be used in industrial scale. (author)

  16. In situ X-ray Rietveld analysis of Ni-YSZ solid oxide fuel cell anodes during NiO reduction in H2

    International Nuclear Information System (INIS)

    Reyes Rojas, A; Esparza-Ponce, H E; Fuentes, L; Lopez-Ortiz, A; Keer, A; Reyes-Gasga, J

    2005-01-01

    A synthesis and characterization of solid oxide fuel cell (SOFC) anodes of nickel with 8%mol yttrium stabilized zirconia (Ni-YSZ) is presented. Attention was focused on the kinetics and phase composition associated with the transformation of NiO-YSZ to Ni-YSZ. The anodes were prepared with an alternative synthesis method that includes the use of nickel acetylacetonate as an inorganic precursor to obtain a highly porous material after sintering at 1400 deg. C and oxide reduction (NiO-YSZ → Ni-YSZ) at 800 deg. C for 8 h in a tubular reactor furnace using 10% H 2 /N 2 . The obtained material was compressed by unidirectional axial pressing into 1 cm-diameter discs with 15-66 wt% Ni and calcinated from room temperature to 800 deg. C. A heating rate of 1 deg. C min -1 showed the best results to avoid any anode cracking. Their structural and chemical characterization during the isothermal reduction were carried out by in situ time-resolved X-ray diffraction, refined with the Rietveld method (which allowed knowing the kinetic process of the reduction), scanning electron microscopy and X-ray energy dispersive spectroscopy. The results showed the formation of tetragonal YSZ 8%mol in the presence of nickel, a decrement in the unit cell volume of Ni and an increment of Ni in the Ni-YSZ anodes during the temperature reduction. The analysis indicated that the Johnson-Mehl-Avrami equation is unable to provide a good fit to the kinetics of the phase transformation. Instead, an alternative equation is presented

  17. A summary of available Rietveld and related software resources

    International Nuclear Information System (INIS)

    Cranswick, L.M.D

    1999-01-01

    Full text: There is a wide variety of Rietveld software available from both commercial and academic institutions. These resources will be reviewed along with the importance of validating Rietveld quantitative analysis results and gaining skills in complementary areas. This part of the workshop will mention a number of relevant programs and their main functionality: Rietveld software, Rietveld utilities, Rietveld friendly software and other powder diffraction utilities. Some of the main benefits of appreciating the availability of a wide range of software include: cross validation of results, data quality and diffractometer alignment, exploring new areas of research and analysis, solving new problems, nuances that occur as part of Rietveld analysis. Copyright (1999) Australian X-ray Analytical Association Inc

  18. Rietveld refinement of the orthorhombic Pbca structures of Rb2CdSi5O12, Cs2MnSiO5O12, Cs2CoSi5O12 and Cs2NiSi5O12 leucites by synchrotron X-ray powder diffraction

    International Nuclear Information System (INIS)

    Bell, A.M.T.; Henderson, C.M.B.

    1996-01-01

    Analysis of high-resolution synchrotron X-ray powder diffraction patterns for hydrothermally synthesized Rb 2 CdSi 5 O 12 and Cs 2 MnSi 5 O 12 leucite analogues, and dry-synthesized Cs 2 CoSi 5 O 12 and Cs 2 NiSi 5 O 12 leucite analogues showed that they have an orthorhombic Pbca structure. The structures have been refined by the Rietveld method, showing that the tetrahedrally coordinated atoms (Si, Cd, Mn, Co and Ni) are ordered on separate sites. The Cs 2 MnSi 5 O 12 , Cs 2 CoSi 5 O 12 and Cs 2 NiSi 5 O 12 leucite samples are unusual in containing SiO 4 tetrahedra which are more distorted, on average, than the larger MnO 4 , CoO 4 and NiO 4 tetrahedra. The JCPDS file numbers for Rb 2 CdSi 5 O 12 , Cs 2 MnSi 5 O 12 and Cs 2 CoSi 5 O 12 are 46-1491, 46-1492 and 46-1493, respectively. (orig.)

  19. Multivariate refined composite multiscale entropy analysis

    International Nuclear Information System (INIS)

    Humeau-Heurtier, Anne

    2016-01-01

    Multiscale entropy (MSE) has become a prevailing method to quantify signals complexity. MSE relies on sample entropy. However, MSE may yield imprecise complexity estimation at large scales, because sample entropy does not give precise estimation of entropy when short signals are processed. A refined composite multiscale entropy (RCMSE) has therefore recently been proposed. Nevertheless, RCMSE is for univariate signals only. The simultaneous analysis of multi-channel (multivariate) data often over-performs studies based on univariate signals. We therefore introduce an extension of RCMSE to multivariate data. Applications of multivariate RCMSE to simulated processes reveal its better performances over the standard multivariate MSE. - Highlights: • Multiscale entropy quantifies data complexity but may be inaccurate at large scale. • A refined composite multiscale entropy (RCMSE) has therefore recently been proposed. • Nevertheless, RCMSE is adapted to univariate time series only. • We herein introduce an extension of RCMSE to multivariate data. • It shows better performances than the standard multivariate multiscale entropy.

  20. Rietveld analysis using powder diffraction data with anomalous scattering effect obtained by focused beam flat sample method

    Energy Technology Data Exchange (ETDEWEB)

    Tanaka, Masahiko, E-mail: masahiko@spring8.or.jp; Katsuya, Yoshio, E-mail: katsuya@spring8.or.jp; Sakata, Osami, E-mail: SAKATA.Osami@nims.go.jp [Synchrotron X-ray Station at SPring-8, National Institute for Materials Science 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan)

    2016-07-27

    Focused-beam flat-sample method (FFM) is a new trial for synchrotron powder diffraction method, which is a combination of beam focusing optics, flat shape powder sample and area detectors. The method has advantages for X-ray diffraction experiments applying anomalous scattering effect (anomalous diffraction), because of 1. Absorption correction without approximation, 2. High intensity X-rays of focused incident beams and high signal noise ratio of diffracted X-rays 3. Rapid data collection with area detectors. We applied the FFM to anomalous diffraction experiments and collected synchrotron X-ray powder diffraction data of CoFe{sub 2}O{sub 4} (inverse spinel structure) using X-rays near Fe K absorption edge, which can distinguish Co and Fe by anomalous scattering effect. We conducted Rietveld analyses with the obtained powder diffraction data and successfully determined the distribution of Co and Fe ions in CoFe{sub 2}O{sub 4} crystal structure.

  1. Rietveld analysis using powder diffraction data with anomalous scattering effect obtained by focused beam flat sample method

    International Nuclear Information System (INIS)

    Tanaka, Masahiko; Katsuya, Yoshio; Sakata, Osami

    2016-01-01

    Focused-beam flat-sample method (FFM) is a new trial for synchrotron powder diffraction method, which is a combination of beam focusing optics, flat shape powder sample and area detectors. The method has advantages for X-ray diffraction experiments applying anomalous scattering effect (anomalous diffraction), because of 1. Absorption correction without approximation, 2. High intensity X-rays of focused incident beams and high signal noise ratio of diffracted X-rays 3. Rapid data collection with area detectors. We applied the FFM to anomalous diffraction experiments and collected synchrotron X-ray powder diffraction data of CoFe_2O_4 (inverse spinel structure) using X-rays near Fe K absorption edge, which can distinguish Co and Fe by anomalous scattering effect. We conducted Rietveld analyses with the obtained powder diffraction data and successfully determined the distribution of Co and Fe ions in CoFe_2O_4 crystal structure.

  2. Influence of diopside: feldspar ratio in ceramic reactions assessed by quantitative phase analysis (X-ray diffraction - Rietveld method)

    International Nuclear Information System (INIS)

    Kuzmickas, L.; Andrade, F.R.D.; Szabo, G.A.J.; Motta, J.F.M.; Cabral Junior, M.

    2013-01-01

    White ceramics were produced with raw mixtures prepared with varying proportions of diopside-rich rock (0 to 20 wt.%) and potassic feldspar (40 to 20 wt.%), and fixed proportions of kaolinite (40 wt.%) and quartz (20 wt.%), fired in a temperature range from 1170 to 1210 deg C. The phases identified in the experimental ceramics were quartz, anorthite, mullite and glass, and their relative mass proportions were determined by X-ray diffraction (Rietveld method). The addition of diopside as a partial substitute for potassic feldspar causes the formation of a calcium silicate, analogous of the natural anorthite (CaSi 2 Al 2 O 8 ) in the ceramics, with proportional reduction in its glass and mullite contents. Water absorption and porosity of the ceramic bodies clearly decrease with increasing firing temperature, while the effect of the raw mixture composition on the physical and mechanical properties of the ceramics is less evident. Diopside-rich rock has low iron content (1.5 wt.% Fe 2 O 3 ) and, therefore, promotes white burning. (author)

  3. Influence of diopside: feldspar ratio in ceramic reactions assessed by quantitative phase analysis (X-ray diffraction - Rietveld method)

    Energy Technology Data Exchange (ETDEWEB)

    Kuzmickas, L.; Andrade, F.R.D.; Szabo, G.A.J. [Universidade de Sao Paulo (IGc/USP), SP (Brazil). Inst. de Geociencias. Dept. de Mineralogia e Geotecnia; Motta, J.F.M.; Cabral Junior, M., E-mail: lukuzmickas@gmail.com, E-mail: dias@usp.br, E-mail: gajszabo@usp.b, E-mail: motta.jf@gmail.com, E-mail: marsis@ipt.br [Instituto de Pesquisas Tecnologicas (IPT), Sao Paulo, SP (Brazil). Secao de Recursos Minerais e Tecnologia Ceramica

    2013-04-15

    White ceramics were produced with raw mixtures prepared with varying proportions of diopside-rich rock (0 to 20 wt.%) and potassic feldspar (40 to 20 wt.%), and fixed proportions of kaolinite (40 wt.%) and quartz (20 wt.%), fired in a temperature range from 1170 to 1210 deg C. The phases identified in the experimental ceramics were quartz, anorthite, mullite and glass, and their relative mass proportions were determined by X-ray diffraction (Rietveld method). The addition of diopside as a partial substitute for potassic feldspar causes the formation of a calcium silicate, analogous of the natural anorthite (CaSi{sub 2}Al{sub 2}O{sub 8}) in the ceramics, with proportional reduction in its glass and mullite contents. Water absorption and porosity of the ceramic bodies clearly decrease with increasing firing temperature, while the effect of the raw mixture composition on the physical and mechanical properties of the ceramics is less evident. Diopside-rich rock has low iron content (1.5 wt.% Fe{sub 2}O{sub 3}) and, therefore, promotes white burning. (author)

  4. The Rietveld method applied to the quantitative mineralogical analysis of some soil samples from Argentina Aplicación del método de Rietveld al análisis mineral��gico cuantitativo de algunas muestras de suelos de la Argentina

    Directory of Open Access Journals (Sweden)

    Stella M Zabala

    2007-07-01

    Full Text Available The mineralogical quantification of soils species is mainly obtained by analysis of X-ray diffraction (XRD patterns. The classic method, for these analyses, is limited to semi quantitative determinations due to the overlapping of different specie's peaks and processes of absorption of the constituents, the wide range of particle size distribution, etc. The use of the Rietveld method for XRD quantitative analysis, in mixtures of minerals, has allowed to improve the accuracy of the quantitative results and to extend it to complex systems, as soils, transforming it in a meaningful tool for soils investigation. In this work, quantitative results obtained by the application of classic and Rietveld methods, are compared in different soils samples from Argentina. A set of mixtures of minerals with similar composition to three studied samples, was also quantified by Rietveld method, with absolute error lower than 3%. Obtained results indicate that quantitative analysis by Rietveld method, can improve the results found by XRD classic method and may be used for the quantitative determination of soil minerals.La cuantificación mineralógica de componentes del suelo es obtenida principalmente por análisis de espectros de difracción de rayos X (DRX. El método clásico aplicado para dicho análisis está limitado a determinaciones semi-cuantitativas debido a la superposición de picos de las distintas especies y procesos de absorción de los constituyentes, el amplio rango de distribución de tamaño de partícula, etc. El uso del método de Rietveld para el análisis cuantitativo por DRX, en mezclas de minerales, ha permitido mejorar la exactitud de los resultados cuantitativos y extenderlo a sistemas complejos, como lo son los suelos, transformándose en una herramienta significativa para su investigación. En este trabajo se comparan los resultados cuantitativos obtenidos por la aplicación del método clásico y de Rietveld, a diferentes muestras de

  5. X-ray diffraction analysis of stan nite, wurtz-stan nite and pseudo-cubic quaternary compounds by Rietveld method

    Energy Technology Data Exchange (ETDEWEB)

    Quintero, M.; Quintero, E.; Moreno, E.; Alvarez, S.; Rincon, C.; Grima, P.; Bocaranda, P.; Rivero, D. [Universidad de Los Andes, Centro de Estudios de Semiconductores, 5101 Merida (Venezuela, Bolivarian Republic of); Marquina, J. [Universidad de Los Andes, Centro de Estudios Avanzados en Optica, 5101 Merida (Venezuela, Bolivarian Republic of); Henao, J. A.; Macias, M. A., E-mail: mquinterg@gmail.com [Universidad Industrial de Santander, Facultad de Ciencias, Escuela de Quimica, Grupo de Investigacion en Quimica Estructural, Apdo. Aereo 678, Bucaramanga (Colombia)

    2014-07-01

    Room temperature X-ray powder diffraction measurements were carried out on nine polycrystalline samples of the Cu{sub 2}B{sup II}C{sup IV}X{sub 4} (B=Mn, or Fe, or Co; C=Si, or Ge, or Sn; X=S, or Se or Te) magnetic semiconductor compounds. The diffraction patterns were used to show the equilibrium conditions and to derive crystalline parameters values. The results showed that four of these compounds have a tetragonal stan nite structure with space group 142 m(N{sup o} 121), two and orthorhombic wurtz-stan nite structure with space group Pmn2{sub 1}(N{sup o} 31) and three of them and orthorhombic pseudo-cubic structure with space group F222 (N{sup o} 22). In each case, the structure was refined using the Rietveld method. When the obtained atomic parameter values for the tetragonal compounds were plotted as a function of molecular weight W, it was found that the values of the atomic positions, the cation-anion bond distances, tetragonal distortion and internal distortion of the compounds containing S and /or Se lay on different lines. Also, it was found that when the experimental points of the cation-anion bond distances d{sub Cu-VI}, d{sub II-VI} and d{sub IV-VI} were plotted against the effective lattice parameter a{sub c} = (V/N){sup 1/3}, a linear variation of these distances with a{sub c} was obtained. Values of the ionic energy gap C{sub i} and homopolar energy gap E{sub h} using the Phillips-Van Vechten scheme, with the present experimental crystallographic results as well as using the atomic data, were determined. It was found that the observed and predicted values of C{sub i} and E{sub h} lie on the same straight line. (Author)

  6. Rietveld originals : Handle with care!

    NARCIS (Netherlands)

    Zijlstra, H.

    2009-01-01

    The work of architect Gerrit Th. Rietveld (1888 – 1964) is appreciated throughout the world. Many of the well-known buildings he designed have survived to the present. Some have been restored or refurbished, depending on the condition of the building, current needs of the building users, etc.

  7. Refined isogeometric analysis for a preconditioned conjugate gradient solver

    KAUST Repository

    Garcia, Daniel; Pardo, D.; Dalcin, Lisandro; Calo, Victor M.

    2018-01-01

    Starting from a highly continuous Isogeometric Analysis (IGA) discretization, refined Isogeometric Analysis (rIGA) introduces C0 hyperplanes that act as separators for the direct LU factorization solver. As a result, the total computational cost

  8. Tailoring diffraction technique Rietveld method on residual stress measurements of cold-can oiled 304 stainless steel plates

    International Nuclear Information System (INIS)

    Parikin; Killen, P.; Anis, M.

    2003-01-01

    Tailoring of diffraction technique-Rietveld method on residual stress measurements of cold-canailed stainless steel 304 plates assuming the material is isotopic, the residual stress measurements using X-ray powder diffraction is just performed for a plane lying in a large angle. For anisotropic materials, the real measurements will not be represented by the methods. By Utilizing of all diffraction peaks in the observation region, tailoring diffraction technique-Rietveld analysis is able to cover the limitations. The residual stress measurement using X-ray powder diffraction tailored by Rietveld method, in a series of cold-canailed stainless steel 304 plates deforming; 0, 34, 84, 152, 158, 175, and 196 % reduction in thickness, have been reported. The diffraction data were analyzed by using Rietveld structure refinement method. Also, for all cold-canailed stainless steel 304 plates cuplikans, the diffraction peaks are broader than the uncanailed one, indicating that the strains in these cuplikans are inhomogeneous. From an analysis of the refined peak shape parameters, the average root-mean square strain, which describes the distribution of the inhomogeneous strain field, was calculated. Finally, the average residual stresses in cold-canailed stainless steel 304 plates were shown to be a combination effect of hydrostatic stresses of martensite particles and austenite matrix. The average residual stresses were evaluated from the experimentally determined average lattice strains in each phase. It was found the tensile residual stress in a cuplikan was maximum, reaching 442 MPa, for a cuplikan reducing 34% in thickness and minimum for a 196% cuplikan

  9. Rietveld refinement and dielectric properties of (Na{sub 0.5}Bi{sub 0.5}TiO{sub 3})-(Bi{sub 0.8}Ba{sub 0.2}FeO{sub 3}) ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Kaswan, Kavita, E-mail: kaswan.kavita@gmail.com; Agarwal, Ashish; Sanghi, Sujata; Singh, Ompal [Department of Applied Physics, Guru Jambheshwar University of Science and Technology, Hisar-125001 (India)

    2015-06-24

    (1-x)(Na{sub 0.5}Bi{sub 0.5}TiO{sub 3})-x(Bi{sub 0.8}Ba{sub 0.2}FeO{sub 3}) lead free ceramics (NBT, NBT-BBFO; x = 0.0, 0.1 respectively) have been synthesized by conventional solid state reaction method. Crystalline phase of sintered ceramics was investigated at room temperature using X-ray diffraction. Rietveld refinement of XRD data performed by FullProf revealed that both the samples exhibited rhombohedral structure with R3c space group. Dielectric properties of these ceramics were studied at different temperatures in a wide frequency range using impedance analyzer. Dielectric constant and dielectric loss were found to be increase with increase of BBFO content. The prepared ceramics exhibit a broad maximum in dielectric permittivity at 593K and dispersive permittivity at high temperatures. The NBT-BBFO sample shows a relaxor ferroelectric behavior at different frequencies.

  10. Separation of the overlapping effects in spectra for WDXRF using the Rietveld method

    International Nuclear Information System (INIS)

    Salvador, Vera Lucia Ribeiro

    2005-01-01

    This work presents a new methodology for the overlapping spectra separation obtained by the technique of wavelength dispersion X-ray fluorescence (WDXRF). This methodology allows to improve the conventional analytic results and to facilitate the determination of chemical species of a same element without chemical separation, by means of the separation of coming spectra of electronic transitions of valence electrons or chemical effects in internal electrons. With the software 'GSAS-EXPGUI' and the method of Rietveld overcomes the problem of overlapping lines of the present species in the sample and it facilitates the determination of the same ones simultaneously, without the need of samples patterns and calibration curves, what means an expressive gain in relation to other techniques. The preparation of the surface of the sample for the collection of the spectrum represents a critical stage for the acting of the analysis whose effects can be minimized being used the refinement of Rietveld, that allows the determination of the relationships of the intensities of the lines put upon by means of mathematical models, what establishes the basic conditions for obtaining of more precise results in the quantitative analysis. In the case of the determination of chemical species it can separate, for example Cr (III), Cr (VI) and Fe (II), Fe(III) that present overlapping of almost 100%. (author)

  11. Mineralogical analysis of clays in hardsetting soil horizons, by X-ray fluorescence and X-ray diffraction using Rietveld method

    International Nuclear Information System (INIS)

    Prandel, L.V.; Saab, S.C.; Brinatti, A.M.; Giarola, N.F.B.; Leite, W.C.; Cassaro, F.A.M.

    2014-01-01

    Diffraction and spectroscopic techniques have been shown to be suitable for obtaining physical and mineralogical properties in polycrystalline soil samples, and also in their precursor compounds. For instance, the X-ray fluorescence (XRF) spectroscopy allows obtaining the elemental composition of an investigated sample, while the X-ray diffraction (XRD) technique permits obtaining qualitative and quantitative composition of the soil minerals through the Rietveld method (RM). In this study Yellow Latosol (Oxisol), Yellow Argisol (Ultisol) and Gray Argisol (Ultisol) soil samples, classified as “hardsetting soils”, extracted from areas located at Northeast and Southeast of Brazilian coast were investigated. The soils and their fractions were analyzed in an EDX-700 and an XRD-6000 (Cu K α radiation). XRF results indicate high percentages of Si and Al, and small percentage of Fe and Ti in the investigated samples. The DRX data and RM indicate that there was a predominance of kaolinite and halloysite minerals (kaolin group minerals) in the clay fractions, which are presumably responsible for the formation of kaolinitic plasma in these soils. Also, the obtained results showed that the XRF, XRD techniques and RM were very helpful for investigating the mineralogical composition of a hardsetting soil. - Highlights: ► Elemental composition of soil samples through X-Ray fluorescence. ► Mineralogical quantification through X-ray diffraction and Rietveld method. ► Oxisol and Ultisol, Brazil ‘Barreiras’ formation. ► High amounts of Si and Al oxides and low amounts of Fe and Ti oxides. ► Predominance of kaolinite in the clay fraction

  12. Combined PDF and Rietveld studies of ADORable zeolites and the disordered intermediate IPC-1P

    Czech Academy of Sciences Publication Activity Database

    Morris, S. A.; Wheatley, P. S.; Položij, M.; Nachtigall, P.; Eliášová, Pavla; Čejka, Jiří; Lucas, T. C.; Hriljac, J. A.; Pinar, A. B.; Morris, R. E.

    2016-01-01

    Roč. 45, č. 36 (2016), s. 14124-14130 ISSN 1477-9226 R&D Projects: GA ČR GBP106/12/G015 Institutional support: RVO:61388955 Keywords : Distribution functions * Rietveld refinement * Zeolites Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.029, year: 2016

  13. Measuring coalition functioning: refining constructs through factor analysis.

    Science.gov (United States)

    Brown, Louis D; Feinberg, Mark E; Greenberg, Mark T

    2012-08-01

    Internal and external coalition functioning is an important predictor of coalition success that has been linked to perceived coalition effectiveness, coalition goal achievement, coalition ability to support evidence-based programs, and coalition sustainability. Understanding which aspects of coalition functioning best predict coalition success requires the development of valid measures of empirically unique coalition functioning constructs. The goal of the present study is to examine and refine the psychometric properties of coalition functioning constructs in the following six domains: leadership, interpersonal relationships, task focus, participation benefits/costs, sustainability planning, and community support. The authors used factor analysis to identify problematic items in our original measure and then piloted new items and scales to create a more robust, psychometrically sound, multidimensional measure of coalition functioning. Scales displayed good construct validity through correlations with other measures. Discussion considers the strengths and weaknesses of the refined instrument.

  14. The new insight into the structure-activity relation of Pd/CeO2-ZrO2-Nd2O3 catalysts by Raman, in situ DRIFTS and XRD Rietveld analysis.

    Science.gov (United States)

    Yang, X; Yang, L; Lin, J; Zhou, R

    2016-01-28

    Pd/CeO2-ZrO2-Nd2O3 (CZN) catalysts with different CeO2/ZrO2 molar ratios were synthesized and have been characterized by multiple techniques, e.g. XRD in combination with Rietveld refinement, UV-Raman, XPS and in situ DRIFTS. The XRD pattern of CZN with CeO2/ZrO2 molar ratios ≥1/2 can be indexed satisfactorily to the fluorite structure with a space group Fm3̄m, while the XRD patterns of CZ12 only display diffraction peaks of the tetragonal phase (S.G. P42/nmc). Nd addition can effectively stabilize the cubic structure of the CZN support and increase the enrichment of defect sites on the surface, which may be related to the better catalytic activity of Pd/CZN12 catalysts compared with Pd/CZ12. The presence of moderate ZrO2 can increase the concentration of O* active species, leading to accelerate the formation of nitrate species and thus enhance the catalytic activity of NOx and HC elimination. The Pd-dispersion decreases with the increasing Zr content, leading to the decreased CO catalytic activity, especially for the aged catalysts. The change regularity of the OSC value is almost the same with the in situ dynamic operational window, demonstrating that the in situ dynamic operational window is basically affected by the OSC value.

  15. A modified Rietveld method to model highly anisotropic ceramics

    International Nuclear Information System (INIS)

    Tutuncu, G.; Motahari, M.; Daymond, M.R.; Ustundag, E.

    2012-01-01

    High energy X-ray diffraction was employed to probe the complex constitutive behavior of a polycrystalline ferroelectric material in various sample orientations. Pb(Zn,Nb)O 3 –Pb(Zr,Ti)O 3 (PZN–PZT) ceramics were subjected to a cyclic bipolar electric field while diffraction patterns were taken. Using transmission geometry and a two-dimensional detector, lattice strain and texture evolution (domain switching) were measured in multiple sample directions simultaneously. In addition, texture analysis suggests that non-180° domain switching is coupled with lattice strain evolution during uniaxial electrical loading. As a result of this material’s high strain anisotropy, the full-pattern Rietveld method was inadequate to analyze the diffraction data. Instead, a modified Rietveld method, which includes an elastic anisotropy term, yielded significant improvements in the data analysis results.

  16. Refining intra-protein contact prediction by graph analysis

    Directory of Open Access Journals (Sweden)

    Eyal Eran

    2007-05-01

    Full Text Available Abstract Background Accurate prediction of intra-protein residue contacts from sequence information will allow the prediction of protein structures. Basic predictions of such specific contacts can be further refined by jointly analyzing predicted contacts, and by adding information on the relative positions of contacts in the protein primary sequence. Results We introduce a method for graph analysis refinement of intra-protein contacts, termed GARP. Our previously presented intra-contact prediction method by means of pair-to-pair substitution matrix (P2PConPred was used to test the GARP method. In our approach, the top contact predictions obtained by a basic prediction method were used as edges to create a weighted graph. The edges were scored by a mutual clustering coefficient that identifies highly connected graph regions, and by the density of edges between the sequence regions of the edge nodes. A test set of 57 proteins with known structures was used to determine contacts. GARP improves the accuracy of the P2PConPred basic prediction method in whole proteins from 12% to 18%. Conclusion Using a simple approach we increased the contact prediction accuracy of a basic method by 1.5 times. Our graph approach is simple to implement, can be used with various basic prediction methods, and can provide input for further downstream analyses.

  17. Refined analysis results for multimedia network costs and profits

    DEFF Research Database (Denmark)

    Tahkokorpi, M.; Falch, Morten; Skouby, Knud Erik

    This deliverable describes the techno-economic business model developed in EURORIM WP3 and presents the refined results of the multimedia service delivery cost-profit calculations......This deliverable describes the techno-economic business model developed in EURORIM WP3 and presents the refined results of the multimedia service delivery cost-profit calculations...

  18. The Analysis of the Refined Financial Management of Modern Enterprises

    Directory of Open Access Journals (Sweden)

    Li Ran

    2016-01-01

    Full Text Available This paper briefly introduces the concept of the refined financial management, elaborates on its characteristics and puts forward some main points about it. It also comes up with some personal suggestions for reference on effective ways of refining financial management.

  19. Refined generalized multiscale entropy analysis for physiological signals

    Science.gov (United States)

    Liu, Yunxiao; Lin, Youfang; Wang, Jing; Shang, Pengjian

    2018-01-01

    Multiscale entropy analysis has become a prevalent complexity measurement and been successfully applied in various fields. However, it only takes into account the information of mean values (first moment) in coarse-graining procedure. Then generalized multiscale entropy (MSEn) considering higher moments to coarse-grain a time series was proposed and MSEσ2 has been implemented. However, the MSEσ2 sometimes may yield an imprecise estimation of entropy or undefined entropy, and reduce statistical reliability of sample entropy estimation as scale factor increases. For this purpose, we developed the refined model, RMSEσ2, to improve MSEσ2. Simulations on both white noise and 1 / f noise show that RMSEσ2 provides higher entropy reliability and reduces the occurrence of undefined entropy, especially suitable for short time series. Besides, we discuss the effect on RMSEσ2 analysis from outliers, data loss and other concepts in signal processing. We apply the proposed model to evaluate the complexity of heartbeat interval time series derived from healthy young and elderly subjects, patients with congestive heart failure and patients with atrial fibrillation respectively, compared to several popular complexity metrics. The results demonstrate that RMSEσ2 measured complexity (a) decreases with aging and diseases, and (b) gives significant discrimination between different physiological/pathological states, which may facilitate clinical application.

  20. Rietveld refinement, impedance spectroscopy and magnetic properties of Bi{sub 0.8}Sr{sub 0.2}FeO{sub 3} substituted Na{sub 0.5}Bi{sub 0.5}TiO{sub 3} ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Kumari, Rekha [Department of Applied Physics, Guru Jambheshwar University of Science & Technology, Hisar 125001, Haryana (India); Ahlawat, Neetu, E-mail: neetugju@yahoo.co.in [Department of Applied Physics, Guru Jambheshwar University of Science & Technology, Hisar 125001, Haryana (India); Agarwal, Ashish; Sanghi, Sujata [Department of Applied Physics, Guru Jambheshwar University of Science & Technology, Hisar 125001, Haryana (India); Sindhu, Monica [Department of Physics, MKJK College, Rohtak 124001, Haryana (India); Ahlawat, Navneet [Matu Ram Institute of Engineering and Management, Rohtak 124001, Haryana (India)

    2016-09-15

    We herein presented the investigation on the structural, electrical and magnetic properties of (1−x)(Na{sub 0.5}Bi{sub 0.5}TiO{sub 3})–x(Bi{sub 0.8}Sr{sub 0.2}FeO{sub 3}) polycrystalline ceramic samples, with x=0.1, 0.3, 0.5 and 0.7. These samples were prepared by conventional solid state reaction method and the crystalline phase of prepared ceramics was identified with the help of X-ray diffraction pattern. Rietveld analysis of the obtained XRD data confirmed that all the synthesized samples adopt the rhombohedral crystal structure with R3c space group. Impedance spectroscopic measurements were performed on all the compositions in the frequency range 10 Hz–5 MHz to probe the electrical microstructure of polycrystalline (1−x)(Na{sub 0.5}Bi{sub 0.5}TiO{sub 3})–x(Bi{sub 0.8}Sr{sub 0.2}FeO{sub 3}) ceramics, which changes significantly as a function of x (content of BSFO). A significant increase in dielectric constant has been observed with increase in BSFO concentration, which was attributed to enhancement of oxygen vacancies. Detailed study of impedance complex plane plots revealed the presence of non-Debye type relaxation for all the prepared systems and enabled us to separate the contribution from grains and grain boundaries. Equivalent circuit model (R{sub g}CPE{sub g})(R{sub gb}CPE{sub gb})(R{sub e}CPE{sub e}) was employed to explain the impedance data for all the prepared samples. The activation energies obtained from electric modulus as well as dc conductivity increase with increase in BSFO content, which approaches the value 1 eV and indicates an Arrehenius type thermally activated process. Remnant magnetization (M{sub r}) and coercive field (H{sub c}) are found to be increase with BSFO concentration. - Highlights: • (1−x)NBT–xBSFO (x=0.1, 0.3, 0.5, 0.7) ceramics were prepared. • There is no change in crystal structure. • These can be used as data storage materials.

  1. Refined isogeometric analysis for a preconditioned conjugate gradient solver

    KAUST Repository

    Garcia, Daniel

    2018-02-12

    Starting from a highly continuous Isogeometric Analysis (IGA) discretization, refined Isogeometric Analysis (rIGA) introduces C0 hyperplanes that act as separators for the direct LU factorization solver. As a result, the total computational cost required to solve the corresponding system of equations using a direct LU factorization solver dramatically reduces (up to a factor of 55) Garcia et al. (2017). At the same time, rIGA enriches the IGA spaces, thus improving the best approximation error. In this work, we extend the complexity analysis of rIGA to the case of iterative solvers. We build an iterative solver as follows: we first construct the Schur complements using a direct solver over small subdomains (macro-elements). We then assemble those Schur complements into a global skeleton system. Subsequently, we solve this system iteratively using Conjugate Gradients (CG) with an incomplete LU (ILU) preconditioner. For a 2D Poisson model problem with a structured mesh and a uniform polynomial degree of approximation, rIGA achieves moderate savings with respect to IGA in terms of the number of Floating Point Operations (FLOPs) and computational time (in seconds) required to solve the resulting system of linear equations. For instance, for a mesh with four million elements and polynomial degree p=3, the iterative solver is approximately 2.6 times faster (in time) when applied to the rIGA system than to the IGA one. These savings occur because the skeleton rIGA system contains fewer non-zero entries than the IGA one. The opposite situation occurs for 3D problems, and as a result, 3D rIGA discretizations provide no gains with respect to their IGA counterparts when considering iterative solvers.

  2. Application of the Rietveld method in powders of strontium-doped lanthanum manganite calcined in different temperatures

    International Nuclear Information System (INIS)

    Chiba, R.; Vargas, R.A.; Martinez, L.G.; Andreoli, M.; Seo, E.S.M.

    2010-01-01

    The strontium-doped lanthanum manganite (LSM) is a ceramic material used as cathode in device called High Temperature Solid Oxide Fuel Cell. In this work, the LSM was synthesized by the citrate technique with the objective to get powders without the formation of secondary phases, such as lanthanum oxide and the lanthanum hydroxide, harmful for the functional performance of the device. The definitive calcination temperatures had been 700, 900 and 1100 deg C, due the decomposition of the polymeric precursors to present stabilization from 480 deg C. The analysis by X-ray diffraction of the calcined powders in different temperatures shows the formation only of phase LSM of hexagonal crystalline structure, type pseudo-perovskite. Using the refinement of Rietveld was determined the parameters and volumes of unity cells, atomic positions and occupations. These results confirm that the chemical compositions obtained are similar to the nominal. (author)

  3. The analysis of powder diffraction data

    International Nuclear Information System (INIS)

    David, W.I.F.; Harrison, W.T.A.

    1986-01-01

    The paper reviews neutron powder diffraction data analysis, with emphasis on the structural aspects of powder diffraction and the future possibilities afforded by the latest generation of very high resolution neutron and x-ray powder diffractometers. Traditional x-ray powder diffraction techniques are outlined. Structural studies by powder diffraction are discussed with respect to the Rietveld method, and a case study in the Rietveld refinement method and developments of the Rietveld method are described. Finally studies using high resolution powder diffraction at the Spallation Neutron Source, ISIS at the Rutherford Appleton Laboratory are summarized. (U.K.)

  4. Application of powder X-ray diffraction and the Rietveld method to the analysis of oxidation processes and products in sulphidic mine tailings

    DEFF Research Database (Denmark)

    Balic Zunic, Tonci; Katerinopoulou, Anna; Edsberg, Anders

    2011-01-01

    silica were applied as proper models. The procedures developed on test mixtures result in estimated errors of determination typically lower than 2 wt%. The approach was applied to the analysis of the complex problem of estimating mass balance in oxidized mine tailings from the Nanisivik Mine, Nunavut......, Canada revealing an oxidized proportion of 9 % of total pyrite content in the well drained tailings during a period of 8 years and a negligible oxidation in the water-covered tailings....

  5. Biomass refining for sustainable development : analysis and directions

    NARCIS (Netherlands)

    Luo, Lin

    2010-01-01

    To understand the contribution of biomass refining to sustainable development, the technical, environmental and economic aspects are summarized in this thesis. This work begins from life cycle assessment (LCA) of bioethanol from lignocellulosic feedstocks such as corn stover, sugarcane and bagasse,

  6. Refined discrete and empirical horizontal gradients in VLBI analysis

    Science.gov (United States)

    Landskron, Daniel; Böhm, Johannes

    2018-02-01

    empirical a priori gradients slightly reduce (improve) the BLRs with respect to the estimation of gradients. In general, this paper addresses that a priori horizontal gradients are actually more important for VLBI analysis than previously assumed, as particularly the discrete model GRAD as well as the empirical model GPT3 are indeed able to refine and improve the results.

  7. Analysis model for forecasting extreme temperature using refined rank set pair

    Directory of Open Access Journals (Sweden)

    Qiao Ling-Xia

    2013-01-01

    Full Text Available In order to improve the precision of forecasting extreme temperature time series, a refined rank set pair analysis model with a refined rank transformation function is proposed to improve precision of its prediction. The measured values of the annual highest temperature of two China’s cities, Taiyuan and Shijiazhuang, in July are taken to examine the performance of a refined rank set pair model.

  8. Analysis of complex time series using refined composite multiscale entropy

    International Nuclear Information System (INIS)

    Wu, Shuen-De; Wu, Chiu-Wen; Lin, Shiou-Gwo; Lee, Kung-Yen; Peng, Chung-Kang

    2014-01-01

    Multiscale entropy (MSE) is an effective algorithm for measuring the complexity of a time series that has been applied in many fields successfully. However, MSE may yield an inaccurate estimation of entropy or induce undefined entropy because the coarse-graining procedure reduces the length of a time series considerably at large scales. Composite multiscale entropy (CMSE) was recently proposed to improve the accuracy of MSE, but it does not resolve undefined entropy. Here we propose a refined composite multiscale entropy (RCMSE) to improve CMSE. For short time series analyses, we demonstrate that RCMSE increases the accuracy of entropy estimation and reduces the probability of inducing undefined entropy.

  9. Chromatography Analysis of Jatropha Curcas L Oil Raw and Refined

    International Nuclear Information System (INIS)

    Chitue de Assuncao Nascimento, Juliano; Lafargue Perez, Francisco; Diaz Velazquez, Manuel

    2013-01-01

    The chromatography of gases is one of the most versatile methods utilized in the chemical laboratory, which permits the determinations of the percentages and types of fatty acids present in vegetable oils. The objective of this work was to carry out a comparative study of the composition of the fatty acids, of the mechanically extracted oil from the seed of the Jatropha curcas L plant in the raw and refined state, using the data obtained by gas chromatography. The fatty acids of the oil were determined as methylic esteres. The analyst was carried out in a gas chromatographer, with a detector of ionization by way of flame (FID), Agilent 7890A (Agilent, USA) coupled to HP Pentium 4 computer, with a data processing program. The temperatures of the injector and of the detector were 250 °C and 260 °C respectively. The data obtained chromatographically of the oil of Jatropha curcas L, raw and refined indicates that the refinery process did not vary the composition of the fatty acid, because there are no significant differences between them. Also, the results obtained by other investigators, showed that the predominant fatty acids obtained from the oil of the Jatropha curcas L were palmitic and stearic in the saturated fatty acids, and oleic and linoleic in the unsaturated fatty acids

  10. Chromatography analysis of Jatropha Curcas L oil raw and refined

    International Nuclear Information System (INIS)

    Chitue de Assuncao Nascimento, Juliano; Lafargue Perez, Francisco; Diaz Velazquez, Manuel

    2013-01-01

    The chromatography of gases is one of the most versatile methods utilized in the chemical laboratory, which permits the determinations of the percentages and types of fatty acids present in vegetable oils. The objective of this work was to carry out a comparative study of the composition of the fatty acids, of the mechanically extracted oil from the seed of the Jatropha curcas L plant in the raw and refined state, using the data obtained by gas chromatography. The fatty acids of the oil were determined as methylic esteres. The analyst was carried out in a gas chromatographer, with a detector of ionization by way of flame (FID), Agilent 7890A (Agilent, USA) coupled to HP Pentium 4 computer, with a data processing program. The temperatures of the injector and of the detector were 250℃ and 260℃ respectively. The data obtained chromatographically of the oil of Jatropha curcas L, raw and refined indicates that the refinery process did not vary the composition of the fatty acid, because there are no significant differences between them. Also, the results obtained by other investigators, showed that the predominant fatty acids obtained from the oil of the Jatropha curcas L were palmitic and stearic in the saturated fatty acids, and oleic and linoleic in the unsaturated fatty acids

  11. Price Relationships in the Petroleum Market: An Analysis of Crude Oil and Refined Product Prices

    International Nuclear Information System (INIS)

    Asche, Frank; Gjoelberg, Ole; Voelker, Teresa

    2001-08-01

    In this paper the relationships between crude oil and refined product prices are investigated in a multivariate framework. This allows us to test several (partly competing) assumptions of earlier studies. In particular, we find that the crude oil price is weakly exogenous and that the spread is constant in some but not all relationships. Moreover, the multivariate analysis shows that the link between crude oil prices and several refined product prices implies market integration for these refined products. This is an example of supply driven market integration and producers will change the output mix in response to price changes. (author)

  12. Price relationships in the petroleum market. An analysis of crude oil and refined product prices

    International Nuclear Information System (INIS)

    Asche, Frank; Gjoelberg, Ole; Volker, Teresa

    2003-01-01

    In this paper the relationships between crude oil and refined product prices are investigated in a multivariate framework. This allows us to test several (partly competing) assumptions of earlier studies. In particular, we find that the crude oil price is weakly exogenous and that the spread is constant in some but not all relationships. Moreover, the multivariate analysis shows that the link between crude oil prices and several refined product prices implies market integration for these refined products. This is an example of supply driven market integration and producers will change the output mix in response to price changes

  13. Price relationships in the petroleum market: an analysis of crude oil and refined product prices

    International Nuclear Information System (INIS)

    Asche, F.; Gjoelberg, O.; Voelker, T.

    2003-01-01

    In this paper the relationships between crude oil and refined product prices are investigated in a multivariate framework. This allows us to test several (partly competing) assumptions of earlier studies. In particular, we find that the crude oil price is weakly exogenous and that the spread is constant in some but not all relationships. Moreover, the multivariate analysis shows that the link between crude oil prices and several refined product prices implies market integration for these refined products. This is an example of supply driven market integration and producers will change the output mix in response to price changes. (author)

  14. Study of the superconducting compound Hg,Re-1223 by X-Ray diffraction with application of Rietveld method

    International Nuclear Information System (INIS)

    Putvinskis, Rodrigo

    2008-01-01

    The objective of this work was to study the crystal structure of the superconductor compound of nominal composition Hg 0,82 Re 0,18 Ba 2 Ca 2 Cu 3 O 8+δ and general formula Hg,Re- 1223 and different oxygen contents, by the X-ray diffraction technique, by using the Rietveld method. The studied samples present different oxygen stoichiometry because during the synthesis process, had been heat treated under different oxygen/argon gas mixtures in the ratios: 5:95, 10:90 and 15:85. The results of structural refinement for the samples show that different oxygen contents imply in different cell parameters, atomic positions and distances for the main phase of each sample. The segregation of two superconducting phases with the same crystal structure, but slightly different cell parameters was confirmed for the studied samples both by Rietveld analysis and anomalous X-ray diffraction experiments. It was also confirmed that one of the segregated phases does not incorporate Re cations its composition. The main phase, who incorporates the Re cations, is here called Hg,Re-1223 and the Re-free secondary phase is called Hg- 1223. It was found that the superconducting phases present different crystallite sizes and the sample treated under gas flow composed of 10% oxygen and 90% argon presents the highest fraction of superconducting phases. From these results it was possible to conclude that the sample produced from the precursor compound treated under flow of O 2 /Ar gas at the ratio 10/90 presents the better results for the synthesis of this superconducting compound. (author)

  15. Comprehensive adaptive mesh refinement in wrinkling prediction analysis

    NARCIS (Netherlands)

    Selman, A.; Meinders, Vincent T.; Huetink, Han; van den Boogaard, Antonius H.

    2002-01-01

    Discretisation errors indicator, contact free wrinkling and wrinkling with contact indicators are, in a challenging task, brought together and used in a comprehensive approach to wrinkling prediction analysis in thin sheet metal forming processes.

  16. Refined analysis of piping systens according to nuclear standard regulations

    International Nuclear Information System (INIS)

    Bisconti, N.; Lazzeri, L.; Strona, P.P.

    1975-01-01

    A number of programs have been selected to perform particular analyses partly coming from available libraries such as SAP 4 for static and dynamic analysis, partly directly written such as TRATE (for thermal analysis), VASTA, VASTB (to perform the analysis required by ASME 3 for pipings of class A and class B), CFRS (for the calculation of floor response spectra etc.). All the programs are automatically linked and directed by a general program (SCATCA for class A and SCATCB for class B pipings). The starting point is a list of the fabrication, thermal, geometrical and seismic data. The geometrical data are plotted (to check for possible errors) and fed to SAP for static and dynamic analysis together with seismic data and thermal data (average temperatures) reelaborated by TRATE 2 code. The raw data from SAP (weight, thermal, fixed points displacements, seismic, other dynamic) are concerned and reordered and fed to COMBIN 2 program together with the other data from thermal analysis (from TRATE 2). From Combin 2 program all the data are listed; each load set to be considered is provided, for each point, with the necessary data (thermal moments, pressure, average temperatures, thermal gradients), all the data from seismic, weight, and other dynamic analysis are also provided. All this amount of data is stored on a file and examined by VASTA code (for class A) or VASTB (for classes B,C) in order to make a decision about the acceptability of the design. Each subprogram may have an independent output in order to check partial results. Details about each program are provided and an exemple is given, together with a discussion of some-particular problems (thermohydraulic set definition, fatigue analysis, etc.)

  17. Refinement and testing of analysis nudging in MPAS-A ...

    Science.gov (United States)

    The Model for Prediction Across Scales - Atmosphere (MPAS-A) is being adapted to serve as the meteorological driver for EPA’s “next-generation” air-quality model. To serve that purpose, it must be able to function in a diagnostic mode where past meteorological conditions are represented in greater detail and accuracy than can be provided by available observational data and meteorological reanalysis products. MPAS-A has been modified to allow four dimensional data assimilation (FDDA) by the nudging of temperature, humidity and wind toward target values predefined on the MPAS-A computational mesh. The technique of “analysis nudging” developed for the Penn State / NCAR Mesoscale Model – Version 4 (MM4), and later applied in the Weather Research and Forecasting model (WRF), is applied here in MPAS-A with adaptations for the unstructured Voronoi mesh used in MPAS-A. Test simulations for the periods of January and July 2013, with and without FDDA, are compared to target fields at various vertical levels and to surface-level meteorological observations. The results show the ability to follow target fields with high fidelity while still maintaining conservation of mass as in the original model. The results also show model errors relative to observations continue to be constrained throughout the simulations using FDDA and even show some error reduction during the first few days that could be attributable to the finer resolution of the 92-25 km computa

  18. Investigation on the evolution of microstructure and texture of electroplated Ni–Ti composite coating by Rietveld method

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Yuantao, E-mail: zhaoyuantao@sjtu.edu.cn; Cai, Fei, E-mail: caifei32@126.com; Wang, Chengxi, E-mail: sjtucxw@sjtu.edu.cn; Chai, Ze, E-mail: zechaisjtu@163.com; Zhu, Kaiyuan, E-mail: xrd125@163.com; Xu, Zhou, E-mail: xuzhou@sjtu.edu.cn; Jiang, Chuanhai, E-mail: chjiang-sjtu@hotmail.com

    2015-10-30

    Highlights: • Ni–Ti composite coatings were prepared by electroplating. • Morphology and Ti content of Ni–Ti coatings were studied upon SEM and EDXS. • Microstructures of Ni–Ti coatings were studied upon the Rietveld method. • The texture of Ni–Ti coatings was studied upon the pole figure. - Abstract: Rietveld refinement was utilized to investigate the evolution of microstructure and texture of the Ni–Ti composite coatings electroplated at different applied current densities. Scanning Electron Microscope and Energy Dispersive Spectroscopy were utilized to investigate the morphology and chemical composition of the coatings. Relative texture coefficients (RTC) and measured pole figures were utilized to investigate the texture evolution of the coatings. The results showed that the surface morphology of the coatings changed from a colonial structure to a polyhedral one. And the incorporated Ti content decreased with increasing applied current density. As the applied current density increased, the crystallite sizes increased and their distribution got less uniform, and the microstrain and dislocation density decreased. The results of simulated pole figures obtained from Rietveld refinement illustrated that the texture of the coatings changed from no obvious texture to a strong [2 0 0] fiber texture with increasing applied current density. The texture evolution obtained from simulated pole figures was confirmed by the result of RTC and the measured pole figures. The evolutions of the microstructure and texture were derived from the change of the applied current density and incorporated Ti content in the Ni–Ti composite coatings.

  19. Crystal structures of new cuprates containing CO3 analyzed by the Rietveld method of neutron powder diffraction

    International Nuclear Information System (INIS)

    Miyazaki, Y.; Yamane, H.; Kajitani, T.; Hiraga, K.; Hirai, T.; Morii, Y.; Funahashi, S.

    1993-01-01

    New compounds containing CO 3 groups, Sr 2 CuO 2 (CO 3 ), (C 0.4 Cu 0.6 )Sr 2 (Y 0.86 Sr 0.14 )Cu 2 O 7 and (C 0.35 Cu 0.65 )Sr 2 (Y 0.73 Ce 0.27 ) 2 Cu 2 O 9 , were prepared as stable phases at 1273-1303 K in a flowing gas of O 2 -CO 2 . The crystal structures of these compounds were refined by means of the Rietveld analysis for neutron powder diffraction data collected using a high resolution powder diffractometer (HRPD) in the JRR-3M reactor hall of the Japan Atomic Energy Research Institute (JAERI). Positions of CO 3 groups were satisfactorily determined. The distances of C-O bonds in the CO 3 groups were around 1.3A and the O-C-O angles were almost equal to the ideal bond angle of 120deg. (author)

  20. THE QUESTION OF THE EFFECTIVENESS OF OIL REFINING IN RUSSIA: AN ECONOMETRIC ANALYSIS

    Directory of Open Access Journals (Sweden)

    Sokolov A. V.

    2016-09-01

    Full Text Available The relations between the financial statements’ figures of the complex of refining companies - the core of Russian refining industry from 2006 to 2013 - were analyzed using component and regression analysis from the standpoint of the effectiveness of their activities during the modernization period. Through the component analysis the main factors that influenced the final financial results of the enterprises during the given period were determined. Regression models of panel data with fixed and random effects were made for 19 enterprises. Regression analysis revealed no statistically significant dependencies of the efficiency (profitability on the production scale (enterprise revenue. The dynamics of certain types of expenses were analyzed in order to explain the differences in the profitability dynamics. It revealed virtually no difference in the values of the individual effects of enterprises in different areas of specialization (profile.

  1. A research of the mineralogy phases of clinker in a spanish cement using the method of Rietveld

    International Nuclear Information System (INIS)

    Castanon Ana M; Garcia Granda Santiago; Guerrero Ana M; Gomez Fernandez Fernando

    2012-01-01

    In order to introduce continuously a quality control method in a Spanish cement factory to improve the final product feature new research methodology is being developed. The Rietveld method [1] has been successfully used to analyze the composition of the main phases of clinker. Using this methodologies, research has been carried out to quantize appropriately the minor phase of free lime which is extremely important in the clinker quality. This method leads to satisfactory results on samples with contents in CaO from 3%. These results are possible combining X- ray diffraction and fluorescence techniques as well as the chemical analysis data. Clinker, the Rietveld method, free lime.

  2. Application of the Rietveld method to assess chromium(VI) speciation in chromite ore processing residue

    International Nuclear Information System (INIS)

    Chrysochoou, Maria; Dermatas, Dimitris

    2007-01-01

    The Rietveld method allows the quantification of crystalline phases and amorphous material identified by X-ray powder diffraction (XRPD) and other diffraction methods. The method assists in determining the speciation of contaminants in solid matrices both qualitatively and quantitatively in a statistically defensible approach, as it does not focus on a microscale. Rietveld was applied to chromite ore processing residue (COPR), a cementitious waste containing hexavalent chromium. Calcium aluminum chromium oxide hydrates (CACs) were the crystalline phases identified by XRPD that bind Cr 6+ in COPR according to their chemical formula. Rietveld quantification, combined with mass balances on Cr 6+ , showed that CACs may bind Cr 6+ in variable percentages, ranging from 25% to 85%. Analysis of duplicate samples showed that material variability is the predominant factor of uncertainty in evaluating the role of CACs in Cr 6+ speciation, provided that a consistent quantification strategy is pursued. The choice of strategy was performed on the basis of the pertinent literature, preliminary analyses of the equipment and the software settings, and mass balances. The correlation between the average CAC-bound Cr 6+ concentration and the total Cr 6+ for five samples (R 2 = 0.94), extracted from different zones and soil borings, suggests that CACs are a primary sink for Cr 6+ in COPR

  3. Presence of a monoclinic (Pm) phase in the morphotropic phase boundary region of multiferroic (1 − x)Bi(Ni{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} solid solution: A Rietveld study

    Energy Technology Data Exchange (ETDEWEB)

    Pandey, Rishikesh, E-mail: akhilesh-bhu@yahoo.com, E-mail: aksingh.mst@itbhu.ac.in; Singh, Akhilesh Kumar, E-mail: akhilesh-bhu@yahoo.com, E-mail: aksingh.mst@itbhu.ac.in [School of Materials Science and Technology, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005 (India)

    2014-07-28

    We present here the results of structural studies on multiferroic (1 − x)Bi(Ni{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} solid solution using Rietveld analysis on powder x-ray diffraction data in the composition range 0.35 ≤ x ≤ 0.55. The stability region of various crystallographic phases at room temperature for (1 − x)Bi(Ni{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} is determined precisely. Structural transformation from pseudo-cubic (x ≤ 0.40) to tetragonal (x ≥ 0.50) phase is observed via phase coexistence region demarcating the morphotropic phase boundary. The morphotropic phase boundary region consists of coexisting tetragonal and monoclinic structures with space group P4mm and Pm, respectively, stable in composition range 0.41 ≤ x ≤ 0.49 as confirmed by Rietveld analysis. The results of Rietveld analysis completely rule out the coexistence of rhombohedral and tetragonal phases in the morphotropic phase boundary region reported by earlier workers. A comparison between the bond lengths for “B-site cations-oxygen anions” obtained after Rietveld refinement, with the bond length calculated using Shannon-Prewitt ionic radii, reveals the ionic nature of B-O (Ni/Ti-O) bonds for the cubic phase and partial covalent character for the other crystallographic phases.

  4. An empirical analysis of lumpy investment. The case of US petroleum refining industry

    International Nuclear Information System (INIS)

    Asano, Hirokatsu

    2002-01-01

    This paper employs five econometric models to examine lumpy investment and investigates the investment behavior of the US petroleum refining industry. Firms in the industry are classified into three groups by their size. All three groups show zero investment, disinvestment and investment in accordance with economic conditions. The analysis finds the minimum amount of investment and disinvestment for each group, which suggests that the size of fixed costs of investment is substantial, regardless of firm size. However, small firms adjust capital stock more slowly than medium or large firms. The analysis also suggests the existence of a convex adjustment cost

  5. Quantitative analysis of retained austenite in laser melted martensitic stainless steel

    CSIR Research Space (South Africa)

    Seleka, T

    2007-11-01

    Full Text Available of this study was to determine if X-ray diffraction (XRD) was sufficient for quantifying the volume percentage of retained austenite. After a preliminary qualitative analysis, a Rietveld full pattern refinement program was used to quantify the volume percentage...

  6. Rietveld refinement of KLaTiO4 from X-ray powder data

    Directory of Open Access Journals (Sweden)

    Bai-Chuan Zhu

    2011-04-01

    Full Text Available Potassium lanthanum titanate(IV, KLaTiO4, has been synthesized by conventional solid-state reaction. It crystallizes isotypically with the NaLnTiO4 (Ln = La, Pr, Nd, Sm, Eu, Gd, Y and Lu family. Five of the six atoms in the asymmetric unit (one K, one La, one Ti and two O atoms are situated on sites with 4mm symmetry, whereas one O atom has 2mm. site symmetry. The crystal structure can be described as being composed of single layers of distorted corner-sharing TiO6 octahedra extending parallel to (001. The layers are alternately separated by K+ and La3+ cations along [001]. The coordination number of both K+ and La3+ cations is nine, resulting in distorted KO9 and LaO9 polyhedra.

  7. A refined element-based Lagrangian shell element for geometrically nonlinear analysis of shell structures

    Directory of Open Access Journals (Sweden)

    Woo-Young Jung

    2015-04-01

    Full Text Available For the solution of geometrically nonlinear analysis of plates and shells, the formulation of a nonlinear nine-node refined first-order shear deformable element-based Lagrangian shell element is presented. Natural co-ordinate-based higher order transverse shear strains are used in present shell element. Using the assumed natural strain method with proper interpolation functions, the present shell element generates neither membrane nor shear locking behavior even when full integration is used in the formulation. Furthermore, a refined first-order shear deformation theory for thin and thick shells, which results in parabolic through-thickness distribution of the transverse shear strains from the formulation based on the third-order shear deformation theory, is proposed. This formulation eliminates the need for shear correction factors in the first-order theory. To avoid difficulties resulting from large increments of the rotations, a scheme of attached reference system is used for the expression of rotations of shell normal. Numerical examples demonstrate that the present element behaves reasonably satisfactorily either for the linear or for geometrically nonlinear analysis of thin and thick plates and shells with large displacement but small strain. Especially, the nonlinear results of slit annular plates with various loads provided the benchmark to test the accuracy of related numerical solutions.

  8. Analysis of solvent dyes in refined petroleum products by electrospray ionization mass spectrometry

    Science.gov (United States)

    Rostad, C.E.

    2010-01-01

    Solvent dyes are used to color refined petroleum products to enable differentiation between gasoline, diesel, and jet fuels. Analysis for these dyes in the hydrocarbon product is difficult due to their very low concentrations in such a complex matrix. Flow injection analysis/electrospray ionization/mass spectrometry in both negative and positive mode was used to optimize ionization of ten typical solvent dyes. Samples of hydrocarbon product were analyzed under similar conditions. Positive electrospray ionization produced very complex spectra, which were not suitably specific for targeting only the dyes. Negative electrospray ionization produced simple spectra because aliphatic and aromatic moieties were not ionized. This enabled screening for a target dye in samples of hydrocarbon product from a spill.

  9. Refining revolution

    Energy Technology Data Exchange (ETDEWEB)

    Fesharaki, F.; Isaak, D.

    1984-01-01

    A review of changes in the oil refining industry since 1973 examines the drop in capacity use and its effect on profits of the Organization of Economic Cooperation and Development (OECD) countries compared to world refining. OPEC countries used their new oil revenues to expand Gulf refineries, which put additional pressure on OECD refiners. OPEC involvement in global marketing, however, could help to secure supplies. Scrapping some older OECD refineries could improve the percentage of capacity in use if new construction is kept to a minimum. Other issues facing refiners are the changes in oil demand patterns and government responses to the market. 2 tables.

  10. Creating value in refining

    International Nuclear Information System (INIS)

    Cobb, C.B.

    2001-01-01

    This article focuses on recent developments in the US refining industry and presents a model for improving the performance of refineries based on the analysis of the refining industry by Cap Gemini Ernst and Young. The identification of refineries in risk of failing, the construction of pipelines for refinery products from Gulf State refineries, mergers and acquisitions, and poor financial performance are discussed. Current challenges concerning the stagnant demand for refinery products, environmental regulations, and shareholder value are highlighted. The structure of the industry, the creation of value in refining, and the search for business models are examined. The top 25 US companies and US refining business groups are listed

  11. Development of refined MCNPX-PARET multi-channel model for transient analysis in research reactors

    Energy Technology Data Exchange (ETDEWEB)

    Kalcheva, S.; Koonen, E. [SCK-CEN, BR2 Reactor Dept., Boeretang 200, 2400 Mol (Belgium); Olson, A. P. [RERTR Program, Nuclear Engineering Div., Argonne National Laboratory, Cass Avenue, Argonne, IL 60439 (United States)

    2012-07-01

    Reactivity insertion transients are often analyzed (RELAP, PARET) using a two-channel model, representing the hot assembly with specified power distribution and an average assembly representing the remainder of the core. For the analysis of protected by the reactor safety system transients and zero reactivity feedback coefficients this approximation proves to give adequate results. However, a more refined multi-channel model representing the various assemblies, coupled through the reactivity feedback effects to the whole reactor core is needed for the analysis of unprotected transients with excluded over power and period trips. In the present paper a detailed multi-channel PARET model has been developed which describes the reactor core in different clusters representing typical BR2 fuel assemblies. The distribution of power and reactivity feedback in each cluster of the reactor core is obtained from a best-estimate MCNPX calculation using the whole core geometry model of the BR2 reactor. The sensitivity of the reactor response to power, temperature and energy distributions is studied for protected and unprotected reactivity insertion transients, with zero and non-zero reactivity feedback coefficients. The detailed multi-channel model is compared vs. simplified fewer-channel models. The sensitivities of transient characteristics derived from the different models are tested on a few reactivity insertion transients with reactivity feedback from coolant temperature and density change. (authors)

  12. Structural determination of new solid solutions [Y2-x Mx ][Sn2-x Mx ]O7-3x/2 (M = Mg or Zn by Rietveld method

    Directory of Open Access Journals (Sweden)

    Mohamed Douma

    2010-12-01

    Full Text Available New [Y2-x Mx][Sn2-x Mx]O7-3x/2 (0 ≤x≤ 0.30 for M = Mg and 0 ≤x≤ 0.36 for M = Zn solid solutions with the pyrochlore structure were synthesized via high-temperature solid-state reaction method. Powder X-ray diffraction (PXRD patterns and Fourier transform infrared (FT-IR spectra showed that these materials are new non-stoichiometric solid solutions with the pyrochlore type structure. The structural parameters for the solids obtained were successfully determined by Rietveld refinement based on the analysis of the PXRD diagrams. Lattice parameter (a of these solid solutions decreases when x increases in both series. All samples obtained have the pyrochlore structure Fd-3m, no. 227 (origin at center -3m with M2+ (M = Mg2+ or Zn2+ cations in Y3+ and Sn4+ sites, thus creating vacancies in the anionic sublattice.

  13. Quantitative determination of phases in ZrO2 (MgO) (Y2O3) using the Rietveld method

    International Nuclear Information System (INIS)

    Castro, Antonio Carlos de

    2007-01-01

    The key objective of this work is the crystallographic characterization of the zircon co-doped with Yttria and magnesium with the application of the Rietveld method for quantitative phase analysis of zircon polymorph (zircon monoclinic, tetragonal, and cubic). Samples of zircon polymorph were obtained from zircon doped with Yttria and magnesium at defined molar concentrations. The zircon polymorph stability during subeutetoid aging at 1350 deg C were investigated to determine ZrO 2 - MgO - Y 2 0 3 phases degradation and to define the solid solutions stability environment. ZrO 2 powders doped with 8 mol por cent of MgO and 1 mol por cent of Y 2 O 3 , and 9 mol por cent of MgO and 0 mol por cent of Y 2 O 3 have been prepared by chemical route using the co-precipitation method. These samples have been calcinate at 550 deg C, sintered at 1500 deg C and characterized by the Rietveld method using the X-ray diffraction data. The variation of the lattice parameter, changes in the phase composition and their microstructures are discussed. The application of the Rietveld method for quantitative phase analysis of zircon polymorph (zircon tetragonal and cubic) reveals no formation of tetragonal phase and indicating that the matrix is the cubic phase with low concentration of monoclinic phase.(author)

  14. Ab-initio crystal structure analysis and refinement approaches of oligo p-benzamides based on electron diffraction data

    DEFF Research Database (Denmark)

    Gorelik, Tatiana E; van de Streek, Jacco; Kilbinger, Andreas F M

    2012-01-01

    Ab-initio crystal structure analysis of organic materials from electron diffraction data is presented. The data were collected using the automated electron diffraction tomography (ADT) technique. The structure solution and refinement route is first validated on the basis of the known crystal stru...

  15. Free Vibration Analysis of Composite Plates via Refined Theories Accounting for Uncertainties

    Directory of Open Access Journals (Sweden)

    G. Giunta

    2011-01-01

    Full Text Available The free vibration analysis of composite thin and relatively thick plates accounting for uncertainty is addressed in this work. Classical and refined two-dimensional models derived via Carrera's Unified Formulation (CUF are considered. Material properties and geometrical parameters are supposed to be random. The fundamental frequency related to the first bending eigenmode is stochastically described in terms of the mean value, the standard deviation, the related confidence intervals and the cumulative distribution function. The Monte Carlo Method is employed to account for uncertainty. Cross-ply, simply supported, orthotropic plates are accounted for. Symmetric and anti-symmetric lay-ups are investigated. Displacements based and mixed two-dimensional theories are adopted. Equivalent single layer and layer wise approaches are considered. A Navier type solution is assumed. The conducted analyses have shown that for the considered cases, the fundamental natural frequency is not very sensitive to the uncertainty in the material parameters, while uncertainty in the geometrical parameters should be accounted for. In the case of thin plates, all the considered models yield statistically matching results. For relatively thick plates, the difference in the mean value of the natural frequency is due to the different number of degrees of freedom in the model.

  16. Rietveld analysis, dielectric and impedance behaviour of Mn /Fe ion ...

    Indian Academy of Sciences (India)

    Figure 1 compares X-ray diffraction patterns of pow- ders calcined at temperature .... ground, absorption coefficient, atomic positions, two theta zero error, thermal ... attributed to segregation of Mn and Fe at grain boundaries. (Dai et al 1995).

  17. Analysis and development of spatial hp-refinement methods for solving the neutron transport equation

    International Nuclear Information System (INIS)

    Fournier, D.

    2011-01-01

    The different neutronic parameters have to be calculated with a higher accuracy in order to design the 4. generation reactor cores. As memory storage and computation time are limited, adaptive methods are a solution to solve the neutron transport equation. The neutronic flux, solution of this equation, depends on the energy, angle and space. The different variables are successively discretized. The energy with a multigroup approach, considering the different quantities to be constant on each group, the angle by a collocation method called SN approximation. Once the energy and angle variable are discretized, a system of spatially-dependent hyperbolic equations has to be solved. Discontinuous finite elements are used to make possible the development of hp-refinement methods. Thus, the accuracy of the solution can be improved by spatial refinement (h-refinement), consisting into subdividing a cell into sub-cells, or by order refinement (p-refinement), by increasing the order of the polynomial basis. In this thesis, the properties of this methods are analyzed showing the importance of the regularity of the solution to choose the type of refinement. Thus, two error estimators are used to lead the refinement process. Whereas the first one requires high regularity hypothesis (analytical solution), the second one supposes only the minimal hypothesis required for the solution to exist. The comparison of both estimators is done on benchmarks where the analytic solution is known by the method of manufactured solutions. Thus, the behaviour of the solution as a regard of the regularity can be studied. It leads to a hp-refinement method using the two estimators. Then, a comparison is done with other existing methods on simplified but also realistic benchmarks coming from nuclear cores. These adaptive methods considerably reduces the computational cost and memory footprint. To further improve these two points, an approach with energy-dependent meshes is proposed. Actually, as the

  18. Valence electron structure analysis of refining mecha-nism of Sc and Ti additions on aluminum

    Institute of Scientific and Technical Information of China (English)

    LI PieJie; YE YiCong; HE LiangJu

    2009-01-01

    The mechanism of the difference of refining effect between Sc and Ti adding to aluminum can not be explained substantially with traditional theory. Valence electron structures of AI-Ti and Al-Sc alloys have been studied by using the empirical electron theory of solids and molecules (EET). The covalent bond electron numbers and interfacial electron density differences are calculated. The conclusion is that, in the two alloys, different covalent bond electron numbers of nucleation particles, and different electron densities on the interface between the second phase particles and the matrix, fundamentally lead to the difference of refining effect between Sc and Ti adding to aluminum.

  19. Refinement of the X-linked cataract locus (CXN) and gene analysis for CXN and Nance-Horan syndrome (NHS).

    Science.gov (United States)

    Brooks, Simon; Ebenezer, Neil; Poopalasundaram, Subathra; Maher, Eamonn; Francis, Peter; Moore, Anthony; Hardcastle, Alison

    2004-06-01

    The X-linked congenital cataract (CXN) locus has been mapped to a 3-cM (approximately 3.5 Mb) interval on chromosome Xp22.13, which is syntenic to the mouse cataract disease locus Xcat and encompasses the recently refined Nance-Horan syndrome (NHS) locus. A positional cloning strategy has been adopted to identify the causative gene. In an attempt to refine the CXN locus, seven microsatellites were analysed within 21 individuals of a CXN family. Haplotypes were reconstructed confirming disease segregation with markers on Xp22.13. In addition, a proximal cross-over was observed between markers S3 and S4, thereby refining the CXN disease interval by approximately 400 Kb to 3.2 Mb, flanked by markers DXS9902 and S4. Two known genes (RAI2 and RBBP7) and a novel gene (TL1) were screened for mutations within an affected male from the CXN family and an NHS family by direct sequencing of coding exons and intron- exon splice sites. No mutations or polymorphisms were identified, therefore excluding them as disease-causative in CXN and NHS. In conclusion, the CXN locus has been successfully refined and excludes PPEF1 as a candidate gene. A further three candidates were excluded based on sequence analysis. Future positional cloning efforts will focus on the region of overlap between CXN, Xcat, and NHS.

  20. Gerrit Rietveld. Casas después de la Schroeder

    Directory of Open Access Journals (Sweden)

    Rafael García

    1997-07-01

    Full Text Available Las historias de la arquitectura moderna han incidido una y otra vez en un reducido número de obras que por su insistente atención, han llegado a convertirse en hitos imprescindibles. Entre estos edificios canónicos y prácticamente obligados, está la célebre casa Schröder-Schräder (1924' del arquitecto holandés Gerrit Rietveld. Ampliamente conocida por el público interesado, su gran popularidad ha tenido sin embargo, el efecto de dejar en segundo plano el resto de su obra arquitectónica. A ello se debe añadir además, el hecho de que su trayectoria está fundamentalmente asociada al movimiento neoplasticista, lo que ha tenido por resultado desviar la atención de una obra posterior, más difícilmente clasificable. Sin embargo, ello no significa que dicha obra sea en absoluto carente de atractivo.

  1. Quantitative analysis of hydroperoxy-, keto- and hydroxy-dienes in refined vegetable oils.

    Science.gov (United States)

    Morales, Arturo; Marmesat, Susana; Dobarganes, M Carmen; Márquez-Ruiz, Gloria; Velasco, Joaquín

    2012-03-16

    Quantitative analysis of the main oxidation products of linoleic acid - hydroperoxy-, keto- and hydroxy-dienes - in refined oils is proposed in this study. The analytical approach consists of derivatization of TAGs into FAMEs and direct analysis by HPLC-UV. Two transmethylation methods run at room temperature were evaluated. The reactants were KOH in methanol in method 1 and sodium methoxide (NaOMe) in method 2. Method 1 was ruled out because resulted in losses of hydroperoxydienes as high as 90 wt%. Transmethylation with NaOMe resulted to be appropriate as derivatization procedure, although inevitably also gives rise to losses of hydroperoxydienes, which were lower than 10 wt%, and formation of keto- and hydroxy-dienes as a result. An amount of 0.6-2.1 wt% of hydroperoxydienes was transformed into keto- and hydroxy-dienes, being the formation of the former as much as three times higher. The method showed satisfactory sensitivity (quantification limits of 0.3 μg/mL for hydroperoxy- and keto-dienes and 0.6 μg/mL for hydroxydienes), precision (coefficients of variation ≤ 6% for hydroperoxydienes and ≤ 15% for keto- and hydroxy-dienes) and accuracy (recovery values of 85(± 4), 99(± 2) and 97.0(± 0.6) % for hydroperoxy-, keto- and hydroxy-dienes, respectively). The method was applied to samples of high-linoleic (HLSO), high-oleic (HOSO) and high-stearic high-oleic (HSHOSO) sunflower oils oxidized at 40 °C. Results showed that the higher the linoleic-to-oleic ratio, the higher were the levels of hydroperoxy-, keto- and hydroxy-dienes when tocopherols were completely depleted, i.e. at the end of the induction period (IP). Levels of 23.7, 2.7 and 1.1 mg/g oil were found for hydroperoxy-, keto- and hydroxy-dienes, respectively, in the HLSO when tocopherol was practically exhausted. It was estimated that hydroperoxydienes constituted approximately 100, 95 and 60% of total hydroperoxides in the HLSO, HOSO and HSHOSO, respectively, along the IP. Copyright © 2012

  2. Action Refinement

    NARCIS (Netherlands)

    Gorrieri, R.; Rensink, Arend; Bergstra, J.A.; Ponse, A.; Smolka, S.A.

    2001-01-01

    In this chapter, we give a comprehensive overview of the research results in the field of action refinement during the past 12 years. The different approaches that have been followed are outlined in detail and contrasted to each other in a uniform framework. We use two running examples to discuss

  3. Refining margins and prospects

    International Nuclear Information System (INIS)

    Baudouin, C.; Favennec, J.P.

    1997-01-01

    Refining margins throughout the world have remained low in 1996. In Europe, in spite of an improvement, particularly during the last few weeks, they are still not high enough to finance new investments. Although the demand for petroleum products is increasing, experts are still sceptical about any rapid recovery due to prevailing overcapacity and to continuing capacity growth. After a historical review of margins and an analysis of margins by regions, we analyse refining over-capacities in Europe and the unbalances between production and demand. Then we discuss the current situation concerning barriers to the rationalization, agreements between oil companies, and the consequences on the future of refining capacities and margins. (author)

  4. Emission and Performance analysis of hydrotreated refined sunflower oil as alternate fuel

    Directory of Open Access Journals (Sweden)

    J. Hemanandh

    2015-09-01

    Full Text Available The experiments were conducted by using the hydrotreated refined sunflower oil as alternative fuel in a 4-stroke, stationary DI diesel engine at a constant speed of 1500 rpm. The effects of hydrotreated vegetable oil blends on diesel engine emission and performance were studied. The emission and performance were studied for different proportions such as HTSF B25 and HTSF B100 and at different loading conditions and comparison was made with petrodiesel. The emission and performance results of HTSF B25 and HTSF B100 showed that decrease in CO by 9% and 37%, HC by 42% and 55%, NOx by 10% and 18.18%, BSFC by 25% and 12.5%. The increase in brake thermal efficiency was by 10% and 38%. It was observed from the study that hydrotreatment of refined sunflower oil could be one of the best alternative fuels for the diesel engine.

  5. Refinement of Out of Circularity and Thickness Measurements of a Cylinder for Finite Element Analysis

    Science.gov (United States)

    2016-09-01

    refined finite element model. Note that the longitudinal seam weld at θ = 0° (= 360°) runs along the green area and through the centre of the red...Longitudinal seam weld is a theta = 0/360 deg UNCLASSIFIED DST-Group-TN-1521 UNCLASSIFIED 7 Figure 2. Example of thickness distribution in the... weld seam at 0° is clearly evident. Inspection of similar graphs for all sections indicates similarly good comparison between the measured and

  6. Refined analysis of RGHWs of code pairs coming from Garcia-Stichtenoth’s second tower

    Directory of Open Access Journals (Sweden)

    Olav Geil

    2017-01-01

    Full Text Available Asymptotically good sequences of ramp secret sharing schemes were given in [5] by using one-point algebraic geometric codes defined from asymptotically good towers of function fields. Their security is given by the relative generalized Hamming weights of the corresponding codes. In this paper we demonstrate how to obtain refined information on the RGHWs when the codimension of the codes is small. For general codimension, we give an improved estimate for the highest RGHW.

  7. NOMAD-Ref: visualization, deformation and refinement of macromolecular structures based on all-atom normal mode analysis.

    Science.gov (United States)

    Lindahl, Erik; Azuara, Cyril; Koehl, Patrice; Delarue, Marc

    2006-07-01

    Normal mode analysis (NMA) is an efficient way to study collective motions in biomolecules that bypasses the computational costs and many limitations associated with full dynamics simulations. The NOMAD-Ref web server presented here provides tools for online calculation of the normal modes of large molecules (up to 100,000 atoms) maintaining a full all-atom representation of their structures, as well as access to a number of programs that utilize these collective motions for deformation and refinement of biomolecular structures. Applications include the generation of sets of decoys with correct stereochemistry but arbitrary large amplitude movements, the quantification of the overlap between alternative conformations of a molecule, refinement of structures against experimental data, such as X-ray diffraction structure factors or Cryo-EM maps and optimization of docked complexes by modeling receptor/ligand flexibility through normal mode motions. The server can be accessed at the URL http://lorentz.immstr.pasteur.fr/nomad-ref.php.

  8. Spanish Refining

    International Nuclear Information System (INIS)

    Lores, F.R.

    2001-01-01

    An overview of petroleum refining in Spain is presented (by Repsol YPF) and some views on future trends are discussed. Spain depends heavily on imports. Sub-headings in the article cover: sources of crude imports, investments and logistics and marketing, -detailed data for each are shown diagrammatically. Tables show: (1) economic indicators (e.g. total GDP, vehicle numbers and inflation) for 1998-200; (2) crude oil imports for 1995-2000; (3) oil products balance for 1995-2000; (4) commodities demand, by product; (5) refining in Spain in terms of capacity per region; (6) outlets in Spain and other European countries in 2002 and (7) sales distribution channel by product

  9. A research of the mineralogy phases of clinker in a spanish cement using the method of Rietveld

    International Nuclear Information System (INIS)

    Castanon, Ana M; Garcia, Granda Santiago; Guerrero, Ana M; Gomez Fernandez, Fernando

    2012-01-01

    In order to introduce continuously a quality control method in a Spanish cement factory to improve the final product feature new research methodology is being developed. The Rietveld method [1] has been successfully used to analyze the composition of the main phases of clinker. Using this methodologies, research has been carried out to quantize appropriately the minor phase of free lime which is extremely important in the clinker quality. This method leads to satisfactory results on samples with contents in CaO from 3%. These results are possible combining X- ray diffraction and fluorescence techniques as well as the chemical analysis data.

  10. Statistical refinements for data analysis of mollusc reproduction tests: an example with Lymnaea stagnalis

    DEFF Research Database (Denmark)

    Holbech, Henrik

    -contribution of each individual to the measured response. Furthermore, the combination of a Gamma-Poisson stochastic part with a Weibull concentration-response model allowed accounting for the inter-replicate variability. Second, we checked for the possibility of optimizing the initial experimental design through...... was twofold. First, we refined the statistical analyses of reproduction data accounting for mortality all along the test period. The variable “number of clutches/eggs produced per individual-day” was used for EC x modelling, as classically done in epidemiology in order to account for the time...

  11. Refining a self-assessment of informatics competency scale using Mokken scaling analysis.

    Science.gov (United States)

    Yoon, Sunmoo; Shaffer, Jonathan A; Bakken, Suzanne

    2015-01-01

    Healthcare environments are increasingly implementing health information technology (HIT) and those from various professions must be competent to use HIT in meaningful ways. In addition, HIT has been shown to enable interprofessional approaches to health care. The purpose of this article is to describe the refinement of the Self-Assessment of Nursing Informatics Competencies Scale (SANICS) using analytic techniques based upon item response theory (IRT) and discuss its relevance to interprofessional education and practice. In a sample of 604 nursing students, the 93-item version of SANICS was examined using non-parametric IRT. The iterative modeling procedure included 31 steps comprising: (1) assessing scalability, (2) assessing monotonicity, (3) assessing invariant item ordering, and (4) expert input. SANICS was reduced to an 18-item hierarchical scale with excellent reliability. Fundamental skills for team functioning and shared decision making among team members (e.g. "using monitoring systems appropriately," "describing general systems to support clinical care") had the highest level of difficulty, and "demonstrating basic technology skills" had the lowest difficulty level. Most items reflect informatics competencies relevant to all health professionals. Further, the approaches can be applied to construct a new hierarchical scale or refine an existing scale related to informatics attitudes or competencies for various health professions.

  12. A Study on the quantification of hydration and the strength development mechanism of cementitious materials including amorphous phases by using XRD/Rietveld method

    International Nuclear Information System (INIS)

    Yamada, Kazuo; Hoshino, Seiichi; Hirao, Hiroshi; Yamashita, Hiroki

    2008-01-01

    X-ray diffraction (XRD)/Rietveld method was applied to measure the phase composition of cement. The quantative analysis concerning the progress of hydration was accomplished in an error of about the maximum 2-3% in spite of including amorphous materials such as blast furnace slag, fly ash, silica fume and C-S-H. The influence of the compressive strength on the lime stone fine powder mixture material was studied from the hydration analysis by Rietveld method. The two stages were observed in the strength development mechanism of cement; the hydration promotion of C 3 S in the early stage and the filling of cavities by carbonate hydrate for the longer term. It is useful to use various mixture materials for the formation of the resource recycling society and the durability improvement of concrete. (author)

  13. Mesh refinement and numerical sensitivity analysis for parameter calibration of partial differential equations

    Science.gov (United States)

    Becker, Roland; Vexler, Boris

    2005-06-01

    We consider the calibration of parameters in physical models described by partial differential equations. This task is formulated as a constrained optimization problem with a cost functional of least squares type using information obtained from measurements. An important issue in the numerical solution of this type of problem is the control of the errors introduced, first, by discretization of the equations describing the physical model, and second, by measurement errors or other perturbations. Our strategy is as follows: we suppose that the user defines an interest functional I, which might depend on both the state variable and the parameters and which represents the goal of the computation. First, we propose an a posteriori error estimator which measures the error with respect to this functional. This error estimator is used in an adaptive algorithm to construct economic meshes by local mesh refinement. The proposed estimator requires the solution of an auxiliary linear equation. Second, we address the question of sensitivity. Applying similar techniques as before, we derive quantities which describe the influence of small changes in the measurements on the value of the interest functional. These numbers, which we call relative condition numbers, give additional information on the problem under consideration. They can be computed by means of the solution of the auxiliary problem determined before. Finally, we demonstrate our approach at hand of a parameter calibration problem for a model flow problem.

  14. Hierarchical prediction of industrial water demand based on refined Laspeyres decomposition analysis.

    Science.gov (United States)

    Shang, Yizi; Lu, Shibao; Gong, Jiaguo; Shang, Ling; Li, Xiaofei; Wei, Yongping; Shi, Hongwang

    2017-12-01

    A recent study decomposed the changes in industrial water use into three hierarchies (output, technology, and structure) using a refined Laspeyres decomposition model, and found monotonous and exclusive trends in the output and technology hierarchies. Based on that research, this study proposes a hierarchical prediction approach to forecast future industrial water demand. Three water demand scenarios (high, medium, and low) were then established based on potential future industrial structural adjustments, and used to predict water demand for the structural hierarchy. The predictive results of this approach were compared with results from a grey prediction model (GPM (1, 1)). The comparison shows that the results of the two approaches were basically identical, differing by less than 10%. Taking Tianjin, China, as a case, and using data from 2003-2012, this study predicts that industrial water demand will continuously increase, reaching 580 million m 3 , 776.4 million m 3 , and approximately 1.09 billion m 3 by the years 2015, 2020 and 2025 respectively. It is concluded that Tianjin will soon face another water crisis if no immediate measures are taken. This study recommends that Tianjin adjust its industrial structure with water savings as the main objective, and actively seek new sources of water to increase its supply.

  15. Refined multiscale fuzzy entropy based on standard deviation for biomedical signal analysis.

    Science.gov (United States)

    Azami, Hamed; Fernández, Alberto; Escudero, Javier

    2017-11-01

    Multiscale entropy (MSE) has been a prevalent algorithm to quantify the complexity of biomedical time series. Recent developments in the field have tried to alleviate the problem of undefined MSE values for short signals. Moreover, there has been a recent interest in using other statistical moments than the mean, i.e., variance, in the coarse-graining step of the MSE. Building on these trends, here we introduce the so-called refined composite multiscale fuzzy entropy based on the standard deviation (RCMFE σ ) and mean (RCMFE μ ) to quantify the dynamical properties of spread and mean, respectively, over multiple time scales. We demonstrate the dependency of the RCMFE σ and RCMFE μ , in comparison with other multiscale approaches, on several straightforward signal processing concepts using a set of synthetic signals. The results evidenced that the RCMFE σ and RCMFE μ values are more stable and reliable than the classical multiscale entropy ones. We also inspect the ability of using the standard deviation as well as the mean in the coarse-graining process using magnetoencephalograms in Alzheimer's disease and publicly available electroencephalograms recorded from focal and non-focal areas in epilepsy. Our results indicated that when the RCMFE μ cannot distinguish different types of dynamics of a particular time series at some scale factors, the RCMFE σ may do so, and vice versa. The results showed that RCMFE σ -based features lead to higher classification accuracies in comparison with the RCMFE μ -based ones. We also made freely available all the Matlab codes used in this study at http://dx.doi.org/10.7488/ds/1477 .

  16. Latest Developments in Data Analysis and Structure Determination and Refinement: Software for Chemical Crystallography

    International Nuclear Information System (INIS)

    Dix, I.; Adam, M.; Jacob, H. F.; Roter, A.

    2003-01-01

    The introduction of a two-dimensional CCD X-ray detector nearly 10 years ago by Bruker started a revolution in chemical crystallography. Since then, crystallographers can accomplish a complete data collection even of small and poorly scattering crystals in a few hours instead of days. The launch of the kappa geometry by Nonius a few years ago beforehand equally revolutionized the field of single crystal diffractometry. Currently Bruker Nonius has far more than 500 CCD systems installed. The latest development of Bruker Nonius, the X8 APEX, is the powerful combination of both: the APEX CCD detector and the unique Kappa four-circle goniometer. The APEX 4K CCD detector provides the utmost sensitivity, while the Kappa four-circle goniometer offers a very open geometry, granting all the flexibility to align any crystallographic axis. This provides a more efficient data collection for axial photographs to investigate e.g. diffuse scattering or incommensurate structures. Even the crystal-detector distance is computer-controlled for precise and superior data collection. The X8 APEX software suite gives a whole new look to the CCD users interface. It not only has improved data collection abilities, but also guides the chemist or mineralogist through gathering the raw crystal data to producing the final crystal structure. It provides context-dependent menus, which are well-known from business software packages such as Outlook. The tools for unit cell determination, views into reciprocal space, optimisation of the data collection strategy, data integration, scaling and correcting (SADABS) as well as tools for structure solving and refining (SHELXTL package) will be presented. Low temperature work has become an essential tool for challenging samples. The Bruker Nonius Kryo-Flex cryogenic device makes chemical crystallography at low temperatures a routine method in your laboratory. Of course, the Kryo-Flex is fully controlled by the new graphical user interface of the X8 APEX

  17. An Isogeometric Design-through-analysis Methodology based on Adaptive Hierarchical Refinement of NURBS, Immersed Boundary Methods, and T-spline CAD Surfaces

    Science.gov (United States)

    2012-01-22

    Bungartz HJ, Rank E, Niggl A, Romberg R. Extending the p-Version of Finite Elements by an Octree-Based Hierarchy. In: Widlund OB, Keyes DE (eds...generalization to higher dimensions. We test hierarchical refinement of NURBS for some elementary fluid and structural analysis problems in two and three...with straightforward implementation in tree data structures and simple generalization to higher dimensions. We test hierarchical refinement of NURBS

  18. Refined Models for an Analysis of Internal and External Buckling Modes of a Monolayer in a Layered Composite

    Science.gov (United States)

    Paimushin, V. N.

    2017-11-01

    For an analysis of internal and external buckling modes of a monolayer inside or at the periphery of a layered composite, refined geometrically nonlinear equations are constructed. They are based on modeling the monolayer as a thin plate interacting with binder layers at the points of boundary surfaces. The binder layer is modeled as a transversely soft foundation. It is assumed the foundations, previously compressed in the transverse direction (the first loading stage), have zero displacements of its external boundary surfaces at the second loading stage, but the contact interaction of the plate with foundations occurs without slippage or delamination. The deformation of the plate at a medium flexure is described by geometrically nonlinear relations of the classical plate theory based on the Kirchhoff-Love hypothesis (the first variant) or the refined Timoshenko model with account of the transverse shear and compression (the second variant). The foundation is described by linearized 3D equations of elasticity theory, which are simplified within the framework of the model of a transversely soft layer. Integrating the linearized equations along the transverse coordinate and satisfying the kinematic joining conditions of the plate with foundations, with account of their initial compression in the thickness direction, a system of 2D geometrically nonlinear equations and appropriate boundary conditions are derived. These equations describe the contact interaction between elements of the deformable system. The relations obtained are simplified for the case of a symmetric stacking sequence.

  19. Refined Analysis of Fatigue Crack Initiation Life of Beam-to-Column Welded Connections of Steel Frame under Strong Earthquake

    Directory of Open Access Journals (Sweden)

    Weilian Qu

    2017-01-01

    Full Text Available This paper presents a refined analysis for evaluating low-cycle fatigue crack initiation life of welded beam-to-column connections of steel frame structures under strong earthquake excitation. To consider different length scales between typical beam and column components as well as a few crucial beam-to-column welded connections, a multiscale finite element (FE model having three different length scales is formulated. The model can accurately analyze the inelastic seismic response of a steel frame and then obtain in detail elastoplastic stress and strain field near the welded zone of the connections. It is found that the welded zone is subjected to multiaxial nonproportional loading during strong ground motion and the elastoplastic stress-strain field of the welded zone is three-dimensional. Then, using the correlation of the Fatemi-Socie (FS parameter versus fatigue life obtained by the experimental crack initiation fatigue data of the structural steel weldment subjected to multiaxial loading, the refined evaluation approach of fatigue crack initiation life is developed based on the equivalent plastic strain at fatigue critical position of beam end seams of crucial welded connections when the steel frame is subjected to the strong earthquake excitation.

  20. Report on the analysis of the quality assurance and quality control data for the petroleum refining sector

    International Nuclear Information System (INIS)

    Thorton, N.; Michajluk, S.; Powell, T.; Lee, G.

    1992-07-01

    The Ontario Municipal-Industrial Strategy for Abatement (MISA) program has the ultimate goal of virtual elimination of persistent toxic contaminants from all discharges to provincial waterways. MISA effluent monitoring regulations, first promulgated for the petroleum refining sector, require direct dischargers to monitor their effluents for a specified number of contaminants and a specified frequency over a one-year period. The refineries were also required to carry out a quality control program on all process effluent streams and for specified analytical test groups. Two types of quality assurance/quality control (QA/QC) data were required: field QA/QC, which would indicate problems with field contamination or sampling, and laboratory QA/QC, which would indicate problems with the laboratory. The objectives of QA/QC analysis are to identify the significance of biases, chronic contamination, data variability, and false results, to assess data validity, and to allow data comparability among companies and laboratories. Of the 149 parameters monitored in the petroleum refining sector, 34 qualified as candidates for setting effluent limits. The QA/QC evaluation of monitoring data for the 34 parameters confirmed the presence of 18 parameters at such levels that they could be used to set statistically valid quantitative limits. 50 tabs

  1. Crystal-Chemical Analysis of Soil at Rocknest, Gale Crater

    Science.gov (United States)

    Morrison, S. M.; Downs, R. T.; Blake, D. F.; Bish, D. L.; Ming, D. W.; Morris, R. V.; Yen, A. S.; Chipera, S. J.; Treiman, A. H.; Vaniman, D. T.; hide

    2013-01-01

    The CheMin instrument on the Mars Science Laboratory rover Curiosity performed X-ray diffraction analysis on Martian soil [1] at Rocknest in Gale Crater. In particular, crystalline phases from scoop 5 were identified and analyzed with the Rietveld method [2]. Refined unit-cell parameters are reported in Table 1. Comparing these unit-cell parameters with those in the literature provides an estimate of the chemical composition of the crystalline phases. For instance, Fig. 1 shows the Mg-content of Fa-Fo olivine as a function of the b unit-cell parameter using literature data. Our refined b parameter is indicated by the black triangle.

  2. Rietveld refinement of the mixed boracite Fe1.59Zn1.41B7O13Br

    Directory of Open Access Journals (Sweden)

    Sandra Ulloa-Godínez

    2009-11-01

    Full Text Available The structural characterization of the new iron–zinc heptaborate bromide with composition Fe1.59Zn1.41B7O13Br, prepared by chemical transport is reported. A rigid-body model with constrained generalized coordinates was defined in order to hold the positions of the B atoms at reasonable interatomic distances that typically would reach unacceptable values because of the weak scattering power of boron. There are three independent sites for the B atoms of which two are tetrahedrally coordinated. The bond-valence sum around the third B atom, located on a threefold rotation axis, was calculated considering two cases of coordination of boron with oxygens: trigonal-planar and tetrahedral. The contribution of the fourth O atom to the bond-valence sum was found to be only 0.06 v.u., indicating the presence of a very weak bond in the right position to have a distorted tetrahedral coordination in favour of the trigonal-planar coordination for the third B atom. X-ray fluorescence (XRF was used to determinate the Fe/Zn ratio.

  3. Rietveld refinement of the mixed boracite Fe(1.59)Zn(1.41)B(7)O(13)Br.

    Science.gov (United States)

    Ulloa-Godínez, Sandra; Rosales, Ivonne; Bucio, Lauro; Farías, Mario H; Campa-Molina, Jorge

    2009-10-31

    The structural characterization of the new iron-zinc hepta-borate bromide with composition Fe(1.59)Zn(1.41)B(7)O(13)Br, prepared by chemical transport is reported. A rigid-body model with constrained generalized coordinates was defined in order to hold the positions of the B atoms at reasonable inter-atomic distances that typically would reach unacceptable values because of the weak scattering power of boron. There are three independent sites for the B atoms of which two are tetra-hedrally coordinated. The bond-valence sum around the third B atom, located on a threefold rotation axis, was calculated considering two cases of coordination of boron with oxygens: trigonal-planar and tetrahedral. The contribution of the fourth O atom to the bond-valence sum was found to be only 0.06 v.u., indicating the presence of a very weak bond in the right position to have a distorted tetra-hedral coordination in favour of the trigonal-planar coordination for the third B atom. X-ray fluorescence (XRF) was used to determinate the Fe/Zn ratio.

  4. Cooling curve analysis in binary Al-Cu alloys: Part II- Effect of Cooling Rate and Grain Refinement on The Thermal and Thermodynamic Characteristics

    Directory of Open Access Journals (Sweden)

    Mehdi Dehnavi

    2015-09-01

    Full Text Available The Al-Cu alloys have been widely used in aerospace, automobile, and airplane applications. Generally Al–Ti and Al–Ti–B master alloys are added to the aluminium alloys for grain refinement. The cooling curve analysis (CCA has been used extensively in metal casting industry to predict microstructure constituents, grain refinement and to calculate the latent heat of solidification. The aim of this study is to investigate the effect of cooling rate and grain refinement on the thermal and thermodynamic characteristics of Al-Cu alloys by cooling curve analysis. To do this, Al-Cu alloys containing 3.7, and 4.8 wt.% Cu were melted and solidified with 0.04, 0.19, 0.42, and 1.08 K/s cooling rates. The temperature of the samples was recorded using a K thermocouple and a data acquisition system connected to a PC. Some samples were Grain refined by Al-5Ti-1B to see the effect of grain refinement on the aforementioned properties. The results show that, in a well refined alloy, nucleation will occur in a shorter time, and a undercooling approximately decreases to zero. The other results show that, with considering the cooling rate being around 0.1 °C/s, the Newtonian method is efficient in calculating the latent heat of solidification.

  5. Toward microfluidic sperm refinement: continuous flow label-free analysis and sorting of sperm cells

    NARCIS (Netherlands)

    de Wagenaar, B.; Dekker, Stefan; van den Berg, Albert; Segerink, Loes Irene

    2015-01-01

    This manuscript reports upon the development of a microfluidic setup to detect and sort sperm cells from polystyrene beads label-free and non-invasively. Detection is performed by impedance analysis. When sperm cells passed the microelectrodes, the recorded impedance (19.6 ± 5.7 Ω) was higher

  6. Refining the Classification of Children with Selective Mutism: A Latent Profile Analysis

    Science.gov (United States)

    Cohan, Sharon L.; Chavira, Denise A.; Shipon-Blum, Elisa; Hitchcock, Carla; Roesch, Scott C.; Stein, Murray B.

    2008-01-01

    The goal of this study was to develop an empirically derived classification system for selective mutism (SM) using parent-report measures of social anxiety, behavior problems, and communication delays. The sample consisted of parents of 130 children (ages 5-12) with SM. Results from latent profile analysis supported a 3-class solution made up of…

  7. EL APARADOR DE RIETVELD DEL MUSEO NACIONAL DE ARTES DECORATIVAS (MADRID.

    Directory of Open Access Journals (Sweden)

    María Villalba Salvador

    2012-01-01

    Full Text Available Este artículo trata de hacer una aproximación al estudio de una de las piezas más relevantes de la historia del diseño de mobiliario de vanguardia: el aparador de Rietveld, también conocido como Buffet Elling. Su diseño data de 1919, y responde a la estética propia del autor en aquellos años posteriores a la Primera Guerra Mundial, cuyas piezas son coincidentes con los planteamientos artísticos del grupo De Stijl. Es representativo de los principios básicos de la obra de Rietveld, uno de los pioneros del funcionalismo junto con J.J.P. Oud, en cuanto a la opción por el diseño y la arquitectura, y por la producción en masa y el diseño industrial accesible al conjunto de la sociedad. Merece destacar la colaboración de Gerard A. Van de Groenekan, asistente de Rietveld a lo largo de toda su trayectoria artística. Esta pieza nos ayuda a estudiar el pensamiento de Gerrit Th. Rietvel en relación con el diseño de vanguardia.This article tries to be an approach to the study of one of the most relevant pieces of furniture in the history of the design of avant-garde furniture: Rietveld´s dresser, also known as Elling Buffet. It was designed in 1919, and it shows the author´s aesthetics in the years that followed World War I, with pieces that are much related to the artistic orientation of the group De Stijl. It clearly shows the main characteristics of Rietveld´s work, one of the pioneers of functionalism, together with J.J.P. Oud, regarding design and architecture, mass production and industrial design accessible to society as a whole. It is worth mentioning the collaboration of Gerard A. Van de Groenekan, Rietveld´s assistant throughout his artistic trajectory. This piece of furniture helps us study Rietveld´s thinking regarding avant-garde design.

  8. The value of continuity: Refined isogeometric analysis and fast direct solvers

    KAUST Repository

    Garcia, Daniel

    2016-08-26

    We propose the use of highly continuous finite element spaces interconnected with low continuity hyperplanes to maximize the performance of direct solvers. Starting from a highly continuous Isogeometric Analysis (IGA) discretization, we introduce . C0-separators to reduce the interconnection between degrees of freedom in the mesh. By doing so, both the solution time and best approximation errors are simultaneously improved. We call the resulting method

  9. The value of continuity: Refined isogeometric analysis and fast direct solvers

    KAUST Repository

    Garcia, Daniel; Pardo, David; Dalcin, Lisandro; Paszyński, Maciej; Collier, Nathan; Calo, Victor M.

    2016-01-01

    We propose the use of highly continuous finite element spaces interconnected with low continuity hyperplanes to maximize the performance of direct solvers. Starting from a highly continuous Isogeometric Analysis (IGA) discretization, we introduce . C0-separators to reduce the interconnection between degrees of freedom in the mesh. By doing so, both the solution time and best approximation errors are simultaneously improved. We call the resulting method

  10. Refined inelastic analysis of piping systems using a beam-type program

    International Nuclear Information System (INIS)

    Millard, A.; Hoffmann, A.

    1981-08-01

    A finite element for inelastic piping analysis has been presented, which enables accounting for local effects like thermal gradients and supplies local states of stresses and strains, while keeping all the advantages of a classical beam type program (easy to use, simple boundary conditions, cost effectiveness). Thanks to the local description of the cross section, geometrical non-linearity due to inertia modification can be introduced together with material non-linearity. The element can also be degenerated into a straight pipe element

  11. Techno-economic analysis of the deacetylation and disk refining process: characterizing the effect of refining energy and enzyme usage on minimum sugar selling price and minimum ethanol selling price.

    Science.gov (United States)

    Chen, Xiaowen; Shekiro, Joseph; Pschorn, Thomas; Sabourin, Marc; Tucker, Melvin P; Tao, Ling

    2015-01-01

    A novel, highly efficient deacetylation and disk refining (DDR) process to liberate fermentable sugars from biomass was recently developed at the National Renewable Energy Laboratory (NREL). The DDR process consists of a mild, dilute alkaline deacetylation step followed by low-energy-consumption disk refining. The DDR corn stover substrates achieved high process sugar conversion yields, at low to modest enzyme loadings, and also produced high sugar concentration syrups at high initial insoluble solid loadings. The sugar syrups derived from corn stover are highly fermentable due to low concentrations of fermentation inhibitors. The objective of this work is to evaluate the economic feasibility of the DDR process through a techno-economic analysis (TEA). A large array of experiments designed using a response surface methodology was carried out to investigate the two major cost-driven operational parameters of the novel DDR process: refining energy and enzyme loadings. The boundary conditions for refining energy (128-468 kWh/ODMT), cellulase (Novozyme's CTec3) loading (11.6-28.4 mg total protein/g of cellulose), and hemicellulase (Novozyme's HTec3) loading (0-5 mg total protein/g of cellulose) were chosen to cover the most commercially practical operating conditions. The sugar and ethanol yields were modeled with good adequacy, showing a positive linear correlation between those yields and refining energy and enzyme loadings. The ethanol yields ranged from 77 to 89 gallons/ODMT of corn stover. The minimum sugar selling price (MSSP) ranged from $0.191 to $0.212 per lb of 50 % concentrated monomeric sugars, while the minimum ethanol selling price (MESP) ranged from $2.24 to $2.54 per gallon of ethanol. The DDR process concept is evaluated for economic feasibility through TEA. The MSSP and MESP of the DDR process falls within a range similar to that found with the deacetylation/dilute acid pretreatment process modeled in NREL's 2011 design report. The DDR process is

  12. Glycidyl fatty acid esters in refined edible oils: A review on formation, occurrence, analysis, and elimination methods

    Science.gov (United States)

    Glycidyl fatty acid esters (GEs), one of the main contaminants in processed oil, are mainly formed during the deodorization step in the oil refining process of edible oils and therefore occur in almost all refined edible oils. GEs are potential carcinogens, due to the fact that they hydrolyze into t...

  13. Refining and end use study of coal liquids II - linear programming analysis

    Energy Technology Data Exchange (ETDEWEB)

    Lowe, C.; Tam, S.

    1995-12-31

    A DOE-funded study is underway to determine the optimum refinery processing schemes for producing transportation fuels that will meet CAAA regulations from direct and indirect coal liquids. The study consists of three major parts: pilot plant testing of critical upgrading processes, linear programming analysis of different processing schemes, and engine emission testing of final products. Currently, fractions of a direct coal liquid produced form bituminous coal are being tested in sequence of pilot plant upgrading processes. This work is discussed in a separate paper. The linear programming model, which is the subject of this paper, has been completed for the petroleum refinery and is being modified to handle coal liquids based on the pilot plant test results. Preliminary coal liquid evaluation studies indicate that, if a refinery expansion scenario is adopted, then the marginal value of the coal liquid (over the base petroleum crude) is $3-4/bbl.

  14. Thermodynamic Analysis for the Refining Ability of Salt Flux for Aluminum Recycling

    Directory of Open Access Journals (Sweden)

    Takehito Hiraki

    2014-07-01

    Full Text Available The removability of impurities during the aluminum remelting process by oxidation was previously investigated by our research group. In the present work, alternative impurity removal with chlorination has been evaluated by thermodynamic analysis. For 43 different elements, equilibrium distribution ratios among metal, chloride flux and oxide slag phases in the aluminum remelting process were calculated by assuming the binary systems of aluminum and an impurity element. It was found that the removability of impurities isn’t significantly affected by process parameters such as chloride partial pressure, temperature and flux composition. It was shown that Ho, Dy, Li, La, Mg, Gd, Ce, Yb, Ca and Sr can be potentially eliminated into flux by chlorination from the remelted aluminum. Chlorination and oxidation are not effective to remove other impurities from the melting aluminum, due to the limited parameters which can be controlled during the remelting process. It follows that a proper management of aluminum scrap such as sorting based on the composition of the products is important for sustainable aluminum recycling.

  15. IEEE 802.11 Wireless LANs: Performance Analysis and Protocol Refinement

    Directory of Open Access Journals (Sweden)

    Chatzimisios P.

    2005-01-01

    Full Text Available The IEEE 802.11 protocol is emerging as a widely used standard and has become the most mature technology for wireless local area networks (WLANs. In this paper, we focus on the tuning of the IEEE 802.11 protocol parameters taking into consideration, in addition to throughput efficiency, performance metrics such as the average packet delay, the probability of a packet being discarded when it reaches the maximum retransmission limit, the average time to drop a packet, and the packet interarrival time. We present an analysis, which has been validated by simulation that is based on a Markov chain model commonly used in the literature. We further study the improvement on these performance metrics by employing suitable protocol parameters according to the specific communication needs of the IEEE 802.11 protocol for both basic access and RTS/CTS access schemes. We show that the use of a higher initial contention window size does not considerably degrade performance in small networks and performs significantly better in any other scenario. Moreover, we conclude that the combination of a lower maximum contention window size and a higher retry limit considerably improves performance. Results indicate that the appropriate adjustment of the protocol parameters enhances performance and improves the services that the IEEE 802.11 protocol provides to various communication applications.

  16. Computer aided analysis of prostate histopathology images to support a refined Gleason grading system

    Science.gov (United States)

    Ren, Jian; Sadimin, Evita; Foran, David J.; Qi, Xin

    2017-02-01

    The Gleason grading system used to render prostate cancer diagnosis has recently been updated to allow more accurate grade stratification and higher prognostic discrimination when compared to the traditional grading system. In spite of progress made in trying to standardize the grading process, there still remains approximately a 30% grading discrepancy between the score rendered by general pathologists and those provided by experts while reviewing needle biopsies for Gleason pattern 3 and 4, which accounts for more than 70% of daily prostate tis- sue slides at most institutions. We propose a new computational imaging method for Gleason pattern 3 and 4 classification, which better matches the newly established prostate cancer grading system. The computer- aided analysis method includes two phases. First, the boundary of each glandular region is automatically segmented using a deep convolutional neural network. Second, color, shape and texture features are extracted from superpixels corresponding to the outer and inner glandular regions and are subsequently forwarded to a random forest classifier to give a gradient score between 3 and 4 for each delineated glandular region. The F1 score for glandular segmentation is 0.8460 and the classification accuracy is 0.83+/-0.03.

  17. Refinement of the NHS locus on chromosome Xp22.13 and analysis of five candidate genes.

    Science.gov (United States)

    Toutain, Annick; Dessay, Benoît; Ronce, Nathalie; Ferrante, Maria-Immacolata; Tranchemontagne, Julie; Newbury-Ecob, Ruth; Wallgren-Pettersson, Carina; Burn, John; Kaplan, Josseline; Rossi, Annick; Russo, Silvia; Walpole, Ian; Hartsfield, James K; Oyen, Nina; Nemeth, Andrea; Bitoun, Pierre; Trump, Dorothy; Moraine, Claude; Franco, Brunella

    2002-09-01

    Nance-Horan syndrome (NHS) is an X-linked condition characterised by congenital cataracts, dental abnormalities, dysmorphic features, and mental retardation in some cases. Previous studies have mapped the disease gene to a 2 cM interval on Xp22.2 between DXS43 and DXS999. We report additional linkage data resulting from the analysis of eleven independent NHS families. A maximum lod score of 9.94 (theta=0.00) was obtained at the RS1 locus and a recombination with locus DXS1195 on the telomeric side was observed in two families, thus refining the location of the gene to an interval of around 1 Mb on Xp22.13. Direct sequencing or SSCP analysis of the coding exons of five genes (SCML1, SCML2, STK9, RS1 and PPEF1), considered as candidate genes on the basis of their location in the critical interval, failed to detect any mutation in 12 unrelated NHS patients, thus making it highly unlikely that these genes are implicated in NHS.

  18. Mapping of Themes Pertaining to Operations Management: a Refined Analysis Based on the Perceptions of Researchers, Lecturers and Practitioners

    Directory of Open Access Journals (Sweden)

    Jurandir Peinado

    2016-01-01

    Full Text Available An article published at Revista de Gestão (REGE, an academic journal by the University of Sao Paulo, in 2013, proposed the mapping of Operations Management themes based on the editorial space provided in major journals and conf erence proceedings in the area. Based on such proposal, the current study conducted a survey to capture the importance assigned to those themes by researchers, lecturers and practitioners and how they categorized the themes into broader groupings. A factor analysis was performed with the data collected by means of the survey and several statistical tests were also carried out in order to assess the strength of the constructs and to confirm the dimensions proposed in the referred mapping of Operations Manage ment themes, allowing for its refinement. The factor analysis resulted in nine factors, seven of which very closely resemble the constructs presented in the previous paper. Thus, the results obtained herein confirm most of the previously obtained mapping, providing a further step in the discussion of the themes that are relevant to the area of Operations Management

  19. Haplotype analysis and a novel allele-sharing method refines a chromosome 4p locus linked to bipolar affective disorder.

    Science.gov (United States)

    Le Hellard, Stephanie; Lee, Andrew J; Underwood, Sarah; Thomson, Pippa A; Morris, Stewart W; Torrance, Helen S; Anderson, Susan M; Adams, Richard R; Navarro, Pau; Christoforou, Andrea; Houlihan, Lorna M; Detera-Wadleigh, Sevilla; Owen, Michael J; Asherson, Philip; Muir, Walter J; Blackwood, Douglas H R; Wray, Naomi R; Porteous, David J; Evans, Kathryn L

    2007-03-15

    Bipolar affective disorder (BPAD) and schizophrenia (SCZ) are common conditions. Their causes are unknown, but they include a substantial genetic component. Previously, we described significant linkage of BPAD to a chromosome 4p locus within a large pedigree (F22). Others subsequently have found evidence for linkage of BPAD and SCZ to this region. We constructed high-resolution haplotypes for four linked families, calculated logarithm of the odds (LOD) scores, and developed a novel method to assess the extent of allele sharing within genes between the families. We describe an increase in the F22 LOD score for this region. Definition and comparison of the linked haplotypes allowed us to prioritize two subregions of 3.8 and 4.4 Mb. Analysis of the extent of allele sharing within these subregions identified 200 kb that shows increased allele sharing between families. Linkage of BPAD to chromosome 4p has been strengthened. Haplotype analysis in the additional linked families refined the 20-Mb linkage region. Development of a novel allele-sharing method allowed us to bridge the gap between conventional linkage and association studies. Description of a 200-kb region of increased allele sharing prioritizes this region, which contains two functional candidate genes for BPAD, SLC2A9, and WDR1, for subsequent studies.

  20. Automated Image Analysis of HER2 Fluorescence In Situ Hybridization to Refine Definitions of Genetic Heterogeneity in Breast Cancer Tissue.

    Science.gov (United States)

    Radziuviene, Gedmante; Rasmusson, Allan; Augulis, Renaldas; Lesciute-Krilaviciene, Daiva; Laurinaviciene, Aida; Clim, Eduard; Laurinavicius, Arvydas

    2017-01-01

    Human epidermal growth factor receptor 2 gene- (HER2-) targeted therapy for breast cancer relies primarily on HER2 overexpression established by immunohistochemistry (IHC) with borderline cases being further tested for amplification by fluorescence in situ hybridization (FISH). Manual interpretation of HER2 FISH is based on a limited number of cells and rather complex definitions of equivocal, polysomic, and genetically heterogeneous (GH) cases. Image analysis (IA) can extract high-capacity data and potentially improve HER2 testing in borderline cases. We investigated statistically derived indicators of HER2 heterogeneity in HER2 FISH data obtained by automated IA of 50 IHC borderline (2+) cases of invasive ductal breast carcinoma. Overall, IA significantly underestimated the conventional HER2, CEP17 counts, and HER2/CEP17 ratio; however, it collected more amplified cells in some cases below the lower limit of GH definition by manual procedure. Indicators for amplification, polysomy, and bimodality were extracted by factor analysis and allowed clustering of the tumors into amplified, nonamplified, and equivocal/polysomy categories. The bimodality indicator provided independent cell diversity characteristics for all clusters. Tumors classified as bimodal only partially coincided with the conventional GH heterogeneity category. We conclude that automated high-capacity nonselective tumor cell assay can generate evidence-based HER2 intratumor heterogeneity indicators to refine GH definitions.

  1. Quantitative determination of phases in ZrO{sub 2} (MgO) (Y{sub 2}O{sub 3}) using the Rietveld method; Determinacao quantitativa de fases em ZrO{sub 2} - MgO - Y{sub 2}O{sub 3} utilizando o metodo de Rietveld

    Energy Technology Data Exchange (ETDEWEB)

    Castro, Antonio Carlos de

    2007-07-01

    The key objective of this work is the crystallographic characterization of the zircon co-doped with Yttria and magnesium with the application of the Rietveld method for quantitative phase analysis of zircon polymorph (zircon monoclinic, tetragonal, and cubic). Samples of zircon polymorph were obtained from zircon doped with Yttria and magnesium at defined molar concentrations. The zircon polymorph stability during subeutetoid aging at 1350 deg C were investigated to determine ZrO{sub 2} - MgO - Y{sub 2}0{sub 3} phases degradation and to define the solid solutions stability environment. ZrO{sub 2} powders doped with 8 mol por cent of MgO and 1 mol por cent of Y{sub 2}O{sub 3}, and 9 mol por cent of MgO and 0 mol por cent of Y{sub 2}O{sub 3} have been prepared by chemical route using the co-precipitation method. These samples have been calcinate at 550 deg C, sintered at 1500 deg C and characterized by the Rietveld method using the X-ray diffraction data. The variation of the lattice parameter, changes in the phase composition and their microstructures are discussed. The application of the Rietveld method for quantitative phase analysis of zircon polymorph (zircon tetragonal and cubic) reveals no formation of tetragonal phase and indicating that the matrix is the cubic phase with low concentration of monoclinic phase.(author)

  2. Petroleum product refining: plant level analysis of costs and competitiveness. Implications of greenhouse gas emission reductions. Vol 1

    International Nuclear Information System (INIS)

    Kelly, S.J.; Crandall, G.R.; Houlton, G.A.; Kromm, R.B.

    1999-01-01

    Implications on the Canadian refining industry of reducing greenhouse gas (GHG) emissions to meet Canada's Kyoto commitment are assessed, based on a plant-level analysis of costs, benefits and economic and competitive impacts. It was determined on the basis of demand estimates prepared by Natural Resources Canada that refining industry carbon dioxide emissions could be as much a 38 per cent higher than 1990 levels in 2010. Achieving a six per cent reduction below 1990 levels from this business-as-usual case is considered a very difficult target to achieve, unless refinery shutdowns occur. This would require higher imports to meet Canada's petroleum products demand, leaving total carbon dioxide emissions virtually unchanged. A range of options, classified as (1) low capital, operating efficiency projects, (2) medium capital, process/utility optimization projects, (3) high capital, refinery specific projects, and (4) high operating cost GHG projects, were evaluated. Of these four alternatives, the low capital or operating efficiency projects were the only ones judged to have the potential to be economically viable. Energy efficiency projects in these four groups were evaluated under several policy initiatives including accelerated depreciation and a $200 per tonne of carbon tax. Result showed that an accelerated depreciation policy would lower the hurdle rate for refinery investments, and could achieve a four per cent reduction in GHG emissions below 1990 levels, assuming no further shutdown of refinery capacity. The carbon tax was judged to be potentially damaging to the Canadian refinery industry since it would penalize cracking refineries (most Canadian refineries are of this type); it would provide further uncertainty and risk, such that industry might not be able to justify investments to reduce emissions. The overall assessment is that the Canadian refinery industry could not meet the pro-rata Kyoto GHG reduction target through implementation of economically

  3. Quantitative determination of the crystalline phases of the ceramic materials utilizing the Rietveld method

    International Nuclear Information System (INIS)

    Kniess, C.T.; Prates, P.B.; Lima, J.C. de; Kuhnen, N.C.; Riella, H.G.; Maliska, A.M.

    2009-01-01

    Ceramic materials have properties defined by their chemical and micro-structural composition. The quantification of the crystalline phases is a fundamental stage in the determination of the structure, properties and applications of a ceramic material. Within this context, this study aims is the quantitative determination of the crystalline phases of the ceramic materials developed with addition of mineral coal bottom ash, utilizing the X ray diffraction technique, through the method proposed by Rietveld. For the formulation of the ceramic mixtures a {3,3} simplex-lattice design was used, giving ten formulations of three components (two different types of clays and coal bottom ash). The crystalline phases identified in the ceramic materials after sintering at 1150 deg C during two hours are: quartz, tridimite, mullite and hematite. The proposed methodology utilizing the Rietveld method for the quantification relating to crystalline phases of the materials was shown to be adequate and efficient. (author)

  4. Improved vertical displacements induced by a refined thermal expansion model and its quantitative analysis in GPS height time series

    Science.gov (United States)

    Wang, Kaihua; Chen, Hua; Jiang, Weiping; Li, Zhao; Ma, Yifang; Deng, Liansheng

    2018-04-01

    There are apparent seasonal variations in GPS height time series, and thermal expansion is considered to be one of the potential geophysical contributors. The displacements introduced by thermal expansion are usually derived without considering the annex height and underground part of the monument (e.g. located on roof or top of the buildings), which may bias the geophysical explanation of the seasonal oscillation. In this paper, the improved vertical displacements are derived by a refined thermal expansion model where the annex height and underground depth of the monument are taken into account, and then 560 IGS stations are adopted to validate the modeled thermal expansion (MTE) displacements. In order to evaluate the impact of thermal expansion on GPS heights, the MTE displacements of 80 IGS stations with less data discontinuities are selected to compare with their observed GPS vertical (OGV) displacements with the modeled surface loading (MSL) displacements removed in advance. Quantitative analysis results show the maximum annual and semiannual amplitudes of the MTE are 6.65 mm (NOVJ) and 0.51 mm (IISC), respectively, and the maximum peak-to-peak oscillation of the MTE displacements can be 19.4 mm. The average annual amplitude reductions are 0.75 mm and 1.05 mm respectively after removing the MTE and MSL displacements from the OGV, indicating the seasonal oscillation induced by thermal expansion is equivalent to >75% of the impact of surface loadings. However, there are rarely significant reductions for the semiannual amplitude. Given the result in this study that thermal expansion can explain 17.3% of the annual amplitude in GPS heights on average, it must be precisely modeled both in GPS precise data processing and GPS time series analysis, especially for those stations located in the middle and high latitudes with larger annual temperature oscillation, or stations with higher monument.

  5. Refining the role of PMS2 in Lynch syndrome: germline mutational analysis improved by comprehensive assessment of variants.

    Science.gov (United States)

    Borràs, Ester; Pineda, Marta; Cadiñanos, Juan; Del Valle, Jesús; Brieger, Angela; Hinrichsen, Inga; Cabanillas, Ruben; Navarro, Matilde; Brunet, Joan; Sanjuan, Xavier; Musulen, Eva; van der Klift, Helen; Lázaro, Conxi; Plotz, Guido; Blanco, Ignacio; Capellá, Gabriel

    2013-08-01

    The majority of mismatch repair (MMR) gene mutations causing Lynch syndrome (LS) occur either in MLH1 or MSH2. However, the relative contribution of PMS2 is less well defined. The aim of this study was to evaluate the role of PMS2 in LS by assessing the pathogenicity of variants of unknown significance (VUS) detected in the mutational analysis of PMS2 in a series of Spanish patients. From a cohort of 202 LS suspected patients, 13 patients showing loss of PMS2 expression in tumours were screened for germline mutations in PMS2, using a long range PCR based strategy and multiplex ligation dependent probe amplification (MLPA). Pathogenicity assessment of PMS2 VUS was performed evaluating clinicopathological data, frequency in control population and in silico and in vitro analyses at the RNA and protein level. Overall 25 different PMS2 DNA variants were detected. Fourteen were classified as polymorphisms. Nine variants were classified as pathogenic: seven alterations based on their molecular nature and two after demonstrating a functional defect (c.538-3C>G affected mRNA processing and c.137G>T impaired MMR activity). The c.1569C>G variant was classified as likely neutral while the c.384G>A remained as a VUS. We have also shown that the polymorphic variant c.59G>A is MMR proficient. Pathogenic PMS2 mutations were detected in 69% of patients harbouring LS associated tumours with loss of PMS2 expression. In all, PMS2 mutations account for 6% of the LS cases identified. The comprehensive functional analysis shown here has been useful in the classification of PMS2 VUS and contributes to refining the role of PMS2 in LS.

  6. Dos artículos de Rietveld Comprensión. Nuevo Funcionalismo en la Arquitectura

    Directory of Open Access Journals (Sweden)

    Editor Cuaderno de Notas

    1995-12-01

    Full Text Available Los siguientes dos artículos de Rietveld (1888-1964 fueron publicados por primera vez en la revista i10 en 1928 y en De Vrije Bladen en 1932 respectivamente. Esta es su primera traducción al castellano, para lo que se ha partido de sus correspondientes traducciones inglesas; "Inzicht" (comprensión, en el libro de Theodore M.. Brown, The Work of G. Rietveld architect, Utrecht 1958, y "Nieuwe zakelijkheid in de Nederlandsche architectuur" (Nueva objetividad en la arquitectura holandesa, en la monografía-catálogo, Gerrit Rietveld 1888-1964. The complet works, Central Museum, Utrecht, 1992. En cuanto al último, de bastante mayor extensión, contaba originariamente con ilustraciones de obras de JA.Brinkman y L.C. van der Vlugt, A. Bodón, J. Duiker, J.J.P. Oud y Le Corbusier como único arquitecto extranjero representado, aparte de las de sus propio trabajo.

  7. Steel refining possibilities in LF

    Science.gov (United States)

    Dumitru, M. G.; Ioana, A.; Constantin, N.; Ciobanu, F.; Pollifroni, M.

    2018-01-01

    This article presents the main possibilities for steel refining in Ladle Furnace (LF). These, are presented: steelmaking stages, steel refining through argon bottom stirring, online control of the bottom stirring, bottom stirring diagram during LF treatment of a heat, porous plug influence over the argon stirring, bottom stirring porous plug, analysis of porous plugs disposal on ladle bottom surface, bottom stirring simulation with ANSYS, bottom stirring simulation with Autodesk CFD.

  8. Analysis of a HP-refinement method for solving the neutron transport equation using two error estimators

    International Nuclear Information System (INIS)

    Fournier, D.; Le Tellier, R.; Suteau, C.; Herbin, R.

    2011-01-01

    The solution of the time-independent neutron transport equation in a deterministic way invariably consists in the successive discretization of the three variables: energy, angle and space. In the SNATCH solver used in this study, the energy and the angle are respectively discretized with a multigroup approach and the discrete ordinate method. A set of spatial coupled transport equations is obtained and solved using the Discontinuous Galerkin Finite Element Method (DGFEM). Within this method, the spatial domain is decomposed into elements and the solution is approximated by a hierarchical polynomial basis in each one. This approach is time and memory consuming when the mesh becomes fine or the basis order high. To improve the computational time and the memory footprint, adaptive algorithms are proposed. These algorithms are based on an error estimation in each cell. If the error is important in a given region, the mesh has to be refined (h−refinement) or the polynomial basis order increased (p−refinement). This paper is related to the choice between the two types of refinement. Two ways to estimate the error are compared on different benchmarks. Analyzing the differences, a hp−refinement method is proposed and tested. (author)

  9. Structural refinement, photoluminescence and Raman spectroscopy of wurtzite Mn-doped Zn O pellets

    Energy Technology Data Exchange (ETDEWEB)

    Marquina, J.; Martin, J.; Luengo, J.; Vera, F.; Roa, L. [Centro de Estudios Avanzados en Optica, Universidad de los Andes, Merida 5101 (Venezuela, Bolivarian Republic of); Gonzalez, J. [Centro de Estudios de Semiconductores, Universidad de los Andes, Merida 5101 (Venezuela, Bolivarian Republic of); Rodriguez, F.; Renero L, C.; Valiente, R. [Malta-Consolider Team, CITIMAC, Facultad de Ciencias, Universidad de Cantabria, Santander 69005 (Spain); Delgado, G. E., E-mail: marquinajesus@gmail.com [Laboratorio de Cristalografia, Facultad de Ciencias, Universidad de los Andes, Merida 5101 (Venezuela, Bolivarian Republic of)

    2017-11-01

    We report the results of the Rietveld refinement, photoluminescence and Raman spectroscopy of Mn-doped Zn O ceramic pellets. Rietveld refinement shows that samples crystallize in the wurtzite structure and for the Mn-doped sample indicated that the Mn atoms substitute the Zn tetrahedral crystallographic sites in the Zn O host lattice. The emission and absorption spectra of Mn-doped Zn O have been investigated in the visible-UV region and the data have been interpreted in terms of the wurtzite Zn O electronic structure. Two broad bands, one due to superposition between donor bound excitons (DX) and free excitons (FX) and other due free-to bond excitonic recombination (FB) dominates the low-temperature photoluminescence spectra of Mn-doped Zn O bulk. In the Raman spectrum, an extra mode at ∼520 cm{sup -1} has been observed in agreement with earlier works, and it is an indicator for the incorporation of Mn{sup +2} ions into the Zn O host matrix since it is not is observed in Zn O pristine. Rietveld refinement of the X-ray diffraction patterns, energy-dispersive X-ray spectroscopy (EDS) technique, and Raman spectroscopies were performed to study these effects. (Author)

  10. The Analysis of the Chloride and Fluoride Influences on the Reducer Refinement Processes (Carbo-N-Ox Aluminum Alloys

    Directory of Open Access Journals (Sweden)

    Bydałek A. W.

    2013-09-01

    Full Text Available Slag refining slag with west materials was analysed used the DTA methods. In the paper a method of determining the reduction capability, with the Carbo-N-Ox method, of slag solutions was used. Some relations between the stimulators in the environment - slag - metal system allow to initiate mass exchange reactions in the process of slag refining.The presented in work course of behaviour permits on choice of basic composition of slaglite, the of necessary components stimulating quantities, as well as on accomplishment of opinion of ability refinement. The worked out programme Slag-Prop, after introduction of data with experiment, it allows on next corrections in composition of proposed mixtures also, should be put on properly elaborated factors of multistage reaction with essential usage of suitable stimulators.

  11. Refinements of On-The-Fly Doppler Broadening via Gauss-Hermite Quadrature in Monte Carlo Reactor Analysis

    International Nuclear Information System (INIS)

    Jo, YuGwon; Cho, Nam Zin

    2017-01-01

    In this paper, the GHQ algorithm is refined in two aspects. One is that the Doppler broadened cross section in the low energy range is estimated by the two variations of GHQ (GHQ1 and GHQ2) and the two-point GLQ for both accuracy and computational efficiency. The other is a refined cross-section table lookup procedure for GHQ to reduce computing times. For the low energy range (y < 4), the effective cross section is estimated by the GHQ2 algorithm to improve both accuracy and computational efficiency. To further reduce the computing times for Doppler broadening, a procedure of cross-section table lookups for the GHQ algorithm is also refined. From the numerical results, we have shown that the GHQ2 algorithm removes oscillatory errors in the low energy range, which appear in the GHQ1 algorithm, while the computing time of the GHQ2 algorithm is much faster than that of the two-point GLQ algorithm. In conclusion, the “GHQ2/GHQ” algorithm (GHQ2 for y < 4 and GHQ for y ≥4) with the refined cross-section table lookup procedure can be an efficient and accurate OTF Doppler broadening algorithm for MC simulations, when the cross section data is piecewise linearly tabulated.

  12. On the refinement calculus

    CERN Document Server

    Vickers, Trevor

    1992-01-01

    On the Refinement Calculus gives one view of the development of the refinement calculus and its attempt to bring together - among other things - Z specifications and Dijkstra's programming language. It is an excellent source of reference material for all those seeking the background and mathematical underpinnings of the refinement calculus.

  13. Whole grain and refined grain consumption and the risk of type 2 diabetes: a systematic review and dose-response meta-analysis of cohort studies.

    Science.gov (United States)

    Aune, Dagfinn; Norat, Teresa; Romundstad, Pål; Vatten, Lars J

    2013-11-01

    Several studies have suggested a protective effect of intake of whole grains, but not refined grains on type 2 diabetes risk, but the dose-response relationship between different types of grains and type 2 diabetes has not been established. We conducted a systematic review and meta-analysis of prospective studies of grain intake and type 2 diabetes. We searched the PubMed database for studies of grain intake and risk of type 2 diabetes, up to June 5th, 2013. Summary relative risks were calculated using a random effects model. Sixteen cohort studies were included in the analyses. The summary relative risk per 3 servings per day was 0.68 (95% CI 0.58-0.81, I(2) = 82%, n = 10) for whole grains and 0.95 (95% CI 0.88-1.04, I(2) = 53%, n = 6) for refined grains. A nonlinear association was observed for whole grains, p nonlinearity cereals, wheat bran and brown rice, but these results were based on few studies, while white rice was associated with increased risk. Our meta-analysis suggests that a high whole grain intake, but not refined grains, is associated with reduced type 2 diabetes risk. However, a positive association with intake of white rice and inverse associations between several specific types of whole grains and type 2 diabetes warrant further investigations. Our results support public health recommendations to replace refined grains with whole grains and suggest that at least two servings of whole grains per day should be consumed to reduce type 2 diabetes risk.

  14. Analysis and interpretation of diffraction data from complex, anisotropic materials

    Science.gov (United States)

    Tutuncu, Goknur

    Most materials are elastically anisotropic and exhibit additional anisotropy beyond elastic deformation. For instance, in ferroelectric materials the main inelastic deformation mode is via domains, which are highly anisotropic crystallographic features. To quantify this anisotropy of ferroelectrics, advanced X-ray and neutron diffraction methods were employed. Extensive sets of data were collected from tetragonal BaTiO3, PZT and other ferroelectric ceramics. Data analysis was challenging due to the complex constitutive behavior of these materials. To quantify the elastic strain and texture evolution in ferroelectrics under loading, a number of data analysis techniques such as the single peak and Rietveld methods were used and their advantages and disadvantages compared. It was observed that the single peak analysis fails at low peak intensities especially after domain switching while the Rietveld method does not account for lattice strain anisotropy although it overcomes the low intensity problem via whole pattern analysis. To better account for strain anisotropy the constant stress (Reuss) approximation was employed within the Rietveld method and new formulations to estimate lattice strain were proposed. Along the way, new approaches for handling highly anisotropic lattice strain data were also developed and applied. All of the ceramics studied exhibited significant changes in their crystallographic texture after loading indicating non-180° domain switching. For a full interpretation of domain switching the spherical harmonics method was employed in Rietveld. A procedure for simultaneous refinement of multiple data sets was established for a complete texture analysis. To further interpret diffraction data, a solid mechanics model based on the self-consistent approach was used in calculating lattice strain and texture evolution during the loading of a polycrystalline ferroelectric. The model estimates both the macroscopic average response of a specimen and its hkl

  15. Study of crystallite size of yttria-stabilized zirconia powders by Rietveld method

    International Nuclear Information System (INIS)

    Leite, Wellington Claiton; Brinatti, Andre Mauricio; Ribeiro, Mauricio Aparecido; Andrade, Andre Vitor Chaves de; Chinelatto, Adriana Scoton Antonio; Chinelatto, Adilson Luiz

    2009-01-01

    The yttria-stabilized zirconia (YSZ) is used in a great variety of applications, for example, electrolytes of solid oxide fuel cells and oxygen sensors. In the study of YSZ, the particle size powders and sintering processes are important to define the final properties of the zirconia products. The objectives of this work were to determine the phases and the crystalline size using X-Ray Diffraction (XRD) data and the Rietveld Method (RM) of the YSZ powders obtained by chemical synthesis based on the Pechini method. It was used ZrOCl 2.8 H 2 O and Y(NO 3 ) 3.5 H 2 O as precursors reagents. After calcination at 550 deg C during 24 hours, the powder was analyzed by XRD and scanning electronic microscopy (SEM). From XRD and using Rietveld method were verified that there is only cubic phase with lattice parameter a = 5.1307(1) Å and the space group Fm3m. Due to substitution of the Zr atoms in the Y atoms sites, there were vacancies in 17.72 % of O atoms sites. However, the percentage of substitution of Zr atoms in Y atoms sites in the structure not was determinate because the curves of atomic scattering of them are very similar. Using Scherrer equation and considering anisotropy effect, the average crystalline size was determinate: 10,43 nm (c axis) and 10,39 (b axis). This spherical symmetry also observed for SEM. (author)

  16. Study the oxidation kinetics of uranium using XRD and Rietveld method

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Yanzhi; Guan Weijun; Wang Qinguo; Wang Xiaolin; Lai Xinchun; Shuai Maobing, E-mail: yanzhizh@163.com [China Academy of Engineering Physics, PO Box 919-71, Mianyang, Sichuan, 621900 (China)

    2010-03-15

    The surface oxidation of uranium metal has been studied by X-ray diffraction (XRD) and Rietveld method in the range of 50{approx}300deg. C in air. The oxidation processes are analyzed by XRD to determine the extent of surface oxidation and the oxide structure. The dynamics expression for the formation of UO{sub 2} was derived. At the beginning, the dynamic expression was nonlinear, but switched to linear subsequently for uranium in air and humid oxygen. That is, the growth kinetics of UO{sub 2} can be divided into two stages: nonlinear portion and linear portion. Using the kinetic data of linear portion, the activation energy of reaction between uranium and air was calculated about 46.0 kJ/mol. However the content of oxide as a function of time was linear in humid helium ambience. Contrast the dynamics results, it prove that the absence of oxygen would accelerate the corrosion rate of uranium in the humid gas. We can find that the XRD and Rietveld method are a useful convenient method to estimate the kinetics and thermodynamics of solid-gas reaction.

  17. Study the oxidation kinetics of uranium using XRD and Rietveld method

    Science.gov (United States)

    Zhang, Yanzhi; Guan, Weijun; Wang, Qinguo; Wang, Xiaolin; Lai, Xinchun; Shuai, Maobing

    2010-03-01

    The surface oxidation of uranium metal has been studied by X-ray diffraction (XRD) and Rietveld method in the range of 50~300°C in air. The oxidation processes are analyzed by XRD to determine the extent of surface oxidation and the oxide structure. The dynamics expression for the formation of UO2 was derived. At the beginning, the dynamic expression was nonlinear, but switched to linear subsequently for uranium in air and humid oxygen. That is, the growth kinetics of UO2 can be divided into two stages: nonlinear portion and linear portion. Using the kinetic data of linear portion, the activation energy of reaction between uranium and air was calculated about 46.0 kJ/mol. However the content of oxide as a function of time was linear in humid helium ambience. Contrast the dynamics results, it prove that the absence of oxygen would accelerate the corrosion rate of uranium in the humid gas. We can find that the XRD and Rietveld method are a useful convenient method to estimate the kinetics and thermodynamics of solid-gas reaction.

  18. Emission and Performance Analysis of ZrO2 And CeO2 Coated Piston Using Refined Vegetable Oils

    Science.gov (United States)

    Hemanandh, J.; Narayanan, K. V.; Manoj, Vemuri

    2017-05-01

    Increase in global warming and pollution leads to look for an alternative fuel. The aim of this paper to improve the performance and to reduce the emissions in DI diesel engine. The 80% of ZrO2 and 20% of CeO2 were mixed and coated on the piston head using plasma spray method. The B10 fuel of various refined vegetable oil methyl esters were used as fuel. The test was conducted in the 4-stroke DI diesel engine at a constant speed of 1500 rpm. The results show that the brake thermal efficiency, NOx and BSFC was increased. The CO and HC were decreased.

  19. The use of the Rietveld method as an evaluation tool in the stages of production of nanostructured hard metal

    International Nuclear Information System (INIS)

    Batista, A.C.; Perpetuo, G.J.; Oliveira, H.C.P. de; Silva, T.R.G. da

    2014-01-01

    The processing of the composite WC-10% Co, with nanometric grain size was analyzed aiming at identifying changes undergone by the material during mixing and compaction steps. Use the X-ray diffraction and the Rietveld method to obtain accurate data on the behavior of powders before these steps. This paper describes the use of the Rietveld method as an evaluation tool to obtain information about the behavior of powders of WC and Co steps during mixing and compaction prior to sintering of the composite. (author)

  20. Relational Demonic Fuzzy Refinement

    Directory of Open Access Journals (Sweden)

    Fairouz Tchier

    2014-01-01

    Full Text Available We use relational algebra to define a refinement fuzzy order called demonic fuzzy refinement and also the associated fuzzy operators which are fuzzy demonic join (⊔fuz, fuzzy demonic meet (⊓fuz, and fuzzy demonic composition (□fuz. Our definitions and properties are illustrated by some examples using mathematica software (fuzzy logic.

  1. North American refining

    International Nuclear Information System (INIS)

    Osten, James; Haltmaier, Susan

    2000-01-01

    This article examines the current status of the North American refining industry, and considers the North American economy and the growth in demand in the petroleum industry, petroleum product demand and quality, crude oil upgrading to meet product standards, and changes in crude oil feedstocks such as the use of heavier crudes and bitumens. Refining expansion, the declining profits in refining, and changes due to environmental standards are discussed. The Gross Domestic Product and oil demand for the USA, Canada, Mexico, and Venezuela for the years 1995-2020 are tabulated

  2. Improved analysis of C4 and C3 photosynthesis via refined in vitro assays of their carbon fixation biochemistry

    Science.gov (United States)

    Sharwood, Robert E.; Sonawane, Balasaheb V.; Ghannoum, Oula; Whitney, Spencer M.

    2016-01-01

    Plants operating C3 and C4 photosynthetic pathways exhibit differences in leaf anatomy and photosynthetic carbon fixation biochemistry. Fully understanding this underpinning biochemical variation is requisite to identifying solutions for improving photosynthetic efficiency and growth. Here we refine assay methods for accurately measuring the carboxylase and decarboxylase activities in C3 and C4 plant soluble protein. We show that differences in plant extract preparation and assay conditions are required to measure NADP-malic enzyme and phosphoenolpyruvate carboxylase (pH 8, Mg2+, 22 °C) and phosphoenolpyruvate carboxykinase (pH 7, >2mM Mn2+, no Mg2+) maximal activities accurately. We validate how the omission of MgCl2 during leaf protein extraction, lengthy (>1min) centrifugation times, and the use of non-pure ribulose-1,5-bisphosphate (RuBP) significantly underestimate Rubisco activation status. We show how Rubisco activation status varies with leaf ontogeny and is generally lower in mature C4 monocot leaves (45–60% activation) relative to C3 monocots (55–90% activation). Consistent with their >3-fold lower Rubisco contents, full Rubisco activation in soluble protein from C4 leaves (<5min) was faster than in C3 plant samples (<10min), with addition of Rubisco activase not required for full activation. We conclude that Rubisco inactivation in illuminated leaves primarily stems from RuBP binding to non-carbamylated enzyme, a state readily reversible by dilution during cellular protein extraction. PMID:27122573

  3. Linearly Refined Session Types

    Directory of Open Access Journals (Sweden)

    Pedro Baltazar

    2012-11-01

    Full Text Available Session types capture precise protocol structure in concurrent programming, but do not specify properties of the exchanged values beyond their basic type. Refinement types are a form of dependent types that can address this limitation, combining types with logical formulae that may refer to program values and can constrain types using arbitrary predicates. We present a pi calculus with assume and assert operations, typed using a session discipline that incorporates refinement formulae written in a fragment of Multiplicative Linear Logic. Our original combination of session and refinement types, together with the well established benefits of linearity, allows very fine-grained specifications of communication protocols in which refinement formulae are treated as logical resources rather than persistent truths.

  4. Refinement by interface instantiation

    DEFF Research Database (Denmark)

    Hallerstede, Stefan; Hoang, Thai Son

    2012-01-01

    be easily refined. Our first contribution hence is a proposal for a new construct called interface that encapsulates the external variables, along with a mechanism for interface instantiation. Using the new construct and mechanism, external variables can be refined consistently. Our second contribution...... is an approach for verifying the correctness of Event-B extensions using the supporting Rodin tool. We illustrate our approach by proving the correctness of interface instantiation....

  5. Relational Demonic Fuzzy Refinement

    OpenAIRE

    Tchier, Fairouz

    2014-01-01

    We use relational algebra to define a refinement fuzzy order called demonic fuzzy refinement and also the associated fuzzy operators which are fuzzy demonic join $({\\bigsqcup }_{\\mathrm{\\text{f}}\\mathrm{\\text{u}}\\mathrm{\\text{z}}})$ , fuzzy demonic meet $({\\sqcap }_{\\mathrm{\\text{f}}\\mathrm{\\text{u}}\\mathrm{\\text{z}}})$ , and fuzzy demonic composition $({\\square }_{\\mathrm{\\text{f}}\\mathrm{\\text{u}}\\mathrm{\\text{z}}})$ . Our definitions and properties are illustrated by some examples using ma...

  6. Experience with the Pascal® photocoagulator: An analysis of over 1200 laser procedures with regard to parameter refinement

    Directory of Open Access Journals (Sweden)

    Sheth Saumil

    2011-01-01

    Full Text Available Aim: To systematically refine and recommend parameter settings of spot size, power, and treatment duration using the Pascal® photocoagulator, a multi-spot, semi-automated, short-duration laser system. Materials and Methods: A retrospective consecutive series with 752 Caucasian eyes and 1242 laser procedures over two years were grouped into, (1 374 macular focal / grid photocoagulation (FP, (2, 666 panretinal photocoagulation (PRP, and (3 202 barrage photocoagulation (BP. Parameters for power, duration, spot number, and spot size were recorded for every group. Results: Power parameters for all groups showed a non-gaussian distribution; FP group, median 190 mW, range 100 - 950 mW, and PRP group, median 800 mW, range 100 - 2000 mW. On subgroup comparison, for similar spot size, as treatment duration decreased, the power required increased, albeit in a much lesser proportion than that given by energy = power x time. Most frequently used patterns were single spot (89% of cases in FP, 5 Χ 5 box (72% in PRP, and 2 Χ 2 box (78% in BP. Spot diameters as high as ≈ 700 μm on retina were given in the PRP group. Single session PRP was attempted in six eyes with a median spot count of 3500. Conclusion: Overall, due to the small duration of its pulse, the Pascal® photocoagulator tends to use higher powers, although much lower cumulative energies, than those used in a conventional laser. The consequent lesser heat dissipation, especially lateral, can allow one to use relatively larger spot sizes and give more closely spaced burns, without incurring significant side effects.

  7. Use of Rasch Analysis to Evaluate and Refine the Community Balance and Mobility Scale for Use in Ambulatory Community-Dwelling Adults Following Stroke

    Science.gov (United States)

    Pollock, Courtney L.; Brouwer, Brenda; Garland, S. Jayne

    2016-01-01

    Background The Community Balance and Mobility Scale (CB&M) is increasingly used to evaluate walking balance following stroke. Objective This study applied Rasch analysis to evaluate and refine the CB&M for use in ambulatory community-dwelling adults following stroke. Methods The CB&M content was linked to task demands and motor skill classifications. Rasch analysis was used to evaluate internal construct validity (structural validity) and refine the CB&M for use with ambulatory community-dwelling adults following stroke. The CB&M data were collected at 3 time points: at discharge from inpatient rehabilitation and at 6 and 12 months postdischarge (N=238). Rasch analysis evaluated scale dimensionality, item and person fit, item response bias, scoring hierarchy, and targeting. Disordered scoring hierarchy was resolved by collapsing scoring categories. Highly correlated and “misfitting” items were removed. Sensitivity to change was evaluated with standardized response means (SRMs) and one-way repeated-measures analysis of variance. Results The CB&M was primarily linked to closed body transport task demands. Significant item-trait interaction, disordered scoring hierarchies, and multidimensionality were found. Scoring categories were collapsed in 15/19 items, and 5 misfitting items were removed. The resulting stroke-specific 14-item unidimensional CB&M (CB&MStroke) fit Rasch model expectations, with no item response bias, acceptable targeting (13% floor effects and 0% ceiling effects), and moderate-to-strong sensitivity to change at 6 months postdischarge (SRM=0.63; 95% confidence interval=−1.523, −0.142) and 12 months postdischarge (SRM=0.73; 95% confidence interval=−2.318, −0.760). Limitations Findings are limited to a modest-sized sample of individuals with mild-to-moderate balance impairment following stroke. Conclusions The CB&MStroke shows promise as a clinical scale for measuring change in walking balance in ambulatory community-dwelling adults

  8. Study of effect of sintering time on the 2223 phase growth Bi-Pb-Sr-Ca-Cu-O superconductor by Rietveld method

    International Nuclear Information System (INIS)

    Parikin; Prasuad, W; Gunawan

    1996-01-01

    It has been reported that the sintering time is as important for the preparation of superconductor as the sintering temperature and method. This paper reports on the finding of the optimum sintering time in the preparation of the 2223 phase bismuth (Bi) superconductor. The samples were synthesized with nominal composition 1.84 : 0.34 : 1.91 : 2.03 : 3.06 from raw materials by solid state reaction and sintered at 860 o C for five days. The resintering were done three times, i.e. 24, 48 and 96 hours. The Rietveld analysis shows that the 2223 phase grows continuously as a function of the sintering time. The highest percentage of the 2223 phase (80.64%) were obtained at 96 hours sintering time. The result suggests that the 2223 phase can be obtained effectively by sintering with sufficiently long time

  9. Analysis of the zirconia structure by `ab initio` and Rietveld methods; Analise da estrutura da zirconia por metodos `Ab initio` e de Rietveld

    Energy Technology Data Exchange (ETDEWEB)

    Bechepeche, A.P.; Nasar, R.S.; Longo, E. [Sao Carlos Univ., SP (Brazil). Dept. de Quimica; Treu Junior, O.; Varela, J.A. [UNESP, Araraquara, SP (Brazil). Inst. de Quimica

    1995-12-31

    The zirconia was doped with 0,113 mol of Mg O e 0,005 mol of Ti O{sub 2}, and it was calcined in 1550{sup d}eg C and it was analyzed by XRD. The results shows that pure zirconia contains 96,19% of monoclinic phase and 3,18% of cubic. However, the doping magnesia stabilizes the zirconia in 17,24 of monoclinic; 29,63 of tetragonal and 53,13% of cubic phase. The addition of titanium in zirconia gives 25,85% of tetragonal phase and 37,66% of cubic, and this shows the no stabilizing action of this transition metal. By the other side, the results with ab-initio calculating shows the same tendency resulting in the next values of total energy: pure zirconia - monoclinic -11.316,86ua; tetragonal -8742,09 ua and cubic -8742,80 ua and Zr O{sub 2} Ti O{sub 2} system - monoclinic -9463,02 ua, tetragonal -9459,39 ua and cubic -9459,97 ua (author) 3 figs., 2 tabs.

  10. Static stability analysis of smart magneto-electro-elastic heterogeneous nanoplates embedded in an elastic medium based on a four-variable refined plate theory

    Science.gov (United States)

    Ebrahimi, Farzad; Barati, Mohammad Reza

    2016-10-01

    In this article, a nonlocal four-variable refined plate theory is developed to examine the buckling behavior of nanoplates made of magneto-electro-elastic functionally graded (MEE-FG) materials resting on Winkler-Pasternak foundation. Material properties of nanoplate change in spatial coordinate based on power-law distribution. The nonlocal governing equations are deduced by employing the Hamilton principle. For various boundary conditions, the analytical solutions of nonlocal MEE-FG plates for buckling problem will be obtained based on an exact solution approach. Finally, dependency of buckling response of MEE-FG nanoplate on elastic foundation parameters, magnetic potential, external electric voltage, various boundary conditions, small scale parameter, power-law index, plate side-to-thickness ratio and aspect ratio will be figure out. These results can be advantageous for the mechanical analysis and design of intelligent nanoscale structures constructed from magneto-electro-thermo-elastic functionally graded materials.

  11. European refining: evolution or revolution?

    International Nuclear Information System (INIS)

    Cuthbert, N.

    1999-01-01

    A recent detailed analysis of the refining business in Europe (by Purvin and Gurtz) was used to highlight some key issues facing the industry. The article was written under five sub-sections: (i) economic environment (assessment of the economic prospects for Europe), (ii) energy efficiency and global warming (lists the four points of the EU car makers' voluntary agreement), (iii) fuel quality and refinery investment (iv) refinery capacity and utilisation and (v) industry structure and development. Diagrams show GDP per capita for East and West, European road fuel demand to 2015 and European net trade and European refinery ownership by crude capacity. It was concluded that the future of refining in Europe is 'exciting and challenging' and there are likely to be more large joint venture refineries. (UK)

  12. Refining margins: recent trends

    International Nuclear Information System (INIS)

    Baudoin, C.; Favennec, J.P.

    1999-01-01

    Despite a business environment that was globally mediocre due primarily to the Asian crisis and to a mild winter in the northern hemisphere, the signs of improvement noted in the refining activity in 1996 were borne out in 1997. But the situation is not yet satisfactory in this sector: the low return on invested capital and the financing of environmental protection expenditure are giving cause for concern. In 1998, the drop in crude oil prices and the concomitant fall in petroleum product prices was ultimately rather favorable to margins. Two elements tended to put a damper on this relative optimism. First of all, margins continue to be extremely volatile and, secondly, the worsening of the economic and financial crisis observed during the summer made for a sharp decline in margins in all geographic regions, especially Asia. Since the beginning of 1999, refining margins are weak and utilization rates of refining capacities have decreased. (authors)

  13. Refining and petrochemicals

    Energy Technology Data Exchange (ETDEWEB)

    Constancio, Silva

    2006-07-01

    In 2004, refining margins showed a clear improvement that persisted throughout the first three quarters of 2005. This enabled oil companies to post significantly higher earnings for their refining activity in 2004 compared to 2003, with the results of the first half of 2005 confirming this trend. As for petrochemicals, despite a steady rise in the naphtha price, higher cash margins enabled a turnaround in 2004 as well as a clear improvement in oil company financial performance that should continue in 2005, judging by the net income figures reported for the first half-year. Despite this favorable business environment, capital expenditure in refining and petrochemicals remained at a low level, especially investment in new capacity, but a number of projects are being planned for the next five years. (author)

  14. Refining and petrochemicals

    International Nuclear Information System (INIS)

    Constancio, Silva

    2006-01-01

    In 2004, refining margins showed a clear improvement that persisted throughout the first three quarters of 2005. This enabled oil companies to post significantly higher earnings for their refining activity in 2004 compared to 2003, with the results of the first half of 2005 confirming this trend. As for petrochemicals, despite a steady rise in the naphtha price, higher cash margins enabled a turnaround in 2004 as well as a clear improvement in oil company financial performance that should continue in 2005, judging by the net income figures reported for the first half-year. Despite this favorable business environment, capital expenditure in refining and petrochemicals remained at a low level, especially investment in new capacity, but a number of projects are being planned for the next five years. (author)

  15. Indian refining industry

    International Nuclear Information System (INIS)

    Singh, I.J.

    2002-01-01

    The author discusses the history of the Indian refining industry and ongoing developments under the headings: the present state; refinery configuration; Indian capabilities for refinery projects; and reforms in the refining industry. Tables lists India's petroleum refineries giving location and capacity; new refinery projects together with location and capacity; and expansion projects of Indian petroleum refineries. The Indian refinery industry has undergone substantial expansion as well as technological changes over the past years. There has been progressive technology upgrading, energy efficiency, better environmental control and improved capacity utilisation. Major reform processes have been set in motion by the government of India: converting the refining industry from a centrally controlled public sector dominated industry to a delicensed regime in a competitive market economy with the introduction of a liberal exploration policy; dismantling the administered price mechanism; and a 25 year hydrocarbon vision. (UK)

  16. Refined estimates of local recurrence risks by DCIS score adjusting for clinicopathological features: a combined analysis of ECOG-ACRIN E5194 and Ontario DCIS cohort studies.

    Science.gov (United States)

    Rakovitch, E; Gray, R; Baehner, F L; Sutradhar, R; Crager, M; Gu, S; Nofech-Mozes, S; Badve, S S; Hanna, W; Hughes, L L; Wood, W C; Davidson, N E; Paszat, L; Shak, S; Sparano, J A; Solin, L J

    2018-06-01

    Better tools are needed to estimate local recurrence (LR) risk after breast-conserving surgery (BCS) for DCIS. The DCIS score (DS) was validated as a predictor of LR in E5194 and Ontario DCIS cohort (ODC) after BCS. We combined data from E5194 and ODC adjusting for clinicopathological factors to provide refined estimates of the 10-year risk of LR after treatment by BCS alone. Data from E5194 and ODC were combined. Patients with positive margins or multifocality were excluded. Identical Cox regression models were fit for each study. Patient-specific meta-analysis was used to calculate precision-weighted estimates of 10-year LR risk by DS, age, tumor size and year of diagnosis. The combined cohort includes 773 patients. The DS and age at diagnosis, tumor size and year of diagnosis provided independent prognostic information on the 10-year LR risk (p ≤ 0.009). Hazard ratios from E5194 and ODC cohorts were similar for the DS (2.48, 1.95 per 50 units), tumor size ≤ 1 versus  > 1-2.5 cm (1.45, 1.47), age ≥ 50 versus  15%) 10-year LR risk after BCS alone compared to utilization of DS alone or clinicopathological factors alone. The combined analysis provides refined estimates of 10-year LR risk after BCS for DCIS. Adding information on tumor size and age at diagnosis to the DS adjusting for year of diagnosis provides improved LR risk estimates to guide treatment decision making.

  17. Mineralogical characterization of a highly-weathered soil by the Rietveld Method Caracterização mineralógica de um solo altamente intemperizado pelo Método de Rietveld

    Directory of Open Access Journals (Sweden)

    André Maurício Brinatti

    2010-08-01

    Full Text Available The mineralogical characterization through mineral quantification of Brazilian soils by X-ray diffraction data using the Rietveld Method is not common. A mineralogical quantification of an Acric Ferralsol from the Ponta Grossa region, state of Paraná, Brazil, was carried out using this Method with X-Ray Diffraction data to verify if this method was suitable for mineral quantification of a highly-weathered soil. The A, AB and B3 horizons were fractioned to separate the different particle sizes: clay, silt, fine sand (by Stokes Law and coarse sand fractions (by sieving, with the procedure free of chemical treatments. X-ray Fluorescence, Inductively Coupled Plasma Atomic Emission Spectrometry, Infrared Spectroscopy and Mössbauer Spectroscopy were used in order to assist the mineral identification and quantification. The Rietveld Method enabled the quantification of the present minerals. In a general way, the quantitative mineralogical characterization by the Rietveld Method revealed that quartz, gibbsite, rutile, hematite, goethite, kaolinite and halloysite were present in the clay and silt fractions of all horizons. The silt fractions of the deeper horizons were different from the more superficial ones due to the presence of large amounts of quartz. The fine and the coarse sand fractions are constituted mainly by quartz. Therefore, a mineralogical quantification of the finer fraction (clay and silt by the Rietveld Method was successful.A caracterização mineralógica por meio da quantificação dos minerais presentes em solos brasileiros por difração de raios X usando o Método de Rietveld é, ainda, pouco comum. Neste trabalho foi realizada a quantificação mineralógica de um Latossolo Vermelho ácrico da região de Ponta Grossa, Paraná, Brasil, utilizando o Método de Rietveld com dados de Difração de Raios X e também verificado se o método foi adequado na quantificação mineral de um solo altamente intemperizado. Os horizontes A

  18. Flammable Gas Refined Safety Analysis Tool Software Verification and Validation Report for Resolve Version 2.5

    International Nuclear Information System (INIS)

    BRATZEL, D.R.

    2000-01-01

    The purpose of this report is to document all software verification and validation activities, results, and findings related to the development of Resolve Version 2.5 for the analysis of flammable gas accidents in Hanford Site waste tanks

  19. Refining - Panorama 2008

    International Nuclear Information System (INIS)

    2008-01-01

    Investment rallied in 2007, and many distillation and conversion projects likely to reach the industrial stage were announced. With economic growth sustained in 2006 and still pronounced in 2007, oil demand remained strong - especially in emerging countries - and refining margins stayed high. Despite these favorable business conditions, tensions persisted in the refining sector, which has fallen far behind in terms of investing in refinery capacity. It will take renewed efforts over a long period to catch up. Looking at recent events that have affected the economy in many countries (e.g. the sub-prime crisis), prudence remains advisable

  20. Refined finite element modelling for the vibration analysis of large rotating machines: Application to the gas turbine modular helium reactor power conversion unit

    International Nuclear Information System (INIS)

    Combescure, D.; Lazarus, A.; Lazarus, A.

    2008-01-01

    This paper is aimed at presenting refined finite element modelling used for dynamic analysis of large rotating machines. The first part shows an equivalence between several levels of modelling: firstly, models made of beam elements and rigid disc with gyroscopic coupling representing the position of the rotating shaft in an inertial frame; secondly full three-dimensional (3D) or 3D shell models of the rotor and the blades represented in the rotating frame and finally two-dimensional (2D) Fourier model for both rotor and stator. Simple cases are studied to better understand the results given by analysis performed using a rotating frame and the equivalence with the standard calculations with beam elements. Complete analysis of rotating machines can be performed with models in the frames best adapted for each part of the structure. The effects of several defects are analysed and compared with this approach. In the last part of the paper, the modelling approach is applied to the analysis of the large rotating shaft part of the power conversion unit of the GT-MHR nuclear reactor. (authors)

  1. Refined finite element modelling for the vibration analysis of large rotating machines: Application to the gas turbine modular helium reactor power conversion unit

    Energy Technology Data Exchange (ETDEWEB)

    Combescure, D.; Lazarus, A. [CEA Saclay, DEN/DM2S/SEMT/DYN, Dynam Anal Lab, Saclay, (France); Lazarus, A. [Ecole Polytech, Mecan Solides Lab, F-91128 Palaiseau, (France)

    2008-07-01

    This paper is aimed at presenting refined finite element modelling used for dynamic analysis of large rotating machines. The first part shows an equivalence between several levels of modelling: firstly, models made of beam elements and rigid disc with gyroscopic coupling representing the position of the rotating shaft in an inertial frame; secondly full three-dimensional (3D) or 3D shell models of the rotor and the blades represented in the rotating frame and finally two-dimensional (2D) Fourier model for both rotor and stator. Simple cases are studied to better understand the results given by analysis performed using a rotating frame and the equivalence with the standard calculations with beam elements. Complete analysis of rotating machines can be performed with models in the frames best adapted for each part of the structure. The effects of several defects are analysed and compared with this approach. In the last part of the paper, the modelling approach is applied to the analysis of the large rotating shaft part of the power conversion unit of the GT-MHR nuclear reactor. (authors)

  2. Panorama 2012 - Refining 2030

    International Nuclear Information System (INIS)

    Marion, Pierre; Saint-Antonin, Valerie

    2011-11-01

    The major uncertainty characterizing the global energy landscape impacts particularly on transport, which remains the virtually-exclusive bastion of the oil industry. The industry must therefore respond to increasing demand for mobility against a background marked by the emergence of alternatives to oil-based fuels and the need to reduce emissions of pollutants and greenhouse gases (GHG). It is in this context that the 'Refining 2030' study conducted by IFP Energies Nouvelles (IFPEN) forecasts what the global supply and demand balance for oil products could be, and highlights the type and geographical location of the refinery investment required. Our study shows that the bulk of the refining investment will be concentrated in the emerging countries (mainly those in Asia), whilst the areas historically strong in refining (Europe and North America) face reductions in capacity. In this context, the drastic reduction in the sulphur specification of bunker oil emerges as a structural issue for European refining, in the same way as increasingly restrictive regulation of refinery CO 2 emissions (quotas/taxation) and the persistent imbalance between gasoline and diesel fuels. (authors)

  3. Refined 2D and Exact 3D Shell Models for the Free Vibration Analysis of Single- and Double-Walled Carbon Nanotubes

    Directory of Open Access Journals (Sweden)

    Salvatore Brischetto

    2015-12-01

    Full Text Available The present paper talks about the free vibration analysis of simply supported Single- and Double-Walled Carbon Nanotubes (SWCNTs and DWCNTs. Refined 2D Generalized Differential Quadrature (GDQ shell methods and an exact 3D shell model are compared. A continuum approach (based on an elastic three-dimensional shell model is used for natural frequency investigation of SWCNTs and DWCNTs. SWCNTs are defined as isotropic cylinders with an equivalent thickness and Young modulus. DWCNTs are defined as two concentric isotropic cylinders (with an equivalent thickness and Young modulus which can be linked by means of the interlaminar continuity conditions or by means of van der Waals interactions. Layer wise approaches are mandatory for the analysis of van der Waals forces in DWCNTs. The effect of van der Waals interaction between the two cylinders is shown for different DWCNT lengths, diameters and vibration modes. The accuracy of beam models and classical 2D shell models in the free vibration analysis of SWCNTs and DWCNTs is also investigated.

  4. A 350 ka record of climate change from Lake El'gygytgyn, Far East Russian Arctic: refining the pattern of climate modes by means of cluster analysis

    Directory of Open Access Journals (Sweden)

    U. Frank

    2013-07-01

    Full Text Available Rock magnetic, biochemical and inorganic records of the sediment cores PG1351 and Lz1024 from Lake El'gygytgyn, Chukotka peninsula, Far East Russian Arctic, were subject to a hierarchical agglomerative cluster analysis in order to refine and extend the pattern of climate modes as defined by Melles et al. (2007. Cluster analysis of the data obtained from both cores yielded similar results, differentiating clearly between the four climate modes warm, peak warm, cold and dry, and cold and moist. In addition, two transitional phases were identified, representing the early stages of a cold phase and slightly colder conditions during a warm phase. The statistical approach can thus be used to resolve gradual changes in the sedimentary units as an indicator of available oxygen in the hypolimnion in greater detail. Based upon cluster analyses on core Lz1024, the published succession of climate modes in core PG1351, covering the last 250 ka, was modified and extended back to 350 ka. Comparison to the marine oxygen isotope (δ18O stack LR04 (Lisiecki and Raymo, 2005 and the summer insolation at 67.5° N, with the extended Lake El'gygytgyn parameter records of magnetic susceptibility (κLF, total organic carbon content (TOC and the chemical index of alteration (CIA; Minyuk et al., 2007, revealed that all stages back to marine isotope stage (MIS 10 and most of the substages are clearly reflected in the pattern derived from the cluster analysis.

  5. Analysis of the zirconia structure by 'ab initio' and Rietveld methods

    International Nuclear Information System (INIS)

    Bechepeche, A.P.; Nasar, R.S.; Longo, E.; Treu Junior, O.; Varela, J.A.

    1995-01-01

    The zirconia was doped with 0,113 mol of Mg O e 0,005 mol of Ti O 2 , and it was calcined in 1550 d eg C and it was analyzed by XRD. The results shows that pure zirconia contains 96,19% of monoclinic phase and 3,18% of cubic. However, the doping magnesia stabilizes the zirconia in 17,24 of monoclinic; 29,63 of tetragonal and 53,13% of cubic phase. The addition of titanium in zirconia gives 25,85% of tetragonal phase and 37,66% of cubic, and this shows the no stabilizing action of this transition metal. By the other side, the results with ab-initio calculating shows the same tendency resulting in the next values of total energy: pure zirconia - monoclinic -11.316,86ua; tetragonal -8742,09 ua and cubic -8742,80 ua and Zr O 2 Ti O 2 system - monoclinic -9463,02 ua, tetragonal -9459,39 ua and cubic -9459,97 ua (author)

  6. Rietveld analysis of phase separation in annealed and leach tested Cm-doped perovskite

    International Nuclear Information System (INIS)

    White, T.J.

    1995-01-01

    A quantitative powder X-ray diffraction study was made of actinide doped perovskite of bulk composition Ca 0.98919 An 0.98919 Al 0.01081 O 3 where An corresponded to approximately equimolar proportions of Cm-244 and Pu-240. Sections of this sample accumulated irradiation doses up to 7.51 x 10 17 alpha decay events per gram (α/g). The damaged samples were treated in two ways. First, to establish the critical temperature for structural recovery under the reducing conditions of geological repositories, isochronal annealing was carried out at 600, 800, 1,000 and 1,100 C for 12 hours in graphite crucibles. Two groups of perovskites that had previously sustained doses of 4.5 x 10 17 and 7.4 x 10 17 α/g were tested in this way. For the former group, these conditions resulted in up to 9 weight percent (wt%) of available actinide separating as a fluorite-type dioxide near the perovskite surface. In the latter group, calcium was reduced to the metal which vaporized, leaving an excess of refractory titanium that crystallized as rutile. Second, material which has sustained doses of 1.6--4.0 x 10 17 alpha decays per gram was subjected to an MCC-1 leach test for two months at 90 C using a pH ∼ 2 solution. Under these conditions surficial perovskite dissolved congruently to release calcium into solution while the titanium reprecipitated as anatase. The implications of these results for the ultimate disposal of perovskite-bearing polyphase nuclear waste ceramics are considered

  7. Rietveld refinement of the langbeinite-type mixed-metal phosphate K2Ni0.5Zr1.5(PO43

    Directory of Open Access Journals (Sweden)

    Igor V. Zatovsky

    2014-07-01

    Full Text Available Dipotassium [nickel(II zirconium(IV] tris(orthophosphate was prepared from a self-flux in the system K2O–P2O5–NiO–K2ZrF6. The title compound belongs to the langbeinite family and is built up from two [MO6] octahedra [M = Ni:Zr with mixed occupancy in ratios of 0.21 (4:0.79 (4 and 0.29 (4:0.71 (4, respectively] and [PO4] tetrahedra interlinked via vertices into a 3∞[M2(PO43] framework. Two independent K+ cations are located in large cavities of the framework, with coordination numbers to O2− anions of nine and twelve. The K, Ni, and Zr sites are located on threefold rotation axes.

  8. US refining reviewed

    International Nuclear Information System (INIS)

    Yamaguchi, N.D.

    1998-01-01

    The paper reviews the history, present position and future prospects of the petroleum industry in the USA. The main focus is on supply and demand, the high quality of the products, refinery capacity and product trade balances. Diagrams show historical trends in output, product demand, demand for transport fuels and oil, refinery capacity, refinery closures, and imports and exports. Some particularly salient points brought out were (i) production of US crude shows a marked downward trend but imports of crude will continue to increase, (ii) product demand will continue to grow even though the levels are already high, (iii) the demand is dominated by those products that typically yield the highest income for the refiner, (i.e. high quality transport fuels for environmental compliance), (iv) refinery capacity has decreased since 1980 and (v) refining will continue to have financial problems but will still be profitable. (UK)

  9. Outlook for Canadian refining

    International Nuclear Information System (INIS)

    Boje, G.

    1998-01-01

    The petroleum supply and demand balance was discussed and a comparison between Canadian and U.S. refineries was provided. The impact of changing product specifications on the petroleum industry was also discussed. The major changes include sulphur reductions in gasoline, benzene and MMT additives. These changes have been made in an effort to satisfy environmental needs. Geographic margin variations in refineries between east and west were reviewed. An overview of findings from the Solomon Refining Study of Canadian and American refineries, which has been very complimentary of the Canadian refining industry, was provided. From this writer's point of view refinery utilization has improved but there is a threat from increasing efficiency of US competitors. Environmental issues will continue to impact upon the industry and while the chances for making economic returns on investment are good for the years ahead, it will be a challenge to maintain profitability

  10. Integrative miRNA-Gene Expression Analysis Enables Refinement of Associated Biology and Prediction of Response to Cetuximab in Head and Neck Squamous Cell Cancer

    Directory of Open Access Journals (Sweden)

    Loris De Cecco

    2017-01-01

    Full Text Available This paper documents the process by which we, through gene and miRNA expression profiling of the same samples of head and neck squamous cell carcinomas (HNSCC and an integrative miRNA-mRNA expression analysis, were able to identify candidate biomarkers of progression-free survival (PFS in patients treated with cetuximab-based approaches. Through sparse partial least square–discriminant analysis (sPLS-DA and supervised analysis, 36 miRNAs were identified in two components that clearly separated long- and short-PFS patients. Gene set enrichment analysis identified a significant correlation between the miRNA first-component and EGFR signaling, keratinocyte differentiation, and p53. Another significant correlation was identified between the second component and RAS, NOTCH, immune/inflammatory response, epithelial–mesenchymal transition (EMT, and angiogenesis pathways. Regularized canonical correlation analysis of sPLS-DA miRNA and gene data combined with the MAGIA2 web-tool highlighted 16 miRNAs and 84 genes that were interconnected in a total of 245 interactions. After feature selection by a smoothed t-statistic support vector machine, we identified three miRNAs and five genes in the miRNA-gene network whose expression result was the most relevant in predicting PFS (Area Under the Curve, AUC = 0.992. Overall, using a well-defined clinical setting and up-to-date bioinformatics tools, we are able to give the proof of principle that an integrative miRNA-mRNA expression could greatly contribute to the refinement of the biology behind a predictive model.

  11. Future of French refining

    International Nuclear Information System (INIS)

    Calvet, B.

    1993-01-01

    Over recent years, the refining industry has had to grapple with a growing burden of environmental and safety regulations concerning not only its plants and other facilities, but also its end products. At the same time, it has had to bear the effects of the reduction of the special status that used to apply to petroleum, and the consequences of economic freedom, to which we should add, as specifically concerns the French market, the impact of energy policy and the pro-nuclear option. The result is a drop in heavy fuel oil from 36 million tonnes per year in 1973 to 6.3 million in 1992, and in home-heating fuel from 37 to 18 million per year. This fast-moving market is highly competitive. The French market in particular is wide open to imports, but the refining companies are still heavy exporters for those products with high added-value, like lubricants, jet fuel, and lead-free gasolines. The competition has led the refining companies to commit themselves to quality, and to publicize their efforts in this direction. This is why the long-term perspectives for petroleum fuels are still wide open. This is supported by the probable expectation that the goal of economic efficiency is likely to soften the effects of the energy policy, which penalizes petroleum products, in that they have now become competitive again. In the European context, with the challenge of environmental protection and the decline in heavy fuel outlets, French refining has to keep on improving the quality of its products and plants, which means major investments. The industry absolutely must return to a more normal level of profitability, in order to sustain this financial effort, and generate the prosperity of its high-performance plants and equipment. 1 fig., 5 tabs

  12. Process for refining hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Risenfeld, E H

    1924-11-26

    A process is disclosed for the refining of hydrocarbons or other mixtures through treatment in vapor form with metal catalysts, characterized by such metals being used as catalysts, which are obtained by reduction of the oxide of minerals containing the iron group, and by the vapors of the hydrocarbons, in the presence of the water vapor, being led over these catalysts at temperatures from 200 to 300/sup 0/C.

  13. High Resolution Modeling of the Water Cycle to Refine GRACE Signal Analysis in the Gulf of Alaska Drainage

    Science.gov (United States)

    Beamer, J.; Hill, D. F.; Arendt, A. A.; Luthcke, S. B.; Liston, G. E.

    2015-12-01

    A comprehensive study of the Gulf of Alaska (GOA) drainage basin was carried out to improve understanding of the coastal freshwater discharge (FWD) and surface mass balance (SMB) of glaciers. Coastal FWD and SMB for all glacier surfaces were modeled using a suite of physically based, spatially distributed weather, energy-balance snow/ice melt, soil water balance, and runoff routing models at a high resolution (1 km horizontal grid; daily time step). A 35 year hind cast was performed, providing complete records of precipitation, runoff, snow water equivalent (SWE) depth, evapotranspiration, coastal FWD and glacier SMB. Meteorological forcing was provided by the North American Regional Reanalysis (NARR), Modern Era Retrospective Analysis for Research and Applications (MERRA), and NCEP Climate Forecast System Reanalysis (CFSR) datasets. A fourth dataset was created by bias-correcting the NARR data to recently-developed monthly weather grids based on PRISM climatologies (NARR-BC). Each weather dataset and model combination was individually calibrated using PRISM climatologies, streamflow, and glacier mass balance measurements from four locations in the study domain. Simulated mean annual FWD into the GOA ranged from 600 km3 yr-1 using NARR to 850 km3 yr-1 from NARR-BC. The CFSR-forced simulations with optimized model parameters produced a simulated regional water storage that compared favorably to data from the NASA/DLR Gravity Recovery and Climate Experiment (GRACE) high resolution mascon solutions (Figure). Glacier runoff, taken as the sum of rainfall, snow and ice melt occurring on glacier surfaces, ranged from 260 km3 yr-1 from MERRA to 400 km3 yr-1 from NARR-BC, approximately one half of the signal from both glaciers and surrounding terrain. The large contribution from non-glacier surfaces to the seasonal water balance is likely not being fully removed from GRACE solutions aimed at isolating the glacier signal alone. We will discuss methods to use our simulations

  14. Panorama 2009 - refining

    International Nuclear Information System (INIS)

    2008-01-01

    For oil companies to invest in new refining and conversion capacity, favorable conditions over time are required. In other words, refining margins must remain high and demand sustained over a long period. That was the situation prevailing before the onset of the financial crisis in the second half of 2008. The economic conjuncture has taken a substantial turn for the worse since then and the forecasts for 2009 do not look bright. Oil demand is expected to decrease in the OECD countries and to grow much more slowly in the emerging countries. It is anticipated that refining margins will fall in 2009 - in 2008, they slipped significantly in the United States - as a result of increasingly sluggish demand, especially for light products. The next few months will probably be unfavorable to investment. In addition to a gloomy business outlook, there may also be a problem of access to sources of financing. As for investment projects, a mainstream trend has emerged in the last few years: a shift away from the regions that have historically been most active (the OECD countries) towards certain emerging countries, mostly in Asia or the Middle East. The new conjuncture will probably not change this trend

  15. Refining discordant gene trees.

    Science.gov (United States)

    Górecki, Pawel; Eulenstein, Oliver

    2014-01-01

    Evolutionary studies are complicated by discordance between gene trees and the species tree in which they evolved. Dealing with discordant trees often relies on comparison costs between gene and species trees, including the well-established Robinson-Foulds, gene duplication, and deep coalescence costs. While these costs have provided credible results for binary rooted gene trees, corresponding cost definitions for non-binary unrooted gene trees, which are frequently occurring in practice, are challenged by biological realism. We propose a natural extension of the well-established costs for comparing unrooted and non-binary gene trees with rooted binary species trees using a binary refinement model. For the duplication cost we describe an efficient algorithm that is based on a linear time reduction and also computes an optimal rooted binary refinement of the given gene tree. Finally, we show that similar reductions lead to solutions for computing the deep coalescence and the Robinson-Foulds costs. Our binary refinement of Robinson-Foulds, gene duplication, and deep coalescence costs for unrooted and non-binary gene trees together with the linear time reductions provided here for computing these costs significantly extends the range of trees that can be incorporated into approaches dealing with discordance.

  16. Towards automated crystallographic structure refinement with phenix.refine

    OpenAIRE

    Afonine, Pavel V.; Grosse-Kunstleve, Ralf W.; Echols, Nathaniel; Headd, Jeffrey J.; Moriarty, Nigel W.; Mustyakimov, Marat; Terwilliger, Thomas C.; Urzhumtsev, Alexandre; Zwart, Peter H.; Adams, Paul D.

    2012-01-01

    phenix.refine is a program within the PHENIX package that supports crystallographic structure refinement against experimental data with a wide range of upper resolution limits using a large repertoire of model parameterizations. It has several automation features and is also highly flexible. Several hundred parameters enable extensive customizations for complex use cases. Multiple user-defined refinement strategies can be applied to specific parts of the model in a single refinement run. An i...

  17. Towards automated crystallographic structure refinement with phenix.refine

    Energy Technology Data Exchange (ETDEWEB)

    Afonine, Pavel V., E-mail: pafonine@lbl.gov; Grosse-Kunstleve, Ralf W.; Echols, Nathaniel; Headd, Jeffrey J.; Moriarty, Nigel W. [Lawrence Berkeley National Laboratory, One Cyclotron Road, MS64R0121, Berkeley, CA 94720 (United States); Mustyakimov, Marat; Terwilliger, Thomas C. [Los Alamos National Laboratory, M888, Los Alamos, NM 87545 (United States); Urzhumtsev, Alexandre [CNRS–INSERM–UdS, 1 Rue Laurent Fries, BP 10142, 67404 Illkirch (France); Université Henri Poincaré, Nancy 1, BP 239, 54506 Vandoeuvre-lès-Nancy (France); Zwart, Peter H. [Lawrence Berkeley National Laboratory, One Cyclotron Road, MS64R0121, Berkeley, CA 94720 (United States); Adams, Paul D. [Lawrence Berkeley National Laboratory, One Cyclotron Road, MS64R0121, Berkeley, CA 94720 (United States); University of California Berkeley, Berkeley, CA 94720 (United States)

    2012-04-01

    phenix.refine is a program within the PHENIX package that supports crystallographic structure refinement against experimental data with a wide range of upper resolution limits using a large repertoire of model parameterizations. This paper presents an overview of the major phenix.refine features, with extensive literature references for readers interested in more detailed discussions of the methods. phenix.refine is a program within the PHENIX package that supports crystallographic structure refinement against experimental data with a wide range of upper resolution limits using a large repertoire of model parameterizations. It has several automation features and is also highly flexible. Several hundred parameters enable extensive customizations for complex use cases. Multiple user-defined refinement strategies can be applied to specific parts of the model in a single refinement run. An intuitive graphical user interface is available to guide novice users and to assist advanced users in managing refinement projects. X-ray or neutron diffraction data can be used separately or jointly in refinement. phenix.refine is tightly integrated into the PHENIX suite, where it serves as a critical component in automated model building, final structure refinement, structure validation and deposition to the wwPDB. This paper presents an overview of the major phenix.refine features, with extensive literature references for readers interested in more detailed discussions of the methods.

  18. Enstatite, Mg2Si2O6: A neutron diffraction refinement of the crystal structure and a rigid-body analysis of the thermal vibration

    International Nuclear Information System (INIS)

    Ghose, S.; Schomaker, V.; McMullan, R.K.

    1986-01-01

    Synthetic enstatite, Mg 2 Si 2 O 6 , is orthorhombic, space group Pbca, with eight formula units per cell and lattice parameters a = 18.235(3), b = 8.818(1), c = 5.179(1) A at 23 0 C. A least-squares structure refinement based on 1790 neutron intensity data converged with an agreement factor R(F 2 ) = 0.032, yielding Mg-O and Si-O bond lengths with standard deviations of 0.0007 and 0.0008 A, respectively. The variations observed in the Si-O bond lengths within the silicate tetrahedra A and B are caused by the differences in primary coordination of the oxygen atoms and the proximity of the magnesium ions to the silicon atoms. The latter effect is most pronounced for the bridging bonds of tetrahedron. A. The smallest O-Si-O angle is the result of edge-sharing by the Mg(2) octahedron and the A tetrahedron. An analysis of rigid-body thermal vibrations of the two crystallographically independent [SiO 4 ] tetrahedra indicates considerable librational motion, leading to a thermal correction of apparent Si-O bond lengths as large as +0.002 A at room temperature. (orig.)

  19. Thermodynamic analysis and performance optimization of an ORC (Organic Rankine Cycle) system for multi-strand waste heat sources in petroleum refining industry

    International Nuclear Information System (INIS)

    Song, Jian; Li, Yan; Gu, Chun-wei; Zhang, Li

    2014-01-01

    Low-grade waste heat source accounts for a large part of the total industrial waste heat, which cannot be efficiently recovered. The ORC (Organic Rankine Cycle) system has been proved to be a promising solution for the utilization of low-grade heat sources. It is evident that there might be several waste heat sources distributing in different temperature levels in one industry unit, and the entire recovery system will be extremely large and complex if the different heat sources are utilized one by one through several independent ORC subsystems. This paper aims to design and optimize a comprehensive ORC system to recover multi-strand waste heat sources in Shijiazhuang Refining and Chemical Company in China, involving defining suitable working fluids and operating parameters. Thermal performance is a first priority criterion for the system, and system simplicity, technological feasibility and economic factors are considered during optimization. Four schemes of the recovery system are presented in continuous optimization progress. By comparison, the scheme of dual integrated subsystems with R141B as a working fluid is optimal. Further analysis is implemented from the view of economic factors and off-design conditions. The analytical method and optimization progress presented can be widely applied in similar multi-strand waste heat sources recovery. - Highlights: • This paper focuses on the recovery of multi-strand waste heat sources. • ORC technology is used as a promising solution for the recovery. • Thermal performance, system simplicity and economic factors are considered

  20. Crystal structure refinement of α-Si3N4 using synchrotron radiation powder diffraction data: unbiased refinement strategy

    International Nuclear Information System (INIS)

    Toraya, H.

    2000-01-01

    The crystal structure of α-silicon nitride (Si 3 N 4 ) was refined by the Rietveld method using synchrotron radiation powder diffraction data (wavelength = 1.2 A) collected at station BL-4B2 in the photon factory. A refinement procedure that adopted a new weight function, w = 1/Y o e (Y o is the observed profile intensity and e ≅ 2), for the least-squares fitting [Toraya (1998). J. Appl. Cryst. 31, 333-343] was studied. The most reasonable structural parameters were obtained with e = 1.7. Crystal data of α-Si 3 N 4 : trigonal, P31c, a = 7.75193 (3), c = 5.61949 (4) A, V = 292.447 (3) A 3 , Z = 4; R p = 5.08, R wp = 6.50, R B = 3.36, R F = 2.26%. The following five factors are considered equally important for deriving accurate structural parameters from powder diffraction data: (i) sufficiently large sin θ/λ range of >0.8 A -1 ; (ii) adequate counting statistics; (iii) correct profile model; (iv) proper weighting on observations to give a uniform distribution of the mean weighted squared residuals; (v) high-angular-resolution powder diffraction data. (orig.)

  1. Hirshfeld atom refinement.

    Science.gov (United States)

    Capelli, Silvia C; Bürgi, Hans-Beat; Dittrich, Birger; Grabowsky, Simon; Jayatilaka, Dylan

    2014-09-01

    Hirshfeld atom refinement (HAR) is a method which determines structural parameters from single-crystal X-ray diffraction data by using an aspherical atom partitioning of tailor-made ab initio quantum mechanical molecular electron densities without any further approximation. Here the original HAR method is extended by implementing an iterative procedure of successive cycles of electron density calculations, Hirshfeld atom scattering factor calculations and structural least-squares refinements, repeated until convergence. The importance of this iterative procedure is illustrated via the example of crystalline ammonia. The new HAR method is then applied to X-ray diffraction data of the dipeptide Gly-l-Ala measured at 12, 50, 100, 150, 220 and 295 K, using Hartree-Fock and BLYP density functional theory electron densities and three different basis sets. All positions and anisotropic displacement parameters (ADPs) are freely refined without constraints or restraints - even those for hydrogen atoms. The results are systematically compared with those from neutron diffraction experiments at the temperatures 12, 50, 150 and 295 K. Although non-hydrogen-atom ADPs differ by up to three combined standard uncertainties (csu's), all other structural parameters agree within less than 2 csu's. Using our best calculations (BLYP/cc-pVTZ, recommended for organic molecules), the accuracy of determining bond lengths involving hydrogen atoms from HAR is better than 0.009 Å for temperatures of 150 K or below; for hydrogen-atom ADPs it is better than 0.006 Å(2) as judged from the mean absolute X-ray minus neutron differences. These results are among the best ever obtained. Remarkably, the precision of determining bond lengths and ADPs for the hydrogen atoms from the HAR procedure is comparable with that from the neutron measurements - an outcome which is obtained with a routinely achievable resolution of the X-ray data of 0.65 Å.

  2. Structural refinement of Nd[Fe(CN)6].4H2O and study of NdFeO3 obtained by its oxidative thermal decomposition at very low temperatures

    International Nuclear Information System (INIS)

    Navarro, M. Carolina; Pannunzio-Miner, Elisa V.; Pagola, Silvina; Gomez, M. Ines; Carbonio, Raul E.

    2005-01-01

    The crystal structure of Nd[Fe(CN) 6 ].4H 2 O has been refined by Rietveld analysis using high resolution synchrotron powder X-ray diffraction data. It belonged to the orthorhombic crystal system, Cmcm space group, with cell parameters: a=7.473952(1)A, b=12.919104(2)A and c=13.800549(2)A. The change in space group from P6 3 /m which is observed in the pentahydrates (LnFe(CN) 6 .5H 2 O) to Cmcm in the tetrahydrates has been analyzed to be a consequence of the change in 9-fold coordination of Nd 3+ in the pentahydrates to 8-fold coordination in the tetrahydrates, which changes the Nd 3+ environment from tricapped trigonal prism to a distorted tricapped trigonal prism or square antiprism. Its decomposition process in air to produce NdFeO 3 has been followed by thermogravimetric and differential thermal analysis, IR spectroscopy and laboratory powder XRD. We found that it is possible to synthesize crystalline NdFeO 3 at temperatures as low as 380 o C and refine the structure of single phase crystalline NdFeO 3 synthesized by this method at 600 deg. C

  3. Refining and petrochemicals

    International Nuclear Information System (INIS)

    Benazzi, E.

    2003-01-01

    Down sharply in 2002, refining margins showed a clear improvement in the first half-year of 2003. As a result, the earnings reported by oil companies for financial year 2002 were significantly lower than in 2001, but the prospects are brighter for 2003. In the petrochemicals sector, slow demand and higher feedstock prices eroded margins in 2002, especially in Europe and the United States. The financial results for the first part of 2003 seem to indicate that sector profitability will not improve before 2004. (author)

  4. Refining and petrochemicals

    International Nuclear Information System (INIS)

    Benazzi, E.; Alario, F.

    2004-01-01

    In 2003, refining margins showed a clear improvement that continued throughout the first three quarters of 2004. Oil companies posted significantly higher earnings in 2003 compared to 2002, with the results of first quarter 2004 confirming this trend. Due to higher feedstock prices, the implementation of new capacity and more intense competition, the petrochemicals industry was not able to boost margins in 2003. In such difficult business conditions, aggravated by soaring crude prices, the petrochemicals industry is not likely to see any improvement in profitability before the second half of 2004. (author)

  5. Refining mineral oils

    Energy Technology Data Exchange (ETDEWEB)

    1946-07-05

    A process is described refining raw oils such as mineral oils, shale oils, tar, their fractions and derivatives, by extraction with a selected solvent or a mixture of solvents containing water, forming a solvent more favorable for the hydrocarbons poor in hydrogen than for hydrocarbons rich in hydrogen, this process is characterized by the addition of an aiding solvent for the water which can be mixed or dissolved in the water and the solvent or in the dissolving mixture and increasing in this way the solubility of the water in the solvent or the dissolving mixture.

  6. Nance-Horan syndrome: linkage analysis in 4 families refines localization in Xp22.31-p22.13 region.

    Science.gov (United States)

    Toutain, A; Ronce, N; Dessay, B; Robb, L; Francannet, C; Le Merrer, M; Briard, M L; Kaplan, J; Moraine, C

    1997-02-01

    Nance-Horan syndrome (NHS) is an X-linked disease characterized by severe congenital cataract with microcornea, distinctive dental findings, evocative facial features and mental impairment in some cases. Previous linkage studies have placed the NHS gene in a large region from DXS143 (Xp22.31) to DXS451 (Xp22.13). To refine this localization further, we have performed linkage analysis in four families. As the maximum expected Lod score is reached in each family for several markers in the Xp22.31-p22.13 region and linkage to the rest of the X chromosome can be excluded, our study shows that NHS is a genetically homogeneous condition. An overall maximum two-point Lod score of 9.36 (theta = 0.00) is obtained with two closely linked markers taken together. DXS207 and DXS1053 in Xp22.2. Recombinant haplotypes indicate that the NHS gene lies between DXS85 and DXS1226. Multipoint analysis yield a maximum Lod score of 9.45 with the support interval spanning a 15-cM region that includes DXS16 and DXS1229/365. The deletion map of the Xp22.3-Xp21.3 region suggests that the phenotypic variability of NHS is not related to gross rearrangement of sequences of varying size but rather to allelic mutations in a single gene, presumably located proximal to DXS16 and distal to DXS1226. Comparison with the map position of the mouse Xcat mutation supports the location of the NHS gene between the GRPR and PDHA1 genes in Xp22.2.

  7. Atlantic Basin refining profitability

    International Nuclear Information System (INIS)

    Jones, R.J.

    1998-01-01

    A review of the profitability margins of oil refining in the Atlantic Basin was presented. Petroleum refiners face the continuous challenge of balancing supply with demand. It would appear that the profitability margins in the Atlantic Basin will increase significantly in the near future because of shrinking supply surpluses. Refinery capacity utilization has reached higher levels than ever before. The American Petroleum Institute reported that in August 1997, U.S. refineries used 99 per cent of their capacity for several weeks in a row. U.S. gasoline inventories have also declined as the industry has focused on reducing capital costs. This is further evidence that supply and demand are tightly balanced. Some of the reasons for tightening supplies were reviewed. It was predicted that U.S. gasoline demand will continue to grow in the near future. Gasoline demand has not declined as expected because new vehicles are not any more fuel efficient today than they were a decade ago. Although federally-mandated fuel efficiency standards were designed to lower gasoline consumption, they may actually have prevented consumption from falling. Atlantic margins were predicted to continue moving up because of the supply and demand evidence: high capacity utilization rates, low operating inventories, limited capacity addition resulting from lower capital spending, continued U.S. gasoline demand growth, and steady total oil demand growth. 11 figs

  8. Petroleum refining industry in China

    International Nuclear Information System (INIS)

    Walls, W.D.

    2010-01-01

    The oil refining industry in China has faced rapid growth in oil imports of increasingly sour grades of crude with which to satisfy growing domestic demand for a slate of lighter and cleaner finished products sold at subsidized prices. At the same time, the world petroleum refining industry has been moving from one that serves primarily local and regional markets to one that serves global markets for finished products, as world refining capacity utilization has increased. Globally, refined product markets are likely to experience continued globalization until refining investments significantly expand capacity in key demand regions. We survey the oil refining industry in China in the context of the world market for heterogeneous crude oils and growing world trade in refined petroleum products. (author)

  9. The relationship between viscosity and refinement efficiency of pure aluminum by Al-Ti-B refiner

    Energy Technology Data Exchange (ETDEWEB)

    Yu Lina [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, 73 Jingshi Road, Jinan 250061 (China); Liu Xiangfa [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, 73 Jingshi Road, Jinan 250061 (China)]. E-mail: xfliu@sdu.edu.cn

    2006-11-30

    The relationship between viscosity and refinement efficiency of pure aluminum with the addition of Al-Ti-B master alloy was studied in this paper. The experimental results show that when the grain size of solidified sample is finer the viscosity of the melt is higher after the addition of different Al-Ti-B master alloys. This indicates that viscosity can be used to approximately estimate the refinement efficiency of Al-Ti-B refiners in production to a certain extent. The main reason was also discussed in this paper by using transmission electron microscopy (TEM) analysis and differential scanning calorimetry (DSC) experiment.

  10. Solution of free-boundary problems using finite-element/Newton methods and locally refined grids - Application to analysis of solidification microstructure

    Science.gov (United States)

    Tsiveriotis, K.; Brown, R. A.

    1993-01-01

    A new method is presented for the solution of free-boundary problems using Lagrangian finite element approximations defined on locally refined grids. The formulation allows for direct transition from coarse to fine grids without introducing non-conforming basis functions. The calculation of elemental stiffness matrices and residual vectors are unaffected by changes in the refinement level, which are accounted for in the loading of elemental data to the global stiffness matrix and residual vector. This technique for local mesh refinement is combined with recently developed mapping methods and Newton's method to form an efficient algorithm for the solution of free-boundary problems, as demonstrated here by sample calculations of cellular interfacial microstructure during directional solidification of a binary alloy.

  11. Study on structural refinement and electrochemical behaviour of Ba0.5Sr0.5Co0.8Fe0.2O3-δ as cathode materials for intermediate temperature solid oxide fuel cells (IT-SOFC)

    Science.gov (United States)

    Kautkar, Pranay R.; Shirbhate, Shraddha C.; Acharya, Smita A.

    2018-05-01

    Ba0.5Sr0.5Co0.8Fe0.2O3-δ (BSCF) was prepared by ethylene glycol-citrate combined sol-gel combustion route and calcined at optimized temperature 1050°C. The X-ray Diffraction (XRD) data revealing the crystal purity of BSCF cathode was refined by the Cubic-type structure having the space group Pm-3m by Rietveld analysis. Refined lattice parameter of BSCF cathode is a = 3.9759 Å and unit cell volume is 62.85 (4) Å3, Co/Fe-O bond length from VESTA program figured out to be 1.987 (3) Å. Electron density distribution (EDD) of the unit cell of BSCF cathode shows the bonding feature with oxygen ions, this could represent oxygen vacancies are present in the lattice. These results reflected in electrochemical impedance spectra measurement of symmetric cell. Area of specific resistance (ASR) of the BSCF cathode was found to be 0.17 Ω.cm2 at 700°C and respective activation energy (Ea) 1.15 eV. It shows surface exchange at cathode interface, surface diffusion and self-diffusion happened through Ce0.85Sd0.15O1.95 (SDC15) electrolyte.

  12. Numerical analysis of impurity separation from waste salt by investigating the change of concentration at the interface during zone refining process

    Science.gov (United States)

    Choi, Ho-Gil; Shim, Moonsoo; Lee, Jong-Hyeon; Yi, Kyung-Woo

    2017-09-01

    The waste salt treatment process is required for the reuse of purified salts, and for the disposal of the fission products contained in waste salt during pyroprocessing. As an alternative to existing fission product separation methods, the horizontal zone refining process is used in this study for the purification of waste salt. In order to evaluate the purification ability of the process, three-dimensional simulation is conducted, considering heat transfer, melt flow, and mass transfer. Impurity distributions and decontamination factors are calculated as a function of the heater traverse rate, by applying a subroutine and the equilibrium segregation coefficient derived from the effective segregation coefficients. For multipass cases, 1d solutions and the effective segregation coefficient obtained from three-dimensional simulation are used. In the present study, the topic is not dealing with crystal growth, but the numerical technique used is nearly the same since the zone refining technique was just introduced in the treatment of waste salt from nuclear power industry because of its merit of simplicity and refining ability. So this study can show a new application of single crystal growth techniques to other fields, by taking advantage of the zone refining multipass possibility. The final goal is to achieve the same high degree of decontamination in the waste salt as in zone freezing (or reverse Bridgman) method.

  13. Comparing Refinements for Failure and Bisimulation Semantics

    NARCIS (Netherlands)

    Eshuis, H.; Fokkinga, M.M.

    2002-01-01

    Refinement in bisimulation semantics is defined differently from refinement in failure semantics: in bisimulation semantics refinement is based on simulations between labelled transition systems, whereas in failure semantics refinement is based on inclusions between failure systems. There exist

  14. Commercial refining in the Mediterranean

    International Nuclear Information System (INIS)

    Packer, P.

    1999-01-01

    About 9% of the world's oil refining capacity is on the Mediterranean: some of the world's biggest and most advanced refineries are on Sicily and Sardinia. The Mediterranean refineries are important suppliers to southern Europe and N. Africa. The article discusses commercial refining in the Mediterranean under the headings of (i) historic development, (ii) product demand, (iii) refinery configurations, (iv) refined product trade, (v) financial performance and (vi) future outlook. Although some difficulties are foreseen, refining in the Mediterranean is likely to continue to be important well into the 21st century. (UK)

  15. Structure refinement of polycrystalline orthorhombic yttrium ...

    Indian Academy of Sciences (India)

    The perovskite ceramic phases with composition Ca1−YTiO3+ (where = 0.1, 0.2 and 0.3; hereafter CYT-10, CYT-20 and CYT-30) have been synthesized by solid state reaction at 1050°C. The structure refinement using general structure analysis system (GSAS) software converges to satisfactory profile indicators ...

  16. Refining processes of selected copper alloys

    Directory of Open Access Journals (Sweden)

    S. Rzadkosz

    2009-04-01

    Full Text Available The analysis of the refining effectiveness of the liquid copper and selected copper alloys by various micro additions and special refiningsubstances – was performed. Examinations of an influence of purifying, modifying and deoxidation operations performed in a metal bath on the properties of certain selected alloys based on copper matrix - were made. Refining substances, protecting-purifying slag, deoxidation and modifying substances containing micro additions of such elements as: zirconium, boron, phosphor, sodium, lithium, or their compounds introduced in order to change micro structures and properties of alloys, were applied in examinations. A special attention was directed to macro and micro structures of alloys, their tensile and elongation strength and hot-cracks sensitivity. Refining effects were estimated by comparing the effectiveness of micro structure changes with property changes of copper and its selected alloys from the group of tin bronzes.

  17. Crystal structure refinement, dielectric and magnetic properties of Ca/Pb substituted SrFe{sub 12}O{sub 19} hexaferrites

    Energy Technology Data Exchange (ETDEWEB)

    Hooda, Ashima [Department of Physics, Deenbandhu Chhotu Ram University of Science and Technology, Murthal 131039, Haryana (India); Sanghi, Sujata, E-mail: sutkash@yahoo.com [Department of Applied Physics, Guru Jambheshwar University of Science and Technology, Hisar 125001, Haryana (India); Agarwal, Ashish [Department of Applied Physics, Guru Jambheshwar University of Science and Technology, Hisar 125001, Haryana (India); Dahiya, Reetu [Department of Physics, Hindu Girls College, Sonepat 131001, Haryana (India)

    2015-08-01

    SrFe{sub 12}O{sub 19} (SFO), Sr{sub 0.5}Ca{sub 0.5}Fe{sub 12}O{sub 19} (SCFO) and Sr{sub 0.5}Pb{sub 0.5}Fe{sub 12}O{sub 19} (SPFO) hexaferrites have been synthesized by a conventional solid state reaction technique. Powder X-ray diffraction and Rietveld refinement confirm the presence of M-type hexagonal phase in prepared samples. However in SCFO, secondary phase was also present with main phase. Analysis of Nyquist's plots of SFO hexaferrite revealed the contribution of many electrically active regions corresponding to bulk mechanism, distribution of grain boundaries and electrode processes also. Both conductivity and electric modulus formalisms have been employed to study the relaxation dynamics of charge carriers. A perfect overlapping of the normalized plots of modulus isotherms on a single ‘super curve’ for all the studied temperatures reveals a temperature independence of dynamic processes involved in conduction and for relaxation. In SPFO sample coercivity is reduced effectively but accompanied with increase in magnetization, which is requirement for hexaferrites to be used as magnetic recording media. - Highlights: • Samples have hexagonal phase with space group P6{sub 3}/mmc. • SPFO hexaferrite may be used for microwave devices. • SPFO hexaferrite may be used for magnetic recording media.

  18. Quantitative multiphase analysis of archaeological bronzes by neutron diffraction

    CERN Document Server

    Siano, S; Celli, M; Pini, R; Salimbeni, R; Zoppi, M; Kockelmann, W A; Iozzo, M; Miccio, M; Moze, O

    2002-01-01

    In this paper, we report the first investigation on the potentials of neutron diffraction to characterize archaeological bronze artifacts. The preliminary feasibility of phase and structural analysis was demonstrated on standardised specimens with a typical bronze alloy composition. These were realised through different hardening and annealing cycles, simulating possible ancient working techniques. The Bragg peak widths that resulted were strictly dependent on the working treatment, thus providing an important analytical element to investigate ancient making techniques. The diagnostic criteria developed on the standardised specimens were then applied to study two Etruscan museum pieces. Quantitative multiphase analysis by Rietveld refinement of the diffraction patterns was successfully demonstrated. Furthermore, the analysis of patterns associated with different artifact elements also yielded evidence for some peculiar perspective of the neutron diffraction diagnostics in archeometric applications. (orig.)

  19. On Modal Refinement and Consistency

    DEFF Research Database (Denmark)

    Nyman, Ulrik; Larsen, Kim Guldstrand; Wasowski, Andrzej

    2007-01-01

    Almost 20 years after the original conception, we revisit several fundamental question about modal transition systems. First, we demonstrate the incompleteness of the standard modal refinement using a counterexample due to Hüttel. Deciding any refinement, complete with respect to the standard...

  20. Crystal structure refinement with SHELXL

    Energy Technology Data Exchange (ETDEWEB)

    Sheldrick, George M., E-mail: gsheldr@shelx.uni-ac.gwdg.de [Department of Structural Chemistry, Georg-August Universität Göttingen, Tammannstraße 4, Göttingen 37077 (Germany)

    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.

  1. Synthesis of Zr-Si-O-N phases by carbonitriding reaction. Characterization of crystalline phases using the Rietveld method

    Directory of Open Access Journals (Sweden)

    Mazzoni A.D.

    2001-01-01

    Full Text Available Zirconium compounds are of great interest for ceramic application due to their excellent thermal and mechanical properties. Zirconium phases of the system Zr-O-C-N were obtained using carbonitriding reactions of zircon mineral (ZrO2.SiO2, under different reaction conditions. The reaction products were studied by X-ray diffraction (XRD using the Rietveld method. Silicon was employed as internal standard. Zirconium compounds formed were m-ZrO2 (monoclinic, beta"-zirconium oxynitride and a cubic Zr(C,N,O phase whose lattice parameter a o depends on the composition. The crystallite sizes of the three zirconium phases were determined also by XRD. The minority phases present are the ones of the Si-O-N-C system. The reaction conditions employed allows to obtain reaction products with low or without silicon content.

  2. Refinement of the concept of uncertainty.

    Science.gov (United States)

    Penrod, J

    2001-04-01

    To analyse the conceptual maturity of uncertainty; to develop an expanded theoretical definition of uncertainty; to advance the concept using methods of concept refinement; and to analyse congruency with the conceptualization of uncertainty presented in the theory of hope, enduring, and suffering. Uncertainty is of concern in nursing as people experience complex life events surrounding health. In an earlier nursing study that linked the concepts of hope, enduring, and suffering into a single theoretical scheme, a state best described as 'uncertainty' arose. This study was undertaken to explore how this conceptualization fit with the scientific literature on uncertainty and to refine the concept. Initially, a concept analysis using advanced methods described by Morse, Hupcey, Mitcham and colleagues was completed. The concept was determined to be partially mature. A theoretical definition was derived and techniques of concept refinement using the literature as data were applied. The refined concept was found to be congruent with the concept of uncertainty that had emerged in the model of hope, enduring and suffering. Further investigation is needed to explore the extent of probabilistic reasoning and the effects of confidence and control on feelings of uncertainty and certainty.

  3. South Korea - oil refining overview

    International Nuclear Information System (INIS)

    Hayes, D.

    1999-01-01

    Following the economic problems of the 1990s, the petroleum refining industry of South Korea underwent much involuntary restructuring in 1999 with respect to takeovers and mergers and these are discussed. The demand for petroleum has now pretty well recovered. The reasons for fluctuating prices in the 1990s, how the new structure should be cushioned against changes in the future, and the potential for South Korea to export refined petroleum, are all discussed

  4. Adaptive Mesh Refinement in CTH

    International Nuclear Information System (INIS)

    Crawford, David

    1999-01-01

    This paper reports progress on implementing a new capability of adaptive mesh refinement into the Eulerian multimaterial shock- physics code CTH. The adaptivity is block-based with refinement and unrefinement occurring in an isotropic 2:1 manner. The code is designed to run on serial, multiprocessor and massive parallel platforms. An approximate factor of three in memory and performance improvements over comparable resolution non-adaptive calculations has-been demonstrated for a number of problems

  5. Refinement of Parallel and Reactive Programs

    OpenAIRE

    Back, R. J. R.

    1992-01-01

    We show how to apply the refinement calculus to stepwise refinement of parallel and reactive programs. We use action systems as our basic program model. Action systems are sequential programs which can be implemented in a parallel fashion. Hence refinement calculus methods, originally developed for sequential programs, carry over to the derivation of parallel programs. Refinement of reactive programs is handled by data refinement techniques originally developed for the sequential refinement c...

  6. Segmental Refinement: A Multigrid Technique for Data Locality

    KAUST Repository

    Adams, Mark F.; Brown, Jed; Knepley, Matt; Samtaney, Ravi

    2016-01-01

    We investigate a domain decomposed multigrid technique, termed segmental refinement, for solving general nonlinear elliptic boundary value problems. We extend the method first proposed in 1994 by analytically and experimentally investigating its complexity. We confirm that communication of traditional parallel multigrid is eliminated on fine grids, with modest amounts of extra work and storage, while maintaining the asymptotic exactness of full multigrid. We observe an accuracy dependence on the segmental refinement subdomain size, which was not considered in the original analysis. We present a communication complexity analysis that quantifies the communication costs ameliorated by segmental refinement and report performance results with up to 64K cores on a Cray XC30.

  7. Segmental Refinement: A Multigrid Technique for Data Locality

    KAUST Repository

    Adams, Mark F.

    2016-08-04

    We investigate a domain decomposed multigrid technique, termed segmental refinement, for solving general nonlinear elliptic boundary value problems. We extend the method first proposed in 1994 by analytically and experimentally investigating its complexity. We confirm that communication of traditional parallel multigrid is eliminated on fine grids, with modest amounts of extra work and storage, while maintaining the asymptotic exactness of full multigrid. We observe an accuracy dependence on the segmental refinement subdomain size, which was not considered in the original analysis. We present a communication complexity analysis that quantifies the communication costs ameliorated by segmental refinement and report performance results with up to 64K cores on a Cray XC30.

  8. Crystal structure refinement and microwave dielectric properties of new low dielectric loss AZrNb2O8 (A: Mn, Zn, Mg and Co) ceramics

    International Nuclear Information System (INIS)

    Ramarao, S.D.; Murthy, V.R.K.

    2013-01-01

    Graphical abstract: -- The effects of substituting different cations (Mn, Zn, Mg and Co) at the A-site of AZrNb 2 O 8 compounds on structural parameters such as packing fraction and B-site octahedral distortion were studied using X-ray powder diffraction in conjunction with Rietveld refinement. Variations in the dielectric constant (ε r ) were explained by the ionic polarizability of the compositions. The quality factor (Q × f) and temperature coefficient of resonant frequency (τ f ) were correlated with the packing fraction and B-site octahedral distortions (δ) in these compositions, respectively

  9. Romanian refining industry assesses restructuring

    International Nuclear Information System (INIS)

    Tanasescu, D.G.

    1991-01-01

    The Romanian crude oil refining industry, as all the other economic sectors, faces the problems accompanying the transition from a centrally planned economy to a market economy. At present, all refineries have registered as joint-stock companies and all are coordinated and assisted by Rafirom S.A., from both a legal and a production point of view. Rafirom S.A. is a joint-stock company that holds shares in refineries and other stock companies with activities related to oil refining. Such activities include technological research, development, design, transportation, storage, and domestic and foreign marketing. This article outlines the market forces that are expected to: drive rationalization and restructuring of refining operations and define the targets toward which the reconfigured refineries should strive

  10. Data refinement for true concurrency

    Directory of Open Access Journals (Sweden)

    Brijesh Dongol

    2013-05-01

    Full Text Available The majority of modern systems exhibit sophisticated concurrent behaviour, where several system components modify and observe the system state with fine-grained atomicity. Many systems (e.g., multi-core processors, real-time controllers also exhibit truly concurrent behaviour, where multiple events can occur simultaneously. This paper presents data refinement defined in terms of an interval-based framework, which includes high-level operators that capture non-deterministic expression evaluation. By modifying the type of an interval, our theory may be specialised to cover data refinement of both discrete and continuous systems. We present an interval-based encoding of forward simulation, then prove that our forward simulation rule is sound with respect to our data refinement definition. A number of rules for decomposing forward simulation proofs over both sequential and parallel composition are developed.

  11. Bauxite Mining and Alumina Refining

    Science.gov (United States)

    Frisch, Neale; Olney, David

    2014-01-01

    Objective: To describe bauxite mining and alumina refining processes and to outline the relevant physical, chemical, biological, ergonomic, and psychosocial health risks. Methods: Review article. Results: The most important risks relate to noise, ergonomics, trauma, and caustic soda splashes of the skin/eyes. Other risks of note relate to fatigue, heat, and solar ultraviolet and for some operations tropical diseases, venomous/dangerous animals, and remote locations. Exposures to bauxite dust, alumina dust, and caustic mist in contemporary best-practice bauxite mining and alumina refining operations have not been demonstrated to be associated with clinically significant decrements in lung function. Exposures to bauxite dust and alumina dust at such operations are also not associated with the incidence of cancer. Conclusions: A range of occupational health risks in bauxite mining and alumina refining require the maintenance of effective control measures. PMID:24806720

  12. Refining Nodes and Edges of State Machines

    DEFF Research Database (Denmark)

    Hallerstede, Stefan; Snook, Colin

    2011-01-01

    State machines are hierarchical automata that are widely used to structure complex behavioural specifications. We develop two notions of refinement of state machines, node refinement and edge refinement. We compare the two notions by means of examples and argue that, by adopting simple conventions...... refinement theory and UML-B state machine refinement influences the style of node refinement. Hence we propose a method with direct proof of state machine refinement avoiding the detour via Event-B that is needed by UML-B....

  13. Process for refining shale bitumen

    Energy Technology Data Exchange (ETDEWEB)

    Plauson, H

    1920-09-19

    A process is disclosed for refining shale bitumen for use as heavy mineral oil, characterized by mixtures of blown hard shale pitch and heavy mineral oil being blown with hot air at temperatures of 120 to 150/sup 0/ with 1 to 3 percent sulfur, and if necessary with 0.5 to 3 percent of an aldehyde.

  14. Panorama 2007: Refining and Petrochemicals

    International Nuclear Information System (INIS)

    Silva, C.

    2007-01-01

    The year 2005 saw a new improvement in refining margins that continued during the first three quarters of 2006. The restoration of margins in the last three years has allowed the refining sector to regain its profitability. In this context, the oil companies reported earnings for fiscal year 2005 that were up significantly compared to 2004, and the figures for the first half-year 2006 confirm this trend. Despite this favorable business environment, investments only saw a minimal increase in 2005 and the improvement expected for 2006 should remain fairly limited. Looking to 2010-2015, it would appear that the planned investment projects with the highest probability of reaching completion will be barely adequate to cover the increase in demand. Refining sector should continue to find itself under pressure. As for petrochemicals, despite a steady up-trend in the naphtha price, the restoration of margins consolidated a comeback that started in 2005. All in all, capital expenditure remained fairly low in both the refining and petrochemicals sectors, but many projects are planned for the next ten years. (author)

  15. Multigrid for refined triangle meshes

    Energy Technology Data Exchange (ETDEWEB)

    Shapira, Yair

    1997-02-01

    A two-level preconditioning method for the solution of (locally) refined finite element schemes using triangle meshes is introduced. In the isotropic SPD case, it is shown that the condition number of the preconditioned stiffness matrix is bounded uniformly for all sufficiently regular triangulations. This is also verified numerically for an isotropic diffusion problem with highly discontinuous coefficients.

  16. Assessment of firing conditions in old fired-clay bricks. The contribution of X-ray powder diffraction with the Rietveld method and small angle neutron scattering

    Czech Academy of Sciences Publication Activity Database

    Viani, Alberto; Sotiriadis, Konstantinos; Len, A.; Šašek, Petr; Ševčík, Radek

    2016-01-01

    Roč. 116, June (2016), s. 33-43 ISSN 1044-5803 R&D Projects: GA MŠk(CZ) LO1219 Keywords : fired- clay brick * Rietveld method * small angle neutron scattering * X-ray diffraction * firing temperature Subject RIV: AL - Art, Architecture, Cultural Heritage Impact factor: 2.714, year: 2016 http://www.sciencedirect.com/science/article/pii/S1044580316300870

  17. English-Chinese oil refining dictionary. [English-Chinese

    Energy Technology Data Exchange (ETDEWEB)

    Chou, P; Zing, Z [eds.

    1979-01-01

    The dictionary is a collection of many disciplines but specialized in the terminology related to petroleum refining. It contains terms in areas such as refining, factory equipment and installation, petroleum products and test analysis, and instrument automation. It also contains terms in areas of petrochemistry, oil storage and transport, computer technology, and environmental protection. The total number of terms collected was approximately 53,000.

  18. Uranium refining by solvent extraction

    International Nuclear Information System (INIS)

    Kraikaew, J.

    1996-01-01

    The yellow cake refining was studied in both laboratory and semi-pilot scales. The process units mainly consist of dissolution and filtration, solvent extraction, and precipitation and filtration. Effect of flow ratio (organic flow rate/ aqueous flow rate) on working efficiencies of solvent extraction process was studied. Detailed studies were carried out on extraction, scrubbing and stripping processes. Purity of yellow cake product obtained is high as 90.32% U 3 O 8

  19. Process for refining naphthalene, etc

    Energy Technology Data Exchange (ETDEWEB)

    Petroff, G

    1922-05-13

    A process is described for the refining of naphthalene, its distillates, and mineral oils by the use of dilute sulfuric acid, characterized in that the oils are oxidized with oxygen of the air and thereafter are treated with 65 to 75 percent sulfuric acid to separate the unsaturated hydrocarbons in the form of polymerized products whereby, if necessary, heating and application of usual or higher pressure can take place.

  20. Preparation of refined oils, etc

    Energy Technology Data Exchange (ETDEWEB)

    1931-02-03

    A process is disclosed for the preparation of refined sulfur-containing oils from sulfur-containing crude oils obtained by distillation of bituminous limestone, characterized by this crude oil being first subjected to a purification by distillation with steam in the known way, then treated with lime and chloride of lime and distilled preferably in the presence of zinc powder, whereby in this purification a rectification can be added for the purpose of recovering definite fractions.

  1. Bauxite Mining and Alumina Refining

    OpenAIRE

    Donoghue, A. Michael; Frisch, Neale; Olney, David

    2014-01-01

    Objective: To describe bauxite mining and alumina refining processes and to outline the relevant physical, chemical, biological, ergonomic, and psychosocial health risks. Methods: Review article. Results: The most important risks relate to noise, ergonomics, trauma, and caustic soda splashes of the skin/eyes. Other risks of note relate to fatigue, heat, and solar ultraviolet and for some operations tropical diseases, venomous/dangerous animals, and remote locations. Exposures to bauxite dust,...

  2. Structural analysis and martensitic transformation in equiatomic HfPd alloy

    Science.gov (United States)

    Hisada, S.; Matsuda, M.; Takashima, K.; Yamabe-Mitarai, Y.

    2018-02-01

    We investigated the crystal structure and the martensitic transformation in equiatomic HfPd alloy. The analysis of the crystal structure by electron diffraction and Rietveld refinement using X-ray diffraction data indicates that the space group of the martensitic phase is Cmcm, and the lattice parameters are a = 0.329 nm, b = 1.021 nm, and c = 0.438 nm. Martensitic variants are composed of the plate-like morphology of several hundred nm, and the boundaries between the variants have (021)Cmcm twin relations. This (021)Cmcm twin boundary seems to be sharp without ledge and steps. Differential scanning calorimetry measurement indicates that each martensitic transformation temperature is determined to be Ms = 819 K, Mf = 794 K, As = 928 K, and Af = 954 K. Based on the dimension change using a thermo-mechanical analyzer, the expansion and shrinkage of the sample occurred with the forward and reverse martensitic transformation, respectively.

  3. Analysis of crystallite size and microdeformation crystal lattice the tungsten carbide milling in mill high energy

    International Nuclear Information System (INIS)

    Silva, F.T. da; Nunes, M.A.M.; Souza, C.P. de; Gomes, U.U.

    2010-01-01

    The tungsten carbide (WC) has wide application due to its properties like high melting point, high hardness, wear resistance, oxidation resistance and good electrical conductivity. The microstructural characteristics of the starting powders influences the final properties of the carbide. In this context, the use of nanoparticle powders is an efficient way to improve the final properties of the WC. The high energy milling stands out from other processes to obtain nanometric powders due to constant microstructural changes caused by this process. Therefore, the objective is to undertake an analysis of microstructural characteristics on the crystallite size and microdeformations of the crystal lattice using the technique of X-ray diffraction (XRD) using the Rietveld refinement. The results show an efficiency of the milling process to reduce the crystallite size, leading to a significant deformation in the crystal lattice of WC from 5h milling. (author)

  4. The Charfuel coal refining process

    International Nuclear Information System (INIS)

    Meyer, L.G.

    1991-01-01

    The patented Charfuel coal refining process employs fluidized hydrocracking to produce char and liquid products from virtually all types of volatile-containing coals, including low rank coal and lignite. It is not gasification or liquefaction which require the addition of expensive oxygen or hydrogen or the use of extreme heat or pressure. It is not the German pyrolysis process that merely 'cooks' the coal, producing coke and tar-like liquids. Rather, the Charfuel coal refining process involves thermal hydrocracking which results in the rearrangement of hydrogen within the coal molecule to produce a slate of co-products. In the Charfuel process, pulverized coal is rapidly heated in a reducing atmosphere in the presence of internally generated process hydrogen. This hydrogen rearrangement allows refinement of various ranks of coals to produce a pipeline transportable, slurry-type, environmentally clean boiler fuel and a slate of value-added traditional fuel and chemical feedstock co-products. Using coal and oxygen as the only feedstocks, the Charfuel hydrocracking technology economically removes much of the fuel nitrogen, sulfur, and potential air toxics (such as chlorine, mercury, beryllium, etc.) from the coal, resulting in a high heating value, clean burning fuel which can increase power plant efficiency while reducing operating costs. The paper describes the process, its thermal efficiency, its use in power plants, its pipeline transport, co-products, environmental and energy benefits, and economics

  5. A Macdonald refined topological vertex

    Science.gov (United States)

    Foda, Omar; Wu, Jian-Feng

    2017-07-01

    We consider the refined topological vertex of Iqbal et al (2009 J. High Energy Phys. JHEP10(2009)069), as a function of two parameters ≤ft\\lgroup x, y \\right\\rgroup , and deform it by introducing the Macdonald parameters ≤ft\\lgroup q, t \\right\\rgroup , as in the work of Vuletić on plane partitions (Vuletić M 2009 Trans. Am. Math. Soc. 361 2789-804), to obtain ‘a Macdonald refined topological vertex’. In the limit q → t , we recover the refined topological vertex of Iqbal et al and in the limit x → y , we obtain a qt-deformation of the original topological vertex of Aganagic et al (2005 Commun. Math. Phys. 25 425-78). Copies of the vertex can be glued to obtain qt-deformed 5D instanton partition functions that have well-defined 4D limits and, for generic values of ≤ft\\lgroup q, t\\right\\rgroup , contain infinite-towers of poles for every pole present in the limit q → t .

  6. Refining's-clean new jingle

    International Nuclear Information System (INIS)

    Anon.

    1992-01-01

    This paper reports that at a time when profit margins are slim and gasoline demand is down, the U.S. petroleum-refining industry is facing one of its greatest challenges; How to meet new federal and state laws for reformulated gasoline, oxygenated fuels, low-sulfur diesel and other measures to improve the environment. The American Petroleum Institute (API) estimates that industry will spend between $15 and $23 billion by the end of the decade to meet the U.S. Clean Air Act Amendments (CAAA) of 1990, and other legislation. ENSR Consulting and Engineering's capital-spending figure runs to between $70 and 100 billion this decade, including $24 billion to produce reformulated fuels and $10-12 billion to reduce refinery emissions. M.W. Kellogg Co. estimates that refiners may have to spend up to $30 billion this decade to meet the demand for reformulated gasoline. The estimates are wide-ranging because refiners are still studying their options and delaying final decisions as long as they can, to try to ensure they are the best and least-costly decisions. Oxygenated fuels will be required next winter, but federal regulations for reformulated gasoline won't go into effect until 1995, while California's tougher reformulated-fuels law will kick in the following year

  7. Southeast Asian oil markets and refining

    Energy Technology Data Exchange (ETDEWEB)

    Yamaguchi, N.D. [FACTS, Inc., Honolulu, Hawaii (United States)

    1999-09-01

    An overview of the Southeast Asian oil markets and refining is presented concentrating on Brunei, Malaysia, the Philippines, Singapore and Thailand refiners. Key statistics of the refiners in this region are tabulated. The demand and the quality of Indonesian, Malaysian, Philippine, Singapore and Thai petroleum products are analysed. Crude distillation unit capacity trends in the Southeastern Asian refining industry are discussed along with cracking to distillation ratios, refining in these countries, and the impact of changes in demand and refining on the product trade.

  8. Southeast Asian oil markets and refining

    International Nuclear Information System (INIS)

    Yamaguchi, N.D.

    1999-01-01

    An overview of the Southeast Asian oil markets and refining is presented concentrating on Brunei, Malaysia, the Philippines, Singapore and Thailand refiners. Key statistics of the refiners in this region are tabulated. The demand and the quality of Indonesian, Malaysian, Philippine, Singapore and Thai petroleum products are analysed. Crude distillation unit capacity trends in the Southeastern Asian refining industry are discussed along with cracking to distillation ratios, refining in these countries, and the impact of changes in demand and refining on the product trade

  9. Analysis of neutron diffraction spectra acquired in situ during stress-induced transformations in superelastic NiTi

    International Nuclear Information System (INIS)

    Vaidyanathan, R.; Bourke, M.A.; Dunand, D.C.

    1999-01-01

    Neutron diffraction spectra were obtained during various stages of a reversible stress-induced austenite to martensite phase transformation in superelastic NiTi. This was accomplished by neutron diffraction measurements on bulk polycrystalline NiTi samples simultaneously subjected to mechanical loading. Analysis of the data was carried out using individual lattice plane (hkl) reflections as well as by Rietveld refinement. In the Rietveld procedure, strains in austenite were described in terms of an isotropic (hkl independent) and an anisotropic (hkl dependent) component. At higher stresses, austenite lattice plane reflections exhibited nonlinear and dissimilar elastic responses which may be attributed to the transformation. The texture evolution is significant in both austenite and martensite phases during the transformation and two approaches were used to describe this evolving texture, i.e., an ellipsoidal model due to March - Dollase and a generalized spherical-harmonic approach. The respective predictions of the phase fraction evolution as a function of applied stress were compared. A methodology is thus established to quantify the discrete phase strains, phase volume fractions, and texture during such transformations. copyright 1999 American Institute of Physics

  10. Biomolecular structure refinement using the GROMOS simulation software

    International Nuclear Information System (INIS)

    Schmid, Nathan; Allison, Jane R.; Dolenc, Jožica; Eichenberger, Andreas P.; Kunz, Anna-Pitschna E.; Gunsteren, Wilfred F. van

    2011-01-01

    For the understanding of cellular processes the molecular structure of biomolecules has to be accurately determined. Initial models can be significantly improved by structure refinement techniques. Here, we present the refinement methods and analysis techniques implemented in the GROMOS software for biomolecular simulation. The methodology and some implementation details of the computation of NMR NOE data, 3 J-couplings and residual dipolar couplings, X-ray scattering intensities from crystals and solutions and neutron scattering intensities used in GROMOS is described and refinement strategies and concepts are discussed using example applications. The GROMOS software allows structure refinement combining different types of experimental data with different types of restraining functions, while using a variety of methods to enhance conformational searching and sampling and the thermodynamically calibrated GROMOS force field for biomolecular simulation.

  11. Biomolecular structure refinement using the GROMOS simulation software

    Energy Technology Data Exchange (ETDEWEB)

    Schmid, Nathan; Allison, Jane R.; Dolenc, Jozica; Eichenberger, Andreas P.; Kunz, Anna-Pitschna E.; Gunsteren, Wilfred F. van, E-mail: wfvgn@igc.phys.chem.ethz.ch [Swiss Federal Institute of Technology ETH, Laboratory of Physical Chemistry (Switzerland)

    2011-11-15

    For the understanding of cellular processes the molecular structure of biomolecules has to be accurately determined. Initial models can be significantly improved by structure refinement techniques. Here, we present the refinement methods and analysis techniques implemented in the GROMOS software for biomolecular simulation. The methodology and some implementation details of the computation of NMR NOE data, {sup 3}J-couplings and residual dipolar couplings, X-ray scattering intensities from crystals and solutions and neutron scattering intensities used in GROMOS is described and refinement strategies and concepts are discussed using example applications. The GROMOS software allows structure refinement combining different types of experimental data with different types of restraining functions, while using a variety of methods to enhance conformational searching and sampling and the thermodynamically calibrated GROMOS force field for biomolecular simulation.

  12. Quantitative study of Portland cement hydration by X-Ray diffraction/Rietveld analysis and geochemical modeling

    Science.gov (United States)

    Coutelot, F.; Seaman, J. C.; Simner, S.

    2017-12-01

    In this study the hydration of Portland cements containing blast-furnace slag and type V fly ash were investigated during cement curing using X-ray diffraction, with geochemical modeling used to calculate the total volume of hydrates. The goal was to evaluate the relationship between the starting component levels and the hydrate assemblages that develop during the curing process. Blast furnace-slag levels of 60, 45 and 30 wt.% were studied in blends containing fly ash and Portland cement. Geochemical modelling described the dissolution of the clinker, and predicted quantitatively the amount of hydrates. In all cases the experiments showed the presence of C-S-H, portlandite and ettringite. The quantities of ettringite, portlandite and the amorphous phases as determined by XRD agreed well with the calculated amounts of these phases after different periods of time. These findings show that changes in the bulk composition of hydrating cements can be described by geochemical models. Such a comparison between experimental and modelled data helps to understand in more detail the active processes occurring during cement hydration.

  13. Latin American oil markets and refining

    International Nuclear Information System (INIS)

    Yamaguchi, N.D.; Obadia, C.

    1999-01-01

    This paper provides an overview of the oil markets and refining in Argentina, Brazil, Chile, Colombia, Ecuador, Mexico, Peru and Venezuela, and examines the production of crude oil in these countries. Details are given of Latin American refiners highlighting trends in crude distillation unit capacity, cracking to distillation ratios, and refining in the different countries. Latin American oil trade is discussed, and charts are presented illustrating crude production, oil consumption, crude refining capacity, cracking to distillation ratios, and oil imports and exports

  14. Grain refinement of aluminum and its alloys

    International Nuclear Information System (INIS)

    Zaid, A.I.O.

    2001-01-01

    Grain refinement of aluminum and its alloys by the binary Al-Ti and Ternary Al-Ti-B master alloys is reviewed and discussed. The importance of grain refining to the cast industry and the parameters affecting it are presented and discussed. These include parameters related to the cast, parameters related to the grain refining alloy and parameters related to the process. The different mechanisms, suggested in the literature for the process of grain refining are presented and discussed, from which it is found that although the mechanism of refining by the binary Al-Ti is well established the mechanism of grain refining by the ternary Al-Ti-B is still a controversial matter and some research work is still needed in this area. The effect of the addition of other alloying elements in the presence of the grain refiner on the grain refining efficiency is also reviewed and discussed. It is found that some elements e.g. V, Mo, C improves the grain refining efficiency, whereas other elements e.g. Cr, Zr, Ta poisons the grain refinement. Based on the parameters affecting the grain refinement and its mechanism, a criterion for selection of the optimum grain refiner is forwarded and discussed. (author)

  15. Neutron Powder Diffraction and Constrained Refinement

    DEFF Research Database (Denmark)

    Pawley, G. S.; Mackenzie, Gordon A.; Dietrich, O. W.

    1977-01-01

    The first use of a new program, EDINP, is reported. This program allows the constrained refinement of molecules in a crystal structure with neutron diffraction powder data. The structures of p-C6F4Br2 and p-C6F4I2 are determined by packing considerations and then refined with EDINP. Refinement is...

  16. Refining a measure of brain injury sequelae to predict postacute rehabilitation outcome: rating scale analysis of the Mayo-Portland Adaptability Inventory.

    Science.gov (United States)

    Malec, J F; Moessner, A M; Kragness, M; Lezak, M D

    2000-02-01

    Evaluate the psychometric properties of the Mayo-Portland Adaptability Inventory (MPAI). Rating scale (Rasch) analysis of MPAI and principal component analysis of residuals; the predictive validity of the MPAI measures and raw scores was assessed in a sample from a day rehabilitation program. Outpatient brain injury rehabilitation. 305 persons with brain injury. A 22-item scale reflecting severity of sequelae of brain injury that contained a mix of indicators of impairment, activity, and participation was identified. Scores and measures for MPAI scales were strongly correlated and their predictive validities were comparable. Impairment, activity, and participation define a single dimension of brain injury sequelae. The MPAI shows promise as a measure of this construct.

  17. Asian oil refining. Demand growth and deregulation - an uncertain future

    International Nuclear Information System (INIS)

    Sameer Nawaz.

    1996-01-01

    The objective of the report is to identify the most important features of the oil refining industry in Asia. Major developments in consumption patterns changes in regional importance of countries are discussed, highlighting potential future developments. The first chapter introduces the various refining processes and presents a simple model for the analysis of complex refineries. Chapter 2 examines the development of the Asian refining industry against a background of economic growth and analyses trends in consumption of all products in Asian countries. In Chapter 3, the key issues concerning the refining industry are examined, among them the forces driving consumption, including the importance of economic development, and electricity and transport demand. The importance of product imports and international trade is discussed, and the extent of government involvement and the effects of changing retail and market prices are analysed. Chapter 4 looks at the strategies that oil and gas companies are following in the Asian refining industry. Particular significance is attached to the vertical integration of the oil majors, Japanese and Middle Eastern oil companies. A brief overview of the importance of the petrochemical industry is presented. The countries of Asia that are involved in the refining industry are profiled in Chapter 5. The future trend in oil consumption is examined in Chapter 6. There follows a brief discussion of the plans to expand crude refining capacity in the various countries and a forecast of the state of overcapacity which will result. In the final chapter, brief profiles of some of the most important companies in the Asian refining industry are presented, discussing their major activities and future plans. (Author)

  18. Niobium-base grain refiner for aluminium

    International Nuclear Information System (INIS)

    Silva Pontes, P. da; Robert, M.H.; Cupini, N.L.

    1980-01-01

    A new chemical grain refiner for aluminium has been developed, using inoculation of a niobium-base compound. When a bath of molten aluminium is inoculated whith this refiner, an intermetallic aluminium-niobium compound is formed which acts as a powerful nucleant, producing extremely fine structure comparable to those obtained by means of the traditional grain refiner based on titanium and boron. It was found that the refinement of the structure depends upon the weight percentage of the new refiner inoculated as well as the time of holding the bath after inoculation and before pouring, but mainly on the inoculating temperature. (Author) [pt

  19. Refinement of RAIM via Implementation of Implicit Euler Method

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Yoonhee; Kim, Han-Chul [Korea Institute of Nuclear and Safety, Daejeon (Korea, Republic of)

    2016-10-15

    The first approach is a mechanistic approach which is used in LIRIC in which more than 200 reactions are modeled in detail. This approach enables to perform the detailed analysis. However, it requires huge computation burden. The other approach is a simplified model approach which is used in the IMOD, ASTEC/IODE, and etc. Recently, KINS has developed RAIM (Radio-Active Iodine chemistry Model) based on the simplified model approach. Since the numerical analysis module in RAIM is based on the explicit Euler method, there are major issues on the stability of the module. Therefore, implementation of a stable numerical method becomes essential. In this study, RAIM is refined via implementation of implicit Euler method in which the Newton method is used to find the solutions at each time step. The refined RAIM is tested by comparing to RAIM based on the explicit Euler method. In this paper, RAIM was refined by implementing the implicit Euler method. At each time step of the method in the refined RAIM, the reaction kinetics equations are solved by the Newton method in which elements of the Jacobian matrix are expressed analytically. With the results of OECD-BIP P10T2 test, the refined RAIM was compared to RAIM with the explicit Euler method. The refined RAIM shows better agreement with the experimental data than those from the explicit Euler method. For the rapid change of pH during the experiment, the refined RAIM gives more realistic changes in the concentrations of chemical species than those from the explicit Euler method. In addition, in terms of computing time, the refined RAIM shows comparable computing time to that with explicit Euler method. These comparisons are attributed to ⁓10 times larger time step size used in the implicit Euler method, even though computation burden at each time step in the refined RAIM is much higher than that of the explicit Euler method. Compared to the experimental data, the refined RAIM still shows discrepancy, which are attributed

  20. Refinement of RAIM via Implementation of Implicit Euler Method

    International Nuclear Information System (INIS)

    Lee, Yoonhee; Kim, Han-Chul

    2016-01-01

    The first approach is a mechanistic approach which is used in LIRIC in which more than 200 reactions are modeled in detail. This approach enables to perform the detailed analysis. However, it requires huge computation burden. The other approach is a simplified model approach which is used in the IMOD, ASTEC/IODE, and etc. Recently, KINS has developed RAIM (Radio-Active Iodine chemistry Model) based on the simplified model approach. Since the numerical analysis module in RAIM is based on the explicit Euler method, there are major issues on the stability of the module. Therefore, implementation of a stable numerical method becomes essential. In this study, RAIM is refined via implementation of implicit Euler method in which the Newton method is used to find the solutions at each time step. The refined RAIM is tested by comparing to RAIM based on the explicit Euler method. In this paper, RAIM was refined by implementing the implicit Euler method. At each time step of the method in the refined RAIM, the reaction kinetics equations are solved by the Newton method in which elements of the Jacobian matrix are expressed analytically. With the results of OECD-BIP P10T2 test, the refined RAIM was compared to RAIM with the explicit Euler method. The refined RAIM shows better agreement with the experimental data than those from the explicit Euler method. For the rapid change of pH during the experiment, the refined RAIM gives more realistic changes in the concentrations of chemical species than those from the explicit Euler method. In addition, in terms of computing time, the refined RAIM shows comparable computing time to that with explicit Euler method. These comparisons are attributed to ⁓10 times larger time step size used in the implicit Euler method, even though computation burden at each time step in the refined RAIM is much higher than that of the explicit Euler method. Compared to the experimental data, the refined RAIM still shows discrepancy, which are attributed

  1. Structural refinement, band-gap analysis and optical properties of GdAlO3 nanophosphors influenced by Dy3+ ion concentrations for white light emitting device applications

    International Nuclear Information System (INIS)

    Jisha, P K; Naik, Ramachandra; Prashantha, S C; Nagaswarupa, H P; Nagabhushana, H; Basavaraj, R B; Sharma, S C; Prasad, Daruka

    2016-01-01

    Nanosized GdAlO 3 phosphors activated with Dy 3+ were prepared by a combustion method. Synthesized phosphors were calcined at 1000 °C for 3 h in order to achieve crystallinity. Powder x-ray diffraction (XRD), scanning electron microscope (SEM) and transmission electron microscope (TEM) analysis was used to characterize the prepared product. The orthorhombic phase was observed in the XRD pattern. The particle size of the samples was calculated as around 25 nm. The SEM images show an irregular shape of the prepared nanophosphor. Functional groups of the phosphors were examined by Fourier transform infrared (FTIR) spectroscopy. Photoluminescence (PL) properties of Dy 3+ doped GdAlO 3 for near-ultraviolet excitation (352 nm) were studied in order to investigate the possibility of its use in white light emitting device applications. Judd–Ofelt intensity parameters, radiative transition rate (A T ) and radiative lifetimes (τ rad ) were evaluated from the emission spectrum by adopting a standard procedure. The Commission International de l’Eclairage (CIE) color coordinates and correlated color temperature (CCT) are studied for the optimized phosphor. It is found that the color coordinates of Dy 3+ doped GdAlO 3 powders fall in the white region of the CIE diagram, and the average CCT value was found to be about 6276 K. Therefore, the present phosphor is highly useful for display applications. (paper)

  2. Materials refining on the Moon

    Science.gov (United States)

    Landis, Geoffrey A.

    2007-05-01

    Oxygen, metals, silicon, and glass are raw materials that will be required for long-term habitation and production of structural materials and solar arrays on the Moon. A process sequence is proposed for refining these materials from lunar regolith, consisting of separating the required materials from lunar rock with fluorine. The fluorine is brought to the Moon in the form of potassium fluoride, and is liberated from the salt by electrolysis in a eutectic salt melt. Tetrafluorosilane produced by this process is reduced to silicon by a plasma reduction stage; the fluorine salts are reduced to metals by reaction with metallic potassium. Fluorine is recovered from residual MgF and CaF2 by reaction with K2O.

  3. Adaptive mesh refinement in titanium

    Energy Technology Data Exchange (ETDEWEB)

    Colella, Phillip; Wen, Tong

    2005-01-21

    In this paper, we evaluate Titanium's usability as a high-level parallel programming language through a case study, where we implement a subset of Chombo's functionality in Titanium. Chombo is a software package applying the Adaptive Mesh Refinement methodology to numerical Partial Differential Equations at the production level. In Chombo, the library approach is used to parallel programming (C++ and Fortran, with MPI), whereas Titanium is a Java dialect designed for high-performance scientific computing. The performance of our implementation is studied and compared with that of Chombo in solving Poisson's equation based on two grid configurations from a real application. Also provided are the counts of lines of code from both sides.

  4. Refining shale-oil distillates

    Energy Technology Data Exchange (ETDEWEB)

    Altpeter, J

    1952-03-17

    A process is described for refining distillates from shale oil, brown coal, tar, and other tar products by extraction with selective solvents, such as lower alcohols, halogen-hydrins, dichlorodiethyl ether, liquid sulfur dioxide, and so forth, as well as treating with alkali solution, characterized in that the distillate is first treated with completely or almost completely recovered phenol or cresotate solution, the oil is separated from the phenolate with solvent, for example concentrated or adjusted to a determined water content of lower alcohol, furfural, halogen-hydrin, dichlorodiethyl ether, liquid sulfur dioxide, or the like, extracted, and the raffinate separated from the extract layer, if necessary after distillation or washing out of solvent, and freeing with alkali solution from residual phenol or creosol.

  5. Application of Al-2La-1B Grain Refiner to Al-10Si-0.3Mg Casting Alloy

    Science.gov (United States)

    Jing, Lijun; Pan, Ye; Lu, Tao; Li, Chenlin; Pi, Jinhong; Sheng, Ningyue

    2018-05-01

    This paper reports the application and microstructure refining effect of an Al-2La-1B grain refiner in Al-10Si-0.3Mg casting alloy. Compared with the traditional Al-5Ti-1B refiner, Al-2La-1B refiner shows better performances on the grain refinement of Al-10Si-0.3Mg alloy. Transmission electron microscopy analysis suggests that the crystallite structure features of LaB6 are beneficial to the heterogeneous nucleation of α-Al grains. Regarding the mechanical performances, tensile properties of Al-10Si-0.3Mg casting alloy are prominently improved, due to the refined microstructures.

  6. X-ray diffraction analysis of KY3F10 nanoparticles doped with Nd and preliminary studies for its use in high-dose radiation dosimetry

    International Nuclear Information System (INIS)

    Ichikawa, Rodrigo U.; Linhares, Horacio M.S.M.D.; Silva, Andre S.B. da; Teixeira, Maria I.; Ranieri, Izilda M.; Turrillas, Xavier; Martinez, G.

    2017-01-01

    In this work, the structure and microstructure of Nd:KY 3 F 10 nanoparticles was probed using X-ray synchrotron diffraction analysis. Rietveld refinement was applied to obtain cell parameters, atomic positions and atomic displacement factors to be compared with the ones found in literature. X-ray line profile methods were applied to determine mean crystallite size and crystallite size distribution. Thermoluminescent (TL) emission curves were measured for different radiation doses, from 0.10kGy up to 10.0kGy. Dose-response curves were obtained by area integration beneath the peaks from TL. The reproducibility of the results in this work has shown that this material can be considered a good dosimetric material. (author)

  7. X-ray diffraction analysis of KY3F10 nanoparticles doped with Nd and preliminary studies for its use in high-dose radiation dosimetry

    Energy Technology Data Exchange (ETDEWEB)

    Ichikawa, Rodrigo U.; Linhares, Horacio M.S.M.D.; Silva, Andre S.B. da; Teixeira, Maria I.; Ranieri, Izilda M.; Turrillas, Xavier; Martinez, G., E-mail: ichikawa@usp.br, E-mail: andre.santos.silva@usp.br, E-mail: miteixeira@ipen.br, E-mail: iranieri@ipen.br, E-mail: lgallego@ipen.br, E-mail: horaciolinhares@id.uff.br, E-mail: xturrillas@icmab.es [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Universidade Federal Fluminense (INFES/ UFF), Niteroi, RJ (Brazil); Institut de Ciència de Materials de Barcelona (ICMAB / CSIC) (Spain)

    2017-07-01

    In this work, the structure and microstructure of Nd:KY{sub 3}F{sub 10} nanoparticles was probed using X-ray synchrotron diffraction analysis. Rietveld refinement was applied to obtain cell parameters, atomic positions and atomic displacement factors to be compared with the ones found in literature. X-ray line profile methods were applied to determine mean crystallite size and crystallite size distribution. Thermoluminescent (TL) emission curves were measured for different radiation doses, from 0.10kGy up to 10.0kGy. Dose-response curves were obtained by area integration beneath the peaks from TL. The reproducibility of the results in this work has shown that this material can be considered a good dosimetric material. (author)

  8. Assessment of firing conditions in old fired-clay bricks: The contribution of X-ray powder diffraction with the Rietveld method and small angle neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Viani, Alberto, E-mail: viani@itam.cas.cz [Institute of Theoretical and Applied Mechanics AS CR, Centre of Excellence Telč, Batelovská 485, CZ-58856 Telč (Czech Republic); Sotiriadis, Konstantinos [Institute of Theoretical and Applied Mechanics AS CR, Centre of Excellence Telč, Batelovská 485, CZ-58856 Telč (Czech Republic); Len, Adél [Wigner Research Centre for Physics HAS, Konkoly-Thege 29-33, 1121 Budapest (Hungary); Šašek, Petr; Ševčík, Radek [Institute of Theoretical and Applied Mechanics AS CR, Centre of Excellence Telč, Batelovská 485, CZ-58856 Telč (Czech Republic)

    2016-06-15

    Full characterization of fired-clay bricks is crucial for the improvement of process variables in manufacturing and, in case of old bricks, for restoration/replacement purposes. To this aim, five bricks produced in a plant in Czech Republic in the past have been investigated with a combination of analytical techniques in order to derive information on the firing process. An additional old brick from another brickyard was also used to study the influence of different raw materials on sample microstructure. The potential of X-ray diffraction with the Rietveld method and small angle neutron scattering technique has been exploited to describe the phase transformations taking place during firing and characterize the brick microstructure. Unit-cell parameter of spinel and amount of hematite are proposed as indicators of the maximum firing temperature, although for the latter, limited to bricks produced from the same raw material. The fractal quality of the surface area of pores obtained from small angle neutron scattering is also suggested as a method to distinguish between bricks produced from different raw clays. - Highlights: • Rietveld method helps in describing microstructure and physical properties of bricks. • XRPD derived cell parameter of spinel is proposed as an indicator of firing temperature. • SANS effectively describes brick micro and nanostructure, including closed porosity. • Fractal quality of pore surface is proposed as ‘fingerprint’ of brick manufacturing.

  9. On the use of a composite moderator at the IBR-2 reactor: Advantages for the neutron-diffraction texture analysis of rocks

    Czech Academy of Sciences Publication Activity Database

    Bulavin, M. V.; Vasin, R.N.; Kulikov, S.A.; Lokajíček, Tomáš; Levin, D.M.

    2016-01-01

    Roč. 10, č. 4 (2016), s. 677-686 ISSN 1027-4510 Institutional support: RVO:67985831 Keywords : cold moderator * neutron-diffraction texture analysis * phase analysis * Rietveld method Subject RIV: DB - Geology ; Mineralogy

  10. 基于移动通信客户行为分析的精确营销策略研究%Refined marketing strategy research based on customer behavior analysis of mobile communications

    Institute of Scientific and Technical Information of China (English)

    杨军

    2012-01-01

    With the development of the whole business and 3G operators,extensive marketing has significantly lagged behind in the development of the telecommunications market.The refined marketing,data mining,marketing management concepts and intelligent computing methods applied to the marketing of telecommunications products,refined marketing strategy research based on customer behavior analysis of mobile communications was build.This model based on customer behavior,build customer value model,customer stickiness model,the client transaction model and customer demand discrimination model,the four models build a marketing matrix,in order to achieve customer segments for different customers,a different retention or marketing strategies were implemented for different customers,then the model of implementation are assessed.Precise marketing strategy for the marketing team could provide regular marketing support services and enhance the market competitiveness of enterprises.%随着全业务和3G运营的发展,粗放式的营销方式已明显滞后于电信市场的发展。将精细化营销、数据挖掘等营销管理理念和智能计算方法运用到电信产品营销中,提出了基于移动通信客户行为分析的精确营销策略模型。本模型依据客户行为分别建立客户价值模型、客户粘性模型、客户异动模型和客户需求鉴别模型,利用4个模型构建营销矩阵,实现客户群细分,针对不同客户实施不同保有和营销策略并对模型实施应用评估。精确营销策略能够为营销队伍提供常规化营销支持服务,提升企业市场竞争力。

  11. Enstatite, Mg/sub 2/Si/sub 2/O/sub 6/: A neutron diffraction refinement of the crystal structure and a rigid-body analysis of the thermal vibration

    Energy Technology Data Exchange (ETDEWEB)

    Ghose, S.; Schomaker, V.; McMullan, R.K.

    1986-01-01

    Synthetic enstatite, Mg/sub 2/Si/sub 2/O/sub 6/, is orthorhombic, space group Pbca, with eight formula units per cell and lattice parameters a = 18.235(3), b = 8.818(1), c = 5.179(1) A at 23/sup 0/C. A least-squares structure refinement based on 1790 neutron intensity data converged with an agreement factor R(F/sup 2/) = 0.032, yielding Mg-O and Si-O bond lengths with standard deviations of 0.0007 and 0.0008 A, respectively. The variations observed in the Si-O bond lengths within the silicate tetrahedra A and B are caused by the differences in primary coordination of the oxygen atoms and the proximity of the magnesium ions to the silicon atoms. The latter effect is most pronounced for the bridging bonds of tetrahedron. A. The smallest O-Si-O angle is the result of edge-sharing by the Mg(2) octahedron and the A tetrahedron. An analysis of rigid-body thermal vibrations of the two crystallographically independent (SiO/sub 4/) tetrahedra indicates considerable librational motion, leading to a thermal correction of apparent Si-O bond lengths as large as +0.002 A at room temperature.

  12. Economic analysis and performance of a low power diesel engine using soybean oil refined; Analise economica e de desempenho de um motor diesel de baixa potencia utilizando oleo de soja refinado

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Guilherme Ladeira dos; Fernandes, Haroldo Carlos; Alvarenga, Cleyton Batista de; Leite, Daniel Mariano; Siqueira, Wagner da Cunha [Universidade Federal de Vicosa (UFV), MG (Brazil). Dept. de Engenharia Agricola], E-mails: glsantos@yahoo.com.br, haroldo@ufv.br, cleyton.alvarenga@ufv.br, daniel.mariano@ufv.br, wagner.siqueira@ufv.br

    2011-07-01

    Oil is the main source of energy available to power internal combustion engines, enabling its transformation into mechanical energy. To meet the production of vegetable oils, many cultures can be used, according to regional conditions, especially those that are already commercially exploited, such as peanuts, Soybeans, Corn, Palm oil, Sunflower and Canola, and other public regional and castor oil, Andiroba, Pequi, Buriti, Inaja, Carnauba, Jatropha, among others. The objective of this work make an economic analysis of replacing diesel fuel by mixing and compare performance on the engine and using B{sub 2} biodiesel fuel mixture of diesel with 2 % Refined Soybean Oil (SAB). The loads applied by the dynamometer in the engine were 7, 9, 11, 13, 15, 17, 19 and 21.5 lbs. The engine was coupled to the dynamometer with the aid of pulleys and belts of the type V with gear ratio of 1:1,9. Apparently, the best vegetable oil mixture was 30 %, both in terms of specific consumption and cost from R$ kW{sup -1} h{sup -1}. Providing the same cost of pure diesel. (author)

  13. Variance analysis refines overhead cost control.

    Science.gov (United States)

    Cooper, J C; Suver, J D

    1992-02-01

    Many healthcare organizations may not fully realize the benefits of standard cost accounting techniques because they fail to routinely report volume variances in their internal reports. If overhead allocation is routinely reported on internal reports, managers can determine whether billing remains current or lost charges occur. Healthcare organizations' use of standard costing techniques can lead to more realistic performance measurements and information system improvements that alert management to losses from unrecovered overhead in time for corrective action.

  14. Refined geometric transition and qq-characters

    Science.gov (United States)

    Kimura, Taro; Mori, Hironori; Sugimoto, Yuji

    2018-01-01

    We show the refinement of the prescription for the geometric transition in the refined topological string theory and, as its application, discuss a possibility to describe qq-characters from the string theory point of view. Though the suggested way to operate the refined geometric transition has passed through several checks, it is additionally found in this paper that the presence of the preferred direction brings a nontrivial effect. We provide the modified formula involving this point. We then apply our prescription of the refined geometric transition to proposing the stringy description of doubly quantized Seiberg-Witten curves called qq-characters in certain cases.

  15. Risk as economic category: systematics scientific approach and refinement contents

    OpenAIRE

    V.G. Vygovskyy

    2015-01-01

    The paper studies the categorical-conceptual apparatus of risk and its refinement based on a critical analysis of existing systematic scientific approaches. Determined that in the refinement of the economic nature of the risk of a number of controversial issues: the definition of the objective or subjective nature of risk; matching of concepts such as «risk», «danger», «loss», «probability of loss»; definition of negative or positive consequences of risk; identification of risk with its conse...

  16. Bayesian ensemble refinement by replica simulations and reweighting

    Science.gov (United States)

    Hummer, Gerhard; Köfinger, Jürgen

    2015-12-01

    We describe different Bayesian ensemble refinement methods, examine their interrelation, and discuss their practical application. With ensemble refinement, the properties of dynamic and partially disordered (bio)molecular structures can be characterized by integrating a wide range of experimental data, including measurements of ensemble-averaged observables. We start from a Bayesian formulation in which the posterior is a functional that ranks different configuration space distributions. By maximizing this posterior, we derive an optimal Bayesian ensemble distribution. For discrete configurations, this optimal distribution is identical to that obtained by the maximum entropy "ensemble refinement of SAXS" (EROS) formulation. Bayesian replica ensemble refinement enhances the sampling of relevant configurations by imposing restraints on averages of observables in coupled replica molecular dynamics simulations. We show that the strength of the restraints should scale linearly with the number of replicas to ensure convergence to the optimal Bayesian result in the limit of infinitely many replicas. In the "Bayesian inference of ensembles" method, we combine the replica and EROS approaches to accelerate the convergence. An adaptive algorithm can be used to sample directly from the optimal ensemble, without replicas. We discuss the incorporation of single-molecule measurements and dynamic observables such as relaxation parameters. The theoretical analysis of different Bayesian ensemble refinement approaches provides a basis for practical applications and a starting point for further investigations.

  17. Mechanical pulping with a sequential velocity refiner- a new concept

    Science.gov (United States)

    C.W. McMillin

    1978-01-01

    In previous research with refiner mechanical pulps, a theoretical stress analysis indicated that longitudinal tracheids of Pinus taeda L. fail while under torsional stress and unwind into ribbonlike elements that provide the coherence necessary for strength development. When macerated tracheids of loblolly pine were individually stressed in torsion...

  18. European oil refining: strategies for a competitive future

    International Nuclear Information System (INIS)

    MacDonald, James.

    1997-07-01

    European Oil Refining investigates how the industry came to be in crisis and what the future holds. As well as an extensive analysis of past and present market shifts, the report predicts likely future developments and their consequences for investors. The report reviews the European oil sector in a global context, calculates the cost to refiners of key environmental legislation, assesses the problems caused by changing product demand and crude supply, examines possible solutions to the problems of low margins and overcapacity, evaluates the key players' main strategies to increase their competitiveness, analyses the western European oil refining industry by country, details the refinery operations of the major countries of central and eastern Europe, profiles 15 of the major oil companies and estimates the increase in investment required as a result of legislative and demand changes. (author)

  19. Automated knowledge-base refinement

    Science.gov (United States)

    Mooney, Raymond J.

    1994-01-01

    Over the last several years, we have developed several systems for automatically refining incomplete and incorrect knowledge bases. These systems are given an imperfect rule base and a set of training examples and minimally modify the knowledge base to make it consistent with the examples. One of our most recent systems, FORTE, revises first-order Horn-clause knowledge bases. This system can be viewed as automatically debugging Prolog programs based on examples of correct and incorrect I/O pairs. In fact, we have already used the system to debug simple Prolog programs written by students in a programming language course. FORTE has also been used to automatically induce and revise qualitative models of several continuous dynamic devices from qualitative behavior traces. For example, it has been used to induce and revise a qualitative model of a portion of the Reaction Control System (RCS) of the NASA Space Shuttle. By fitting a correct model of this portion of the RCS to simulated qualitative data from a faulty system, FORTE was also able to correctly diagnose simple faults in this system.

  20. A method for refining oil

    Energy Technology Data Exchange (ETDEWEB)

    Bruskin, Yu.A.; Gorokhov, V.V.; Kotler, L.D.; Kovalenko, N.F.; Spasskiy, Yu.B.; Titov, A.M.; Vlasenko, V.Ye.; Vytnov, V.A.

    1983-01-01

    In the method for refining oil through its distillation with the isolation of directly distilled gases and a benzine fraction (BS) with the use of a benzine fraction pyrolysis, in order to increase the output of the lower olefines and to reduce the energy expenditures, the distillation is conducted with the isolation of 10 to 40 percent of the benzine fraction from its potential content along with the directly distilled gases. The obtained mixture of the remaining part of the benzine fraction is absorbed at a pressure of 1.5 to 6 atmospheres with the feeding of the obtained saturated absorbent to pyrolysis and subsequent mixing of the obtained pyrolysis gas with the unabsorbed product and their joint gas division. As compared to the known method, the proposed method makes it possible to reduce the energy expenditures which is achieved through a reduction in the volume of irrigation in the tower, and to increase the output of the olefines through processing of the steam and gas mixture of the benzine and the directly distilled gases.

  1. Analysis of crystallite size and microdeformation crystal lattice the tungsten carbide milling in mill high energy; Analise do tamanho do cristalito e microdeformacao da rede cristalina do carbeto de tugstenio moidos em moinho de alta energia

    Energy Technology Data Exchange (ETDEWEB)

    Silva, F.T. da; Nunes, M.A.M. [Universidade Federal do Rio Grande do Norte (PPGCEM/UFRN), Natal (Brazil). Programa de Pos-Graduacao em Ciencia e Engenharia de Materiais; Oliveira, R.M.V. de; Silva, G.G. da [Instituto Federal do Rio Grande do Norte (IFRN), Natal (Brazil); Souza, C.P. de; Gomes, U.U. [Universidade Federal do Rio Grande do Norte (UFRN), Natal (Brazil)

    2010-07-01

    The tungsten carbide (WC) has wide application due to its properties like high melting point, high hardness, wear resistance, oxidation resistance and good electrical conductivity. The microstructural characteristics of the starting powders influences the final properties of the carbide. In this context, the use of nanoparticle powders is an efficient way to improve the final properties of the WC. The high energy milling stands out from other processes to obtain nanometric powders due to constant microstructural changes caused by this process. Therefore, the objective is to undertake an analysis of microstructural characteristics on the crystallite size and microdeformations of the crystal lattice using the technique of X-ray diffraction (XRD) using the Rietveld refinement. The results show an efficiency of the milling process to reduce the crystallite size, leading to a significant deformation in the crystal lattice of WC from 5h milling. (author)

  2. Structure of 3 at.% and 9 at.% Si-doped HfO{sub 2} from combined refinement of X-ray and neutron diffraction patterns

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Lili [Department of Materials Science and Engineering, North Carolina State University, NC 27695 (United States); School of Information Science and Technology, Northwest University, Xi' an 710127 (China); Hou, Dong; Usher, Tedi-Marie; Iamsasri, Thanakorn; Fancher, Chris M.; Forrester, Jennifer S. [Department of Materials Science and Engineering, North Carolina State University, NC 27695 (United States); Nishida, Toshikazu [Department of Electrical and Computer Engineering, University of Florida, FL 32611 (United States); Moghaddam, Saeed [Department of Mechanical and Aerospace Engineering, University of Florida, FL 32611 (United States); Jones, Jacob L., E-mail: jacobjones@ncsu.edu [Department of Materials Science and Engineering, North Carolina State University, NC 27695 (United States)

    2015-10-15

    The crystal structure of 3 at.% and 9 at.% Si-doped HfO{sub 2} powder was determined through refinements using X-ray and neutron diffraction patterns. The lattice parameters, atomic positions, dopant occupancy, and the second phase fraction were determined with high precision using a combined full pattern fitting via the Rietveld method. The results show that both 3 at.% and 9 at.% Si-doped HfO{sub 2} powder exhibit the monoclinic crystal structure with P 1 2{sub 1}/c 1 space group. Through the combined refinement, the crystal structure parameters, especially for the positions and occupancies of the lighter atoms, were more precisely determined compared to independent X-ray diffraction refinement. Although the ionic radius of Si{sup 4+} is smaller than Hf{sup 4+}, with increasing Si occupancy, the unit cell volume slightly increases; possible mechanisms for this effect are discussed. Moreover, the refined results provide evidence of the existence of a non-equilibrium phase of Hf{sub x}Si{sub 1−x}O{sub 2}. The second phase (SiO{sub 2}) fraction is determined as 0.17 at.% for 3 at.% Si-doped HfO{sub 2} powders and 1.7 at.% for 9 at.% Si-doped HfO{sub 2} powders. - Highlights: • X-ray and neutron diffraction patterns were used to determine crystal structure. • Results from independent refinements and a combined refinement were compared. • Highly precise structural parameters were obtained by the combined refinement. • Structural data of 3 at.% and 9 at.% Si-doped HfO{sub 2} are provided. • The unit cell volume slightly increases with Si concentration from 3 to 9 at.%.

  3. Quantitative phase analysis and microstructure characterization of magnetite nanocrystals obtained by microwave assisted non-hydrolytic sol–gel synthesis

    International Nuclear Information System (INIS)

    Sciancalepore, Corrado; Bondioli, Federica; Manfredini, Tiziano; Gualtieri, Alessandro

    2015-01-01

    An innovative preparation procedure, based on microwave assisted non-hydrolytic sol–gel synthesis, to obtain spherical magnetite nanoparticles was reported together with a detailed quantitative phase analysis and microstructure characterization of the synthetic products. The nanoparticle growth was analyzed as a function of the synthesis time and was described in terms of crystallization degree employing the Rietveld method on the magnetic nanostructured system for the determination of the amorphous content using hematite as internal standard. Product crystallinity increases as the microwave thermal treatment is increased and reaches very high percentages for synthesis times longer than 1 h. Microstructural evolution of nanocrystals was followed by the integral breadth methods to obtain information on the crystallite size-strain distribution. The results of diffraction line profile analysis were compared with nanoparticle grain distribution estimated by dimensional analysis of the transmission electron microscopy (TEM) images. A variation both in the average grain size and in the distribution of the coherently diffraction domains is evidenced, allowing to suppose a relationship between the two quantities. The traditional integral breadth methods have proven to be valid for a rapid assessment of the diffraction line broadening effects in the above-mentioned nanostructured systems and the basic assumption for the correct use of these methods are discussed as well. - Highlights: • Fe 3 O 4 nanocrystals were obtained by MW-assisted non-hydrolytic sol–gel synthesis. • Quantitative phase analysis revealed that crystallinity up to 95% was reached. • The strategy of Rietveld refinements was discussed in details. • Dimensional analysis showed nanoparticles ranging from 4 to 8 nm. • Results of integral breadth methods were compared with microscopic analysis

  4. Quantitative phase analysis and microstructure characterization of magnetite nanocrystals obtained by microwave assisted non-hydrolytic sol–gel synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Sciancalepore, Corrado, E-mail: corrado.sciancalepore@unimore.it [Department of Engineering “Enzo Ferrari”, University of Modena and Reggio Emilia, Via Pietro Vivarelli 10, 41100 Modena (Italy); Bondioli, Federica [Department of Industrial Engineering, University of Parma, Parco Area delle Scienze, 181/A, 43124 Parma (Italy); INSTM Consortium, Via G. Giusti 9, 51121 Firenze (Italy); Manfredini, Tiziano [Department of Engineering “Enzo Ferrari”, University of Modena and Reggio Emilia, Via Pietro Vivarelli 10, 41100 Modena (Italy); INSTM Consortium, Via G. Giusti 9, 51121 Firenze (Italy); Gualtieri, Alessandro [Department of Chemical and Geological Science, University of Modena and Reggio Emilia, Via S. Eufemia 19, 41121 Modena Italy (Italy)

    2015-02-15

    An innovative preparation procedure, based on microwave assisted non-hydrolytic sol–gel synthesis, to obtain spherical magnetite nanoparticles was reported together with a detailed quantitative phase analysis and microstructure characterization of the synthetic products. The nanoparticle growth was analyzed as a function of the synthesis time and was described in terms of crystallization degree employing the Rietveld method on the magnetic nanostructured system for the determination of the amorphous content using hematite as internal standard. Product crystallinity increases as the microwave thermal treatment is increased and reaches very high percentages for synthesis times longer than 1 h. Microstructural evolution of nanocrystals was followed by the integral breadth methods to obtain information on the crystallite size-strain distribution. The results of diffraction line profile analysis were compared with nanoparticle grain distribution estimated by dimensional analysis of the transmission electron microscopy (TEM) images. A variation both in the average grain size and in the distribution of the coherently diffraction domains is evidenced, allowing to suppose a relationship between the two quantities. The traditional integral breadth methods have proven to be valid for a rapid assessment of the diffraction line broadening effects in the above-mentioned nanostructured systems and the basic assumption for the correct use of these methods are discussed as well. - Highlights: • Fe{sub 3}O{sub 4} nanocrystals were obtained by MW-assisted non-hydrolytic sol–gel synthesis. • Quantitative phase analysis revealed that crystallinity up to 95% was reached. • The strategy of Rietveld refinements was discussed in details. • Dimensional analysis showed nanoparticles ranging from 4 to 8 nm. • Results of integral breadth methods were compared with microscopic analysis.

  5. Refinement Checking on Parametric Modal Transition Systems

    DEFF Research Database (Denmark)

    Benes, Nikola; Kretínsky, Jan; Larsen, Kim Guldstrand

    2015-01-01

    Modal transition systems (MTS) is a well-studied specification formalism of reactive systems supporting a step-wise refinement methodology. Despite its many advantages, the formalism as well as its currently known extensions are incapable of expressing some practically needed aspects in the refin...

  6. Comparing Syntactic and Semantics Action Refinement

    NARCIS (Netherlands)

    Goltz, Ursula; Gorrieri, Roberto; Rensink, Arend

    The semantic definition of action refinement on labelled configuration structures is compared with the notion of syntactic substitution, which can be used as another notion of action refinement in a process algebraic setting. The comparison is done by studying a process algebra equipped with

  7. On Syntactic and Semantic Action Refinement

    NARCIS (Netherlands)

    Hagiya, M.; Goltz, U.; Mitchell, J.C.; Gorrieri, R.; Rensink, Arend

    1994-01-01

    The semantic definition of action refinement on labelled event structures is compared with the notion of syntactic substitution, which can be used as another notion of action refinement in a process algebraic setting. This is done by studying a process algebra equipped with the ACP sequential

  8. Anomalies in the refinement of isoleucine

    Energy Technology Data Exchange (ETDEWEB)

    Berntsen, Karen R. M.; Vriend, Gert, E-mail: gerrit.vriend@radboudumc.nl [Radboud University Medical Center, Geert Grooteplein 26-28, 6525 GA Nijmegen (Netherlands)

    2014-04-01

    The side-chain torsion angles of isoleucines in X-ray protein structures are a function of resolution, secondary structure and refinement software. Detailing the standard torsion angles used in refinement software can improve protein structure refinement. A study of isoleucines in protein structures solved using X-ray crystallography revealed a series of systematic trends for the two side-chain torsion angles χ{sub 1} and χ{sub 2} dependent on the resolution, secondary structure and refinement software used. The average torsion angles for the nine rotamers were similar in high-resolution structures solved using either the REFMAC, CNS or PHENIX software. However, at low resolution these programs often refine towards somewhat different χ{sub 1} and χ{sub 2} values. Small systematic differences can be observed between refinement software that uses molecular dynamics-type energy terms (for example CNS) and software that does not use these terms (for example REFMAC). Detailing the standard torsion angles used in refinement software can improve the refinement of protein structures. The target values in the molecular dynamics-type energy functions can also be improved.

  9. Refined large N duality for knots

    DEFF Research Database (Denmark)

    Kameyama, Masaya; Nawata, Satoshi

    We formulate large N duality of U(N) refined Chern-Simons theory with a torus knot/link in S³. By studying refined BPS states in M-theory, we provide the explicit form of low-energy effective actions of Type IIA string theory with D4-branes on the Ω-background. This form enables us to relate...

  10. Anomalies in the refinement of isoleucine

    International Nuclear Information System (INIS)

    Berntsen, Karen R. M.; Vriend, Gert

    2014-01-01

    The side-chain torsion angles of isoleucines in X-ray protein structures are a function of resolution, secondary structure and refinement software. Detailing the standard torsion angles used in refinement software can improve protein structure refinement. A study of isoleucines in protein structures solved using X-ray crystallography revealed a series of systematic trends for the two side-chain torsion angles χ 1 and χ 2 dependent on the resolution, secondary structure and refinement software used. The average torsion angles for the nine rotamers were similar in high-resolution structures solved using either the REFMAC, CNS or PHENIX software. However, at low resolution these programs often refine towards somewhat different χ 1 and χ 2 values. Small systematic differences can be observed between refinement software that uses molecular dynamics-type energy terms (for example CNS) and software that does not use these terms (for example REFMAC). Detailing the standard torsion angles used in refinement software can improve the refinement of protein structures. The target values in the molecular dynamics-type energy functions can also be improved

  11. Grain refinement of zinc-aluminium alloys

    International Nuclear Information System (INIS)

    Zaid, A.I.O.

    2006-01-01

    It is now well-established that the structure of the zinc-aluminum die casting alloys can be modified by the binary Al-Ti or the ternary Al-Ti-B master alloys. in this paper, grain refinement of zinc-aluminum alloys by rare earth materials is reviewed and discussed. The importance of grain refining of these alloys and parameters affecting it are presented and discussed. These include parameters related to the Zn-Al alloys cast, parameters related to the grain refining elements or alloys and parameters related to the process. The effect of addition of other alloying elements e.g. Zr either alone or in the presence of the main grain refiners Ti or Ti + B on the grain refining efficiency is also reviewed and discussed. Furthermore, based on the grain refinement and the parameters affecting it, a criterion for selection of the optimum grain refiner is suggested. Finally, the recent research work on the effect of grain refiners on the mechanical behaviour, impact strength, wear resistance, and fatigue life of these alloys are presented and discussed. (author)

  12. Refined Phenotyping of Modic Changes

    Science.gov (United States)

    Määttä, Juhani H.; Karppinen, Jaro; Paananen, Markus; Bow, Cora; Luk, Keith D.K.; Cheung, Kenneth M.C.; Samartzis, Dino

    2016-01-01

    Abstract Low back pain (LBP) is the world's most disabling condition. Modic changes (MC) are vertebral bone marrow changes adjacent to the endplates as noted on magnetic resonance imaging. The associations of specific MC types and patterns with prolonged, severe LBP and disability remain speculative. This study assessed the relationship of prolonged, severe LBP and back-related disability, with the presence and morphology of lumbar MC in a large cross-sectional population-based study of Southern Chinese. We addressed the topographical and morphological dimensions of MC along with other magnetic resonance imaging phenotypes (eg, disc degeneration and displacement) on the basis of axial T1 and sagittal T2-weighted imaging of L1-S1. Prolonged severe LBP was defined as LBP lasting ≥30 days during the past year, and a visual analog scale severest pain intensity of at least 6/10. An Oswestry Disability Index score of 15% was regarded as significant disability. We also assessed subject demographics, occupation, and lifestyle factors. In total, 1142 subjects (63% females, mean age 53 years) were assessed. Of these, 282 (24.7%) had MC (7.1% type I, 17.6% type II). MC subjects were older (P = 0.003), had more frequent disc displacements (P disability. The strength of the associations increased with the number of MC. This large-scale study is the first to definitively note MC types and specific morphologies to be independently associated with prolonged severe LBP and back-related disability. This proposed refined MC phenotype may have direct implications in clinical decision-making as to the development and management of LBP. Understanding of these imaging biomarkers can lead to new preventative and personalized therapeutics related to LBP. PMID:27258491

  13. Refinement of boards' role required.

    Science.gov (United States)

    Umbdenstock, R J

    1987-01-01

    The governing board's role in health care is not changing, but new competitive forces necessitate a refinement of the board's approach to fulfilling its role. In a free-standing, community, not-for-profit hospital, the board functions as though it were the "owner." Although it does not truly own the facility in the legal sense, the board does have legal, fiduciary, and financial responsibilities conferred on it by the state. In a religious-sponsored facility, the board fulfills these same obligations on behalf of the sponsoring institute, subject to the institute's reserved powers. In multi-institutional systems, the hospital board's power and authority depend on the role granted it by the system. Boards in all types of facilities are currently faced with the following challenges: Fulfilling their basic responsibilities, such as legal requirements, financial duties, and obligations for the quality of care. Encouraging management and the board itself to "think strategically" in attacking new competitive market forces while protecting the organization's traditional mission and values. Assessing recommended strategies in light of consequences if constituencies think the organization is abandoning its commitments. Boards can take several steps to match their mode of operation with the challenges of the new environment. Boards must rededicate themselves to the hospital's mission. Trustees must expand their understanding of health care trends and issues and their effect on the organization. Boards must evaluate and help strengthen management's performance, rather than acting as a "watchdog" in an adversarial position. Boards must think strategically, rather than focusing solely on operational details. Boards must evaluate the methods they use for conducting business.

  14. North Dakota Refining Capacity Study

    Energy Technology Data Exchange (ETDEWEB)

    Dennis Hill; Kurt Swenson; Carl Tuura; Jim Simon; Robert Vermette; Gilberto Marcha; Steve Kelly; David Wells; Ed Palmer; Kuo Yu; Tram Nguyen; Juliam Migliavacca

    2011-01-05

    According to a 2008 report issued by the United States Geological Survey, North Dakota and Montana have an estimated 3.0 to 4.3 billion barrels of undiscovered, technically recoverable oil in an area known as the Bakken Formation. With the size and remoteness of the discovery, the question became 'can a business case be made for increasing refining capacity in North Dakota?' And, if so what is the impact to existing players in the region. To answer the question, a study committee comprised of leaders in the region's petroleum industry were brought together to define the scope of the study, hire a consulting firm and oversee the study. The study committee met frequently to provide input on the findings and modify the course of the study, as needed. The study concluded that the Petroleum Area Defense District II (PADD II) has an oversupply of gasoline. With that in mind, a niche market, naphtha, was identified. Naphtha is used as a diluent used for pipelining the bitumen (heavy crude) from Canada to crude markets. The study predicted there will continue to be an increase in the demand for naphtha through 2030. The study estimated the optimal configuration for the refinery at 34,000 barrels per day (BPD) producing 15,000 BPD of naphtha and a 52 percent refinery charge for jet and diesel yield. The financial modeling assumed the sponsor of a refinery would invest its own capital to pay for construction costs. With this assumption, the internal rate of return is 9.2 percent which is not sufficient to attract traditional investment given the risk factor of the project. With that in mind, those interested in pursuing this niche market will need to identify incentives to improve the rate of return.

  15. Uranium refining by solvent extraction

    International Nuclear Information System (INIS)

    Kraikaew, J.; Srinuttrakul, W.

    2014-01-01

    The solvent extraction process to produce higher purity uranium from yellowcake was studied in laboratory scale. Yellowcake, which the uranium purity is around 70% and the main impurity is thorium, was obtained from monazite processing pilot plant of Rare Earth Research and Development Center in Thailand. For uranium re-extraction process, the extractant chosen was Tributylphosphate (TBP) in kerosene. It was found that the optimum concentration of TBP was 10% in kerosene and the optimum nitric acid concentration in uranyl nitrate feed solution was 4 N. An increase in concentrations of uranium and thorium in feed solution resulted in a decrease in the distribution of both components in the extractant. However, the distribution of uranium into the extractant was found to be more than that of thorium. The equilibration study of the extraction system, UO_2(NO_3)/4N HNO_3 – 10%TBP/Kerosene, was also investigated. Two extraction stages were calculated graphically from 100,000 ppm uranium concentration in feed solution input with 90% extraction efficiency and the flow ratio of aqueous phase to organic phase was adjusted to 1.0. For thorium impurity scrubbing process, 10% TBP in kerosene was loaded with uranium and minor thorium from uranyl nitrate solution prepared from yellowcake and was scrubbed with different low concentration nitric acid. The results showed that at nitric acid normality was lower than 1 N, uranium distributed well to aqueous phase. As conclusion, optimum nitric acid concentration for scrubbing process should not less than 1 N and diluted nitric acid or de-ionized water should be applied to strip uranium from organic phase in the final refining process. (author)

  16. Influence of Alloy and Solidification Parameters on Grain Refinement in Aluminum Weld Metal due to Inoculation

    Energy Technology Data Exchange (ETDEWEB)

    Schempp, Philipp [BAM, Germany; Tang, Z. [BIAS, Germany; Cross, Carl E. [Los Alamos National Laboratory; Seefeld, T. [BIAS, Germany; Pittner, A. [BAM, Germany; Rethmeier, M. [BAM, Germany

    2012-06-28

    The goals are: (1) Establish how much Ti/B grain refiner is need to completely refine aluminum weld metal for different alloys and different welding conditions; (2) Characterize how alloy composition and solidification parameters affect weld metal grain refinement; and (3) Apply relevant theory to understand observed behavior. Conclusions are: (1) additions of Ti/B grain refiner to weld metal in Alloys 1050, 5083, and 6082 resulted in significant grain refinement; (2) grain refinement was more effective in GTAW than LBW, resulting in finer grains at lower Ti content - reason is limited time available for equiaxed grain growth in LBW (inability to occlude columnar grain growth); (3) welding travel speed did not markedly affect grain size within GTAW and LBW clusters; and (4) application of Hunt CET analysis showed experimental G to be on the order of the critical G{sub CET}; G{sub CET} was consistently higher for GTAW than for LBW.

  17. Application of low current intensity electrolytic treatment for the chlorides extraction in underwater archaeological objects of iron. Observation of the mineralogical phases evolution through XRD-Rietveld

    International Nuclear Information System (INIS)

    Bethencourt, M.; Gil, M. L. A.; Fernandez-Lorenzo, C.; Santos, A.

    2004-01-01

    With the purpose of optimising a suitable methodology for the conservation of an archaeological object of iron, a low current intensities electrolytic treatment has been applied, to a piece of cast iron, proving to be effective in the extraction of chloride ions from the structure of akaganeite, principal corrosion product of iron in the marine medium. The monitoring of the electrolytic treatment has been proven by applying the Rietveld method to the patterns XRD of samples extracted from the corroded surface before and after the treatment. This method has permitted the unequivocal determination of the akaganeite and its chemical composition. This identification has been corroborated by means of SEM and EDS. After the electrolytic treatment, akaganeite was not present in the sample. (Author) 9 refs

  18. The future of the refining industry; L`avenir de l`industrie du raffinage

    Energy Technology Data Exchange (ETDEWEB)

    Favennec, J P; Guerard, P; Freund, E; Obe, P; O` Brien, D; Montanier, J C

    1996-12-31

    An analysis of the situation and of the future prospects of the refining industry in Europe is given and compared to the other world areas (USA, south-east Asian). Nowadays, the refining industry imposes to take into account of the environmental constraints, of the products qualities and of the refineries emissions. New possible technologies are described. (O.M.) 21 refs.

  19. The future of the refining industry; L`avenir de l`industrie du raffinage

    Energy Technology Data Exchange (ETDEWEB)

    Favennec, J.P.; Guerard, P.; Freund, E.; Obe, P.; O`Brien, D.; Montanier, J.C.

    1995-12-31

    An analysis of the situation and of the future prospects of the refining industry in Europe is given and compared to the other world areas (USA, south-east Asian). Nowadays, the refining industry imposes to take into account of the environmental constraints, of the products qualities and of the refineries emissions. New possible technologies are described. (O.M.) 21 refs.

  20. Study of the crystallite size of nitrosylpentacyanoferrate through refinement of structures

    International Nuclear Information System (INIS)

    Jimenez G, J.A.; Yee M, H.T.; Balmaceda E, J.; Reguera R, E.

    2006-01-01

    The development reached in the instrumentation and in the computer science of the diffraction of rays X, it has enlarged the reach of the method of powders considerably, in the resolution of crystalline structures of polycrystalline material converting it in a potent tool that, attended by spectroscopic techniques, it allows the fine characterization to atomic scale of having been accustomed to crystalline. In the thesis it is developed an effective methodology of determination of the crystallite size and structural refinement starting from data of diffraction of powders, based on the use of the equation of Sherrer for the estimate of the crystallite size and the method of Rietveld for the structural refinement; supplemented with the employment of the spectroscopic methods (IR and Moessbauer). The combined use of these techniques in the structural study of having been accustomed to crystalline lens of high complexity provides a novel and advanced work. The estimate of the crystallite size, it has been little explored to study accustomed to crystalline such as the pentacyanonitrosyl ferrates. One of the reasons for the which have intended to study the glass size in these structures it is due to that the molecular materials have attracted the attention of the international scientific community for their promissory properties in fields so diverse as: the absorption, desorption and separation of gases among others. Of the entreated information by means of databases and articles of scientific popularization were refined the structures of two compounds (NPCo and NPNi) obtained by powders diffraction; offering the possibility to develop a titled work: 'Physical description of the desorption of the water in nano structured material of nitrosyl penta cyano ferrates' which is carried out in parallel way to this thesis. This tools supplemented with the spectroscopic methods, potent the reach of the methods of diffraction of powders for the structural study of having been

  1. Optimizing refiner operation with statistical modelling

    Energy Technology Data Exchange (ETDEWEB)

    Broderick, G [Noranda Research Centre, Pointe Claire, PQ (Canada)

    1997-02-01

    The impact of refining conditions on the energy efficiency of the process and on the handsheet quality of a chemi-mechanical pulp was studied as part of a series of pilot scale refining trials. Statistical models of refiner performance were constructed from these results and non-linear optimization of process conditions were conducted. Optimization results indicated that increasing the ratio of specific energy applied in the first stage led to a reduction of some 15 per cent in the total energy requirement. The strategy can also be used to obtain significant increases in pulp quality for a given energy input. 20 refs., 6 tabs.

  2. Refinement Types for TypeScript

    OpenAIRE

    Vekris, Panagiotis; Cosman, Benjamin; Jhala, Ranjit

    2016-01-01

    We present Refined TypeScript (RSC), a lightweight refinement type system for TypeScript, that enables static verification of higher-order, imperative programs. We develop a formal core of RSC that delineates the interaction between refinement types and mutability. Next, we extend the core to account for the imperative and dynamic features of TypeScript. Finally, we evaluate RSC on a set of real world benchmarks, including parts of the Octane benchmarks, D3, Transducers, and the TypeScript co...

  3. Price implications for Russia's oil refining

    International Nuclear Information System (INIS)

    Khartukov, Eugene M.

    1998-01-01

    Over the past several years, Russia's oil industry has undergone its radical transformation from a wholly state-run and generously subsidized oil distribution system toward a substantially privatized, cash-strapped, and quasi-market ''petropreneurship''. This fully applies to the industry's downstream sector. Still unlike more dynamic E and C operations, the country's refining has turned out better fenced off competitive market forces and is less capable to respond to market imperatives. Consequently, jammed between depressed product prices and persistent feedstock costs, Russian refiners were badly hit by the world oil glut - which has made a radical modernization of the obsolete refining sector clearly a must. (author)

  4. Linkages between the markets for crude oil and the markets for refined products

    International Nuclear Information System (INIS)

    Didziulis, V.S.

    1990-01-01

    To understand the crude oil price determination process it is necessary to extend the analysis beyond the markets for petroleum. Crude oil prices are determined in two closely related markets: the markets for crude oil and the markets for refined products. An econometric-linear programming model was developed to capture the linkages between the markets for crude oil and refined products. In the LP refiners maximize profits given crude oil supplies, refining capacities, and prices of refined products. The objective function is profit maximization net of crude oil prices. The shadow price on crude oil gives the netback price. Refined product prices are obtained from the econometric models. The model covers the free world divided in five regions. The model is used to analyze the impacts on the markets of policies that affect crude oil supplies, the demands for refined products, and the refining industry. For each scenario analyzed the demand for crude oil is derived from the equilibrium conditions in the markets for products. The demand curve is confronted with a supply curve which maximizes revenues providing an equilibrium solution for both crude oil and product markets. The model also captures crude oil price differentials by quality. The results show that the demands for crude oil are different across regions due to the structure of the refining industries and the characteristics of the demands for refined products. Changes in the demands for products have a larger impact on the markets than changes in the refining industry. Since markets for refined products and crude oil are interrelated they can't be analyzed individually if an accurate and complete assessment of a policy is to be made. Changes in only one product market in one region affect the other product markets and the prices of crude oil

  5. Influences of different degassing processes on refining effect and properties of 4004 Al alloy

    Directory of Open Access Journals (Sweden)

    Wang Liping

    2013-03-01

    Full Text Available In order to improve the plasticity of 4004 Al alloy and subsequently the productivity of 4004 Al foil, the research studied in detail the influence of the rotary impeller degassing process on the refining effect of 4004 Al alloy, in which the impacts of four major parameters: gas flow, rotational speed, refining time, and stewing time, on degassing rate of 4004 Al alloy was systematically studied by using an orthogonal experiment methodology. Results show that the rotational speed has the greatest impact on the degassing of 4004 Al alloy, followed by gas flow and refining time; stewing time has the least impact. The optimum purification parameters obtained by current orthogonal analysis were: rotor speed of 500 r·min-1, inert gas flow of 0.4 mL·h-1, refining time of 15 min, and stewing time of 6 min. Degassing rate using the optimum parameters reaches 68%. In addition, the comparison experiments among C2Cl6 refining, rotary impeller degassing, and combined treatment of C2Cl6 refining and rotary impeller degassing for 4004 Al alloy were performed. The experimental data indicated that the combined treatment of C2Cl6 refining and rotary impeller degassing has the best degassing effect. Degassing rate of C2Cl6 refining, rotary impeller degassing and combined refining treatment is 39%, 69.1% and 76.9%, respectively. The mechanical properties of the specimen refined by rotary impeller degassing were higher than those by C2Cl6 refining, but lower than those by combined refining treatment.

  6. Refinement for Transition Systems with Responses

    Directory of Open Access Journals (Sweden)

    Marco Carbone

    2012-07-01

    Full Text Available Motivated by the response pattern for property specifications and applications within flexible workflow management systems, we report upon an initial study of modal and mixed transition systems in which the must transitions are interpreted as must eventually, and in which implementations can contain may behaviors that are resolved at run-time. We propose Transition Systems with Responses (TSRs as a suitable model for this study. We prove that TSRs correspond to a restricted class of mixed transition systems, which we refer to as the action-deterministic mixed transition systems. We show that TSRs allow for a natural definition of deadlocked and accepting states. We then transfer the standard definition of refinement for mixed transition systems to TSRs and prove that refinement does not preserve deadlock freedom. This leads to the proposal of safe refinements, which are those that preserve deadlock freedom. We exemplify the use of TSRs and (safe refinements on a small medication workflow.

  7. Taiwan: refined need for consuming population

    International Nuclear Information System (INIS)

    Hayes, David.

    1995-01-01

    A brief discussion is given of the oil and gas industry in Taiwan. Topics covered include the possibility of privatization, refineries and refining contracts overseas, plans for a new petrochemical complex and an offshore submarine transmission pipeline. (UK)

  8. 1991 worldwide refining and gas processing directory

    International Nuclear Information System (INIS)

    Anon.

    1990-01-01

    This book ia an authority for immediate information on the industry. You can use it to find new business, analyze market trends, and to stay in touch with existing contacts while making new ones. The possibilities for business applications are numerous. Arranged by country, all listings in the directory include address, phone, fax and telex numbers, a description of the company's activities, names of key personnel and their titles, corporate headquarters, branch offices and plant sites. This newly revised edition lists more than 2000 companies and nearly 3000 branch offices and plant locations. This east-to-use reference also includes several of the most vital and informative surveys of the industry, including the U.S. Refining Survey, the Worldwide Construction Survey in Refining, Sulfur, Gas Processing and Related Fuels, the Worldwide Refining and Gas Processing Survey, the Worldwide Catalyst Report, and the U.S. and Canadian Lube and Wax Capacities Report from the National Petroleum Refiner's Association

  9. Development of a Refined Staff Group Trainer

    National Research Council Canada - National Science Library

    Quensel, Susan

    1999-01-01

    .... As a follow-on effort to the previous SGT project, the goal was to refine a brigade-level staff training program to more effectively and efficiently coordinate the activities within and between the...

  10. Oil refining in South Asia and Australasia

    International Nuclear Information System (INIS)

    Yamaguchi, N.D.

    2000-01-01

    An overview of the oil markets of Southeast Asia and Australasia is presented focussing on oil refining. Key statistics of both areas are tabulated, and figures providing information on GDP/capita, crude production, comparison of demand barrels, and product demand are provided. Crude oil production and supply, oil product demand, and the refining industries are examined with details given of evolution of capacity and cracking to distillation ratios

  11. The present state of refining in France

    International Nuclear Information System (INIS)

    1996-01-01

    The european refining industry suffers from a production over-capacity and closures are inevitable; the situation is even worse in France due to the imbalance between gas oil and gasoline prices and the weak margin for distributors. The French refining industry is however an important and essential link for its strategic fuel and petroleum product supply, and represent 17000 jobs. Several measures are introduced by the French Industry department towards restructuring, capacity reduction and fuel price harmonization

  12. Oil Production, Refining and Transportation in Canada

    Directory of Open Access Journals (Sweden)

    Igbal A. Guliyev

    2015-01-01

    Full Text Available The article deals with fuel and energy complex of Canada as one of the largest manufacturers of primary energy in the world, which provides up to 6 percent of the world energy supply. Only the Russian Federation, PRC, the United States of America and the Kingdom of Saudi Arabia have larger production volumes. However, oil plays the most significant role in Canada's energy exports. It is estimated that its proven reserves are sufficient to meet the demand for 140 years at current production rate. The relevance of the study, including the analysis of fuel and energy complex of Canada, is due to the fact that such comparison and synthesis of data on the amount of recoverable oil reserves, the volume of its production, imports, exports and transit of oil and oil products, the distribution of oil for transportation (via pipelines, rail, sea, road, strategic oil field, refining and transportation of oil and oil products development projects, as well as implementation of Canada's best practices in the Russian Federation, is being developed for the first time. In addition, the data given in previously published articles on the subject, due to the dynamic development of the industry, are obsolete and do not reflect the real situation.

  13. Linear Prediction Using Refined Autocorrelation Function

    Directory of Open Access Journals (Sweden)

    M. Shahidur Rahman

    2007-07-01

    Full Text Available This paper proposes a new technique for improving the performance of linear prediction analysis by utilizing a refined version of the autocorrelation function. Problems in analyzing voiced speech using linear prediction occur often due to the harmonic structure of the excitation source, which causes the autocorrelation function to be an aliased version of that of the vocal tract impulse response. To estimate the vocal tract characteristics accurately, however, the effect of aliasing must be eliminated. In this paper, we employ homomorphic deconvolution technique in the autocorrelation domain to eliminate the aliasing effect occurred due to periodicity. The resulted autocorrelation function of the vocal tract impulse response is found to produce significant improvement in estimating formant frequencies. The accuracy of formant estimation is verified on synthetic vowels for a wide range of pitch frequencies typical for male and female speakers. The validity of the proposed method is also illustrated by inspecting the spectral envelopes of natural speech spoken by high-pitched female speaker. The synthesis filter obtained by the current method is guaranteed to be stable, which makes the method superior to many of its alternatives.

  14. Design of Grain Refiners for Aluminium Alloys

    Science.gov (United States)

    Tronche, A.; Greer, A. L.

    The efficiency of a grain refiner can be quantified as the number of grains per nucleant particle in the solidified product. Even for effective refiners in aluminium, such as Al-5Ti-1B, it is known from experiments that efficiencies are very low, at best 10-3 to 102. It is of interest to explore the reasons for such low values, and to assess the prospects for increased efficiency though design of refiners. Recently it has been shown [1] that a simple recalescence-based model can make quantitative predictions of grain size as a function of refiner addition level, cooling rate and solute content. In the model, the initiation of grains is limited by the free growth from nucleant particles, the size distribution of which is very important. The present work uses this model as the basis for discussing the effect of particle size distribution on grain refiner performance. Larger particles (of TiB2 in the case of present interest) promote greater efficiency, as do narrower size distributions. It is shown that even if the size distribution could be exactly specified, compromises would have to be made to balance efficiency (defined as above) with other desirable characteristics of a refiner.

  15. Refining of yellow cake by solvent extraction. Pakistan status report

    International Nuclear Information System (INIS)

    Yunus, M.; Muzaffar, A.; Qureshi, M.T.; Qazi, N.K.; Khan, J.R.; Chughtai, N.A.; Zaidi, S.M.H.

    1980-01-01

    The paper describes the pilot-plant studies made at the Pakistan Institute of Nuclear Science and Technology, Rawalpindi, on refining yellow cake. The process units mainly consist of digestion and filtration, solvent extraction, precipitation and filtration, and calcining and reduction. Extraction parameters, such as free acidity in terms of nitrate ion concentration, throughputs and AF index, have been studied in some detail. Product of satisfactory chemical purity, as confirmed by spectrochemical analysis, was produced by this method. (author)

  16. Nucleation mechanisms of refined alpha microstructure in beta titanium alloys

    Science.gov (United States)

    Zheng, Yufeng

    . Therefore, the nucleation mechanisms proposed could successfully explain the features of refined and super-refined precipitates microstructure in Ti-5553, validated by thermodynamic calculations and phase field modeling simulation. In addition to the study of microstructure evolution in beta titanium alloys upon various heat treatment conditions, another effort made in the current study is to apply various phase transformation analysis tools on titanium alloys in order to capture the initial stage of precipitation and investigate the kinetics of precipitation. Especially Electro-Thermo-Mechanical Tester (ETMT) is used to in-situ measure the physical properties change of Ti-5553 during heat treatment and therefore analyze the kinetics of phase transformation. This part of work can be treated as complementary work of the study of microstructure evolution in beta titanium alloys. In summary, refined and super-refined precipitates microstructure in Ti-5553 are studied using both modern characterization techniques and computational simulation. Nucleation mechanisms are proposed to explain all the features of two specific microstructures and critical heat treatment conditions are figured out. Therefore, this insightful study is not only beneficial to understanding the details of phase transformation in the scientific aspect but also complement to selection of heat treatment conditions in industry area.

  17. Modeling Languages Refine Vehicle Design

    Science.gov (United States)

    2009-01-01

    Cincinnati, Ohio s TechnoSoft Inc. is a leading provider of object-oriented modeling and simulation technology used for commercial and defense applications. With funding from Small Business Innovation Research (SBIR) contracts issued by Langley Research Center, the company continued development on its adaptive modeling language, or AML, originally created for the U.S. Air Force. TechnoSoft then created what is now known as its Integrated Design and Engineering Analysis Environment, or IDEA, which can be used to design a variety of vehicles and machinery. IDEA's customers include clients in green industries, such as designers for power plant exhaust filtration systems and wind turbines.

  18. Chinese refining capacity for Canadian heavy oil

    International Nuclear Information System (INIS)

    Bruce, G.W.

    2006-01-01

    This paper discussed China's refining capacity in relation to exports of Canadian heavy oil. Demand for oil is increasing throughout the world, and China is expected to consume 25 per cent of the projected yearly oil supplies. Alberta currently has an estimated 174 billion barrels of recoverable bitumen, and produces 1.06 million barrels per day. Production is expected to increase to 4.5 million barrels per day by the year 2020. Currently bitumen blends are refined and diluted with naphtha and sweet synthetic crude oil. Bitumen is a challenging feedstock for refineries, and requires thermal production methods or gasification processes. Primary conversion into sour synthetic crude is typically followed by hydrocracking and further refining into finished petroleum products. There are currently 50 refineries in China with a 7.4 million barrel per day capacity. Coastal refineries using imported crude oil have a 4 million barrel per day capacity. New facilities are being constructed and existing plants are being upgraded in order to process heavier and more sour crude oils. However, current refining capabilities in Chinese refineries have a limited ability for resid conversion. It was concluded that while China has a refining infrastructure, only refineries on the coast will use oil sands-derived feedstocks. However, there are currently opportunities to design refineries to match future feedstocks. tabs., figs

  19. The evolution of oil refining in Europe

    Energy Technology Data Exchange (ETDEWEB)

    Reid, A. [CONCAWE, Brussels (Belgium)

    2013-04-01

    Back in 1963 when CONCAWE was founded, the world looked very different from what it is today, and so did the global and European refining industry. Oil product markets were expanding fast and new refineries were being built at a steady rate. The oil crisis of the 1970s brought an abrupt end to this, heralding a long era of consolidation and stepwise adaptation. At the same time the nature of the global oil business shifted from fully integrated companies producing, transporting and refining their own oil to a much more diversified situation where oil production ('upstream') and refining/distribution ('downstream') gradually became two essentially separate businesses. From being purely a 'cost centre' in an integrated chain, refining has become a separate activity in its own right, operating as a 'profit centre' between two global markets - crude oil and products - which, although not entirely independent, have their own dynamics and influences. In addition demand gradually shifted towards lighter products while the quality requirements on all products were considerably tightened. This article explores the new challenges that these changes have imposed on EU refiners, and describes CONCAWE's contributions to understanding their impact on refinery production and investments.

  20. Grain refinement mechanism in A3003 alloy

    International Nuclear Information System (INIS)

    Cho, Hoon; Shin, Je-Sik; Lee, Byoung-Soo; Jo, Hyung-Ho

    2009-01-01

    In the present study, in order to find out an grain refinement mechanism, 0.1wt.% Al-10wt.%Ti master alloy was added into A3003 alloy melt contained in graphite crucible and in alumina crucible, and then the melt holding time at 750 deg. C was systematically changed from 1 min up to 120 min. It is interesting to note that the grain refinement and fading phenomena remarkably depend on the crucible material. The fading effect in the specimens using alumina crucible can be explained as the result of TiAl 3 phase dissolution into molten aluminium matrix. In the specimens using graphite crucible, the grain refinement was occurred gradually with increasing holding time. It was suggest that the continuous grain refinement is due to transition of refinement mechanism from TiAl 3 phase to TiC phase. It can be mentioned that the TiC formed from titanium and carbon solute in the aluminium melt, which came from the Al-10Ti alloy and the graphite crucible.

  1. ESTUDIO DE LAS FASES MINERALÓGICAS DEL CLÍNKER EN UNA CEMENTERA ESPAÑOLA, UTILIZANDO EL MÉTODO DE RIETVELD

    Directory of Open Access Journals (Sweden)

    ANA M. CASTAÑÓN

    2012-01-01

    Full Text Available Con el objetivo de implantar un método de control de calidad de forma continua en una fábrica de cementos española, para mejorar las características del producto final, se están desarrollando nuevas metodologías de caracterización. El método de Rietveld [1] se ha utilizado con éxito para analizar la composición de las fases principales del clínker. Utilizando esta metodología, se ha llevado a cabo un estudio para cuantificar adecuadamente la fase minoritaria de Cal Libre, de gran importancia en la calidad del clínker. El método ha permitido obtener unos resultados satisfactorios en muestras cuyos contenidos superan el 3% de CaO. Estos resultados son posibles combinando adecuadamente las técnicas de difracción y fluorescencia de rayos-X, así como los resultados del análisis por vía química.

  2. Assume-Guarantee Abstraction Refinement Meets Hybrid Systems

    Science.gov (United States)

    Bogomolov, Sergiy; Frehse, Goran; Greitschus, Marius; Grosu, Radu; Pasareanu, Corina S.; Podelski, Andreas; Strump, Thomas

    2014-01-01

    Compositional verification techniques in the assume- guarantee style have been successfully applied to transition systems to efficiently reduce the search space by leveraging the compositional nature of the systems under consideration. We adapt these techniques to the domain of hybrid systems with affine dynamics. To build assumptions we introduce an abstraction based on location merging. We integrate the assume-guarantee style analysis with automatic abstraction refinement. We have implemented our approach in the symbolic hybrid model checker SpaceEx. The evaluation shows its practical potential. To the best of our knowledge, this is the first work combining assume-guarantee reasoning with automatic abstraction-refinement in the context of hybrid automata.

  3. India's refining prospects linked to economic growth

    International Nuclear Information System (INIS)

    Lewis, E.

    1996-01-01

    International investors assess refining ventures in India the same way they do comparable projects elsewhere in the world: according to their expectations about investment returns. By that standard, India's appeal is mixed, although its need for some measure of additional refining capacity seems certain. The success of future refinery investments will depend heavily on the government's commitment to policies allowing the economy to grow faster than the population. Unless accompanied by economic growth, expected increases in the population will not automatically raise demand for petroleum products. Decisions about investments in India's refining sector, therefore, must carefully weigh market fundamentals, the business environment, and likely investment performance. This paper reviews the market for the various products and predicts new economic trends

  4. Creativity: a refinement of the concept for nursing practice.

    Science.gov (United States)

    Fasnacht, Patsy H

    2003-01-01

    This paper seeks to remove some of the ambiguity surrounding the conceptual meaning of creativity using techniques of concept refinement to advance the concept. Creativity is an essential component of nursing practice that occurs daily in nurse's interactions with clients, families and other nurses. Failure to acknowledge and encourage creativity in beginning nurses may hinder future development and innovations in nursing practice and in nursing science. In order to promote the development of creativity it is first necessary to clarify and refine the concept as it applies to nursing. A comprehensive review of a variety of computer and online databases resulted in thousands of articles on creativity between the years 1966 and 1999. The final sample (n = 48) was obtained using both stratified random and purposive sampling techniques. A content analysis of the literature was conducted using methods identified by Morse and illustrated in the work of Hupcey et al. Having determined the concept to be partially mature, the concept was advanced using techniques of concept refinement. Content analysis of the literature yielded three differing definitions for creativity: revelation, birth and reincarnation. Creativity occurs in the presence of intrinsic motivation and a nurturing environment. While value is often used to identify whether a product is creative, the value of the product cannot determine whether the process has occurred. The product produced determines evidence of the process of creativity. Limitations of this investigation are the use of secondary sources and the relatively small sample size (n = 48). Refinement of the concept of creativity indicates that it is a process that may be developed and influenced by the environment and is recognized by the product produced. Further investigation is needed to explore methods and techniques for developing creativity in nursing.

  5. Zone refining high-purity germanium

    International Nuclear Information System (INIS)

    Hubbard, G.S.; Haller, E.E.; Hansen, W.L.

    1977-10-01

    The effects of various parameters on germanium purification by zone refining have been examined. These parameters include the germanium container and container coatings, ambient gas and other operating conditions. Four methods of refining are presented which reproducibly yield 3.5 kg germanium ingots from which high purity (vertical barN/sub A/ - N/sub D/vertical bar less than or equal to2 x 10 10 cm -3 ) single crystals can be grown. A qualitative model involving binary and ternary complexes of Si, O, B, and Al is shown to account for the behavior of impurities at these low concentrations

  6. Adaptive mesh refinement for storm surge

    KAUST Repository

    Mandli, Kyle T.; Dawson, Clint N.

    2014-01-01

    An approach to utilizing adaptive mesh refinement algorithms for storm surge modeling is proposed. Currently numerical models exist that can resolve the details of coastal regions but are often too costly to be run in an ensemble forecasting framework without significant computing resources. The application of adaptive mesh refinement algorithms substantially lowers the computational cost of a storm surge model run while retaining much of the desired coastal resolution. The approach presented is implemented in the GeoClaw framework and compared to ADCIRC for Hurricane Ike along with observed tide gauge data and the computational cost of each model run. © 2014 Elsevier Ltd.

  7. Refining - Panorama 2008; Raffinage - Panorama 2008

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2008-07-01

    Investment rallied in 2007, and many distillation and conversion projects likely to reach the industrial stage were announced. With economic growth sustained in 2006 and still pronounced in 2007, oil demand remained strong - especially in emerging countries - and refining margins stayed high. Despite these favorable business conditions, tensions persisted in the refining sector, which has fallen far behind in terms of investing in refinery capacity. It will take renewed efforts over a long period to catch up. Looking at recent events that have affected the economy in many countries (e.g. the sub-prime crisis), prudence remains advisable.

  8. India beckons participants in burgeoning refining sector

    International Nuclear Information System (INIS)

    Anon.

    1992-01-01

    This paper reports that India has opened its refining sector to full private investment for the first time in more than 2 decades. The government again gave a green light to construction of three 120,000 b/d grassroots refineries in East, West, and Central India. The projects had won various governmental approvals in the past few years, but never moved off high center for a variety of economic and regulatory reasons. The difference this time is that the government is offering interests in the projects to private foreign and domestic investors. It's part of India's push to boost overall refining capacity by more than 80% this century

  9. Adaptive mesh refinement for storm surge

    KAUST Repository

    Mandli, Kyle T.

    2014-03-01

    An approach to utilizing adaptive mesh refinement algorithms for storm surge modeling is proposed. Currently numerical models exist that can resolve the details of coastal regions but are often too costly to be run in an ensemble forecasting framework without significant computing resources. The application of adaptive mesh refinement algorithms substantially lowers the computational cost of a storm surge model run while retaining much of the desired coastal resolution. The approach presented is implemented in the GeoClaw framework and compared to ADCIRC for Hurricane Ike along with observed tide gauge data and the computational cost of each model run. © 2014 Elsevier Ltd.

  10. Contextual Distance Refining for Image Retrieval

    KAUST Repository

    Islam, Almasri

    2014-01-01

    Recently, a number of methods have been proposed to improve image retrieval accuracy by capturing context information. These methods try to compensate for the fact that a visually less similar image might be more relevant because it depicts the same object. We propose a new quick method for refining any pairwise distance metric, it works by iteratively discovering the object in the image from the most similar images, and then refine the distance metric accordingly. Test show that our technique improves over the state of art in terms of accuracy over the MPEG7 dataset.

  11. Russian refining - an industry in transition

    Energy Technology Data Exchange (ETDEWEB)

    Barrett, E [CentreInvest, Moscow (Russian Federation)

    1999-02-01

    In the old Soviet Union (now called the CIS), the refining industry is undergoing much modernisation, although the process is far from complete. Eventually, the CIS is expected to have a market-responsive competitive refining business. The expected transformation is discussed according to a five-stage plan. The stages are (i) the change from horizontally integrated entity to vertically integrated global concerns, (ii) the change from over-manned dinosaurs to modern efficient businesses, (iii) the move towards smaller, more advanced market-orientated processes, (iv) improving the transport and storage infrastructures and (v) improving accountability and profitability. The predictions for 2005 onwards are for sustained profitability. (UK)

  12. Contextual Distance Refining for Image Retrieval

    KAUST Repository

    Islam, Almasri

    2014-09-16

    Recently, a number of methods have been proposed to improve image retrieval accuracy by capturing context information. These methods try to compensate for the fact that a visually less similar image might be more relevant because it depicts the same object. We propose a new quick method for refining any pairwise distance metric, it works by iteratively discovering the object in the image from the most similar images, and then refine the distance metric accordingly. Test show that our technique improves over the state of art in terms of accuracy over the MPEG7 dataset.

  13. The formation and structure of mechano-synthesized nanocrystalline Sr{sub 3}Fe{sub 2}O{sub 6.4}: XRD Rietveld, Mössabuer and XPS analyses

    Energy Technology Data Exchange (ETDEWEB)

    Al-Rawas, A.D., E-mail: arawas@squ.edu.om [Department of Physics, Sultan Qaboos University, P.O. Box 36, 123 Al-Khoud, Muscat (Oman); Widatallah, H.M.; Al-Harthi, S.H. [Department of Physics, Sultan Qaboos University, P.O. Box 36, 123 Al-Khoud, Muscat (Oman); Johnson, C. [Chemistry Department, Open University, Walton Hall, Milton Keynes MK7 6AA (United Kingdom); Gismelseed, A.M.; Elzain, M.E.; Yousif, A.A. [Department of Physics, Sultan Qaboos University, P.O. Box 36, 123 Al-Khoud, Muscat (Oman)

    2015-05-15

    Highlights: • The formation of mechano-synthesized nanocrystalline Sr{sub 3}Fe{sub 2}O{sub 7−δ} is investigated. • Pre-milling the reactants substantially lowers the formation temperature. • The core and surface structures were studied. • XRD and {sup 57}Fe Mössbauer spectroscopic analyses indicate the δ-value to be 0.60. • XPS shows a complex surface structure for the mechanosynthesized Sr{sub 3}Fe{sub 2}O{sub 7−δ} nanoparticles. - Abstract: The influence of ball milling and subsequent sintering of a 3:1 molar mixture of SrCO{sub 3} and α-Fe{sub 2}O{sub 3} on the formation of Sr{sub 3}Fe{sub 2}O{sub 7−δ} double perovskite is investigated with different analytical techniques. Milling the mixture for 110 h leads to the formation of SrCO{sub 3}-α-Fe{sub 2}O{sub 3} nanocomposites and the structural deformation of α-Fe{sub 2}O{sub 3} via the incorporation of Sr{sup 2+} ions. Subsequent sintering of the pre-milled reactants’ mixture has led to the partial formation of an SrFeO{sub 3} perovskite-related phase in the temperature range 400–600 °C. This was followed by the progressive development of an Sr{sub 3}Fe{sub 2}O{sub 7−δ} phase that continued to increase with increasing sintering temperature until a single-phased nanocrystalline Sr{sub 3}Fe{sub 2}O{sub 7−δ} phase was attained at 950 °C (12 h). This temperature is ∼350 °C lower than the temperature at which the material is prepared conventionally using the ceramic method. The evolution of different structural phases during the reaction process is discussed. Rietveld refinement of the X-ray diffraction data shows a value of 0.60 for the oxygen deficiency δ, in consistency with the Fe{sup 3+}/Fe{sup 4+} ratio derived from the {sup 57}Fe Mössbauer data recorded at both 300 K and 78 K. The Mössbauer data suggests that the Sr{sub 3}Fe{sub 2}O{sub 6.4} nanoparticles are superparamagnetic with blocking temperatures below 78 K. The surfaces of the Sr{sub 3}Fe{sub 2}O{sub 6

  14. Pilot scale refinning of crude soybean oil | Mensah | Journal of ...

    African Journals Online (AJOL)

    Pilot scale refinning of crude soybean oil. ... Abstract. A laboratory process for refining soybean has been scaled up to a 145 tonne per annum pilot plant to refine crude soybean oil. ... The quality of the refined oil was found to be within national and codex standard specifications for edible oil from vegetable sources.

  15. i3Drefine software for protein 3D structure refinement and its assessment in CASP10.

    Science.gov (United States)

    Bhattacharya, Debswapna; Cheng, Jianlin

    2013-01-01

    Protein structure refinement refers to the process of improving the qualities of protein structures during structure modeling processes to bring them closer to their native states. Structure refinement has been drawing increasing attention in the community-wide Critical Assessment of techniques for Protein Structure prediction (CASP) experiments since its addition in 8(th) CASP experiment. During the 9(th) and recently concluded 10(th) CASP experiments, a consistent growth in number of refinement targets and participating groups has been witnessed. Yet, protein structure refinement still remains a largely unsolved problem with majority of participating groups in CASP refinement category failed to consistently improve the quality of structures issued for refinement. In order to alleviate this need, we developed a completely automated and computationally efficient protein 3D structure refinement method, i3Drefine, based on an iterative and highly convergent energy minimization algorithm with a powerful all-atom composite physics and knowledge-based force fields and hydrogen bonding (HB) network optimization technique. In the recent community-wide blind experiment, CASP10, i3Drefine (as 'MULTICOM-CONSTRUCT') was ranked as the best method in the server section as per the official assessment of CASP10 experiment. Here we provide the community with free access to i3Drefine software and systematically analyse the performance of i3Drefine in strict blind mode on the refinement targets issued in CASP10 refinement category and compare with other state-of-the-art refinement methods participating in CASP10. Our analysis demonstrates that i3Drefine is only fully-automated server participating in CASP10 exhibiting consistent improvement over the initial structures in both global and local structural quality metrics. Executable version of i3Drefine is freely available at http://protein.rnet.missouri.edu/i3drefine/.

  16. i3Drefine Software for Protein 3D Structure Refinement and Its Assessment in CASP10

    Science.gov (United States)

    Bhattacharya, Debswapna; Cheng, Jianlin

    2013-01-01

    Protein structure refinement refers to the process of improving the qualities of protein structures during structure modeling processes to bring them closer to their native states. Structure refinement has been drawing increasing attention in the community-wide Critical Assessment of techniques for Protein Structure prediction (CASP) experiments since its addition in 8th CASP experiment. During the 9th and recently concluded 10th CASP experiments, a consistent growth in number of refinement targets and participating groups has been witnessed. Yet, protein structure refinement still remains a largely unsolved problem with majority of participating groups in CASP refinement category failed to consistently improve the quality of structures issued for refinement. In order to alleviate this need, we developed a completely automated and computationally efficient protein 3D structure refinement method, i3Drefine, based on an iterative and highly convergent energy minimization algorithm with a powerful all-atom composite physics and knowledge-based force fields and hydrogen bonding (HB) network optimization technique. In the recent community-wide blind experiment, CASP10, i3Drefine (as ‘MULTICOM-CONSTRUCT’) was ranked as the best method in the server section as per the official assessment of CASP10 experiment. Here we provide the community with free access to i3Drefine software and systematically analyse the performance of i3Drefine in strict blind mode on the refinement targets issued in CASP10 refinement category and compare with other state-of-the-art refinement methods participating in CASP10. Our analysis demonstrates that i3Drefine is only fully-automated server participating in CASP10 exhibiting consistent improvement over the initial structures in both global and local structural quality metrics. Executable version of i3Drefine is freely available at http://protein.rnet.missouri.edu/i3drefine/. PMID:23894517

  17. Refining the Eye: Dermatology and Visual Literacy

    Science.gov (United States)

    Zimmermann, Corinne; Huang, Jennifer T.; Buzney, Elizabeth A.

    2016-01-01

    In 2014 the Museum of Fine Arts Boston and Harvard Medical School began a partnership focused on building visual literacy skills for dermatology residents in the Harvard Combined Dermatology Residency Program. "Refining the Eye: Art and Dermatology", a four session workshop, took place in the museum's galleries and utilized the Visual…

  18. Structural refinement and coarsening in deformed metals

    DEFF Research Database (Denmark)

    Hansen, N.; Huang, X.; Xing, Q.

    2005-01-01

    The microstructural refinement by plastic deformation is analysed in terms of key parameters, the spacing between and the misorientation angle across the boundaries subdividing the structure. Coarsening of such structures by annealing is also characterised. For both deformed and annealed structur...

  19. Oil refining expansion criteria for Brazil

    International Nuclear Information System (INIS)

    Tavares, M.E.E.; Szklo, A.S.; Machado, G.V.; Schaeffer, R.; Mariano, J.B.; Sala, J.F.

    2006-01-01

    This paper assesses different strategies for the expansion of Brazil's oil refining segment, using criteria that range from energy security (reducing imports and vulnerability for key products) through to maximizing the profitability of this sector (boosting the output of higher value oil products) and adding value to Brazil's oil production (reducing exports of heavy acid oil). The development prospects are analyzed for conventional fuel production technology routes, sketching out three possible refining schemes for Brazilian oil and a GTL plant for producing gasoil from natural gas. Market scenario simulations indicate that investments will be required in Brazil's oil refining segment over and above those allocated to planned modifications in its current facilities, reducing the nation's vulnerability in terms of gasoil and petrochemical naphtha imports. Although not economically attractive, oil refining is a key activity that is crucial to oil company strategies. The decision to invest in this segment depends on local infrastructure conditions, environmental constraints and fuel specifications, in addition to oil company strategies, steady growth in demand and the definition of a government policy that eases institutional risks. (author)

  20. Oil refining expansion criteria for Brazil

    International Nuclear Information System (INIS)

    Tavares, Marina Elisabete Espinho; Szklo, Alexandre Salem; Machado, Giovani Vitoria; Schaeffer, Roberto; Mariano, Jacqueline Barboza; Sala, Janaina Francisco

    2006-01-01

    This paper assesses different strategies for the expansion of Brazil's oil refining segment, using criteria that range from energy security (reducing imports and vulnerability for key products) through to maximizing the profitability of this sector (boosting the output of higher value oil products) and adding value to Brazil's oil production (reducing exports of heavy acid oil). The development prospects are analyzed for conventional fuel production technology routes, sketching out three possible refining schemes for Brazilian oil and a GTL plant for producing gasoil from natural gas. Market scenario simulations indicate that investments will be required in Brazil's oil refining segment over and above those allocated to planned modifications in its current facilities, reducing the nation's vulnerability in terms of gasoil and petrochemical naphtha imports. Although not economically attractive, oil refining is a key activity that is crucial to oil company strategies. The decision to invest in this segment depends on local infrastructure conditions, environmental constraints and fuel specifications, in addition to oil company strategies, steady growth in demand and the definition of a government policy that eases institutional risks

  1. On Syntactic and Semantic Action Refinement

    NARCIS (Netherlands)

    Goltz, Ursula; Gorrieri, Roberto; Rensink, Arend

    1992-01-01

    The semantic definition of action refinement on labelled event structures is compared with the notion of syntactic substitution,which can be used as another notion of action refiment in a process algebraic setting. This is done by studying a process algebra equipped with the ACP sequential

  2. Uranium refining process using ion exchange membrane

    International Nuclear Information System (INIS)

    Yamaguchi, Akira

    1977-01-01

    As for the method of refining uranium ore being carried out in Europe and America at present, uranium ore is roughly refined at the mine sites to yellow cake, then this is transported to refineries and refined by dry method. This method has the following faults, namely the number of processes is large, it requires expensive corrosion-resistant materials because of high temperature treatment, and the impurities in uranium tend to increase. On the other hand, in case of EXCER method, treatment is carried out at low temperature, and high purity uranium can be obtained, but the efficiency of electrolytic reduction process is extremely low, and economically infeasible. In the wet refining method called PNC process, uranium tetrafluoride is produced from uranium ore without making yellow cake, therefore the process is rationalized largely, and highly economical. The electrolytic reduction process in this method was developed by Asahi Chemical Industry Co., Ltd. by constructing the pilot plant in Ningyotoge Mine. The ion exchange membrane, the electrodes, and the problems concerning the process and the engineering for commercial plants were investigated. The electrolytic reduction process, the pilot plant, the development of the elements of electrolytic cells, the establishment of analytical process, the measurement of the electrolytic characteristics, the demonstration operation, and the life time of the electrolytic diaphragm are reported. (Kako, I.)

  3. Anomalies in the refinement of isoleucine

    NARCIS (Netherlands)

    Berntsen, K.R.M.; Vriend, G.

    2014-01-01

    A study of isoleucines in protein structures solved using X-ray crystallography revealed a series of systematic trends for the two side-chain torsion angles chi1 and chi2 dependent on the resolution, secondary structure and refinement software used. The average torsion angles for the nine rotamers

  4. Refining crude oils and gasolines, etc

    Energy Technology Data Exchange (ETDEWEB)

    1931-11-23

    A process of refining crude oils and gasolines distilled from shale and the like is described, consisting of submitting them to a prewash with soda, an oxidation preferably with hypochlorite solution, a hydrogenation with nascent hydrogen, and finally rectification and neutralization.

  5. Refinement from a control problem to program

    DEFF Research Database (Denmark)

    Schenke, Michael; Ravn, Anders P.

    1996-01-01

    The distinguishing feature of the presented refinement approach is that it links formalisms from a top level requirements notation down to programs together in a mathematically coherent development trajectory. The approach uses Duration Calculus, a real-time interval logic, to specifyrequirements...

  6. Robust Refinement as Implemented in TOPAS

    Energy Technology Data Exchange (ETDEWEB)

    Stone, K.; Stephens, P

    2010-01-01

    A robust refinement procedure is implemented in the program TOPAS through an iterative reweighting of the data. Examples are given of the procedure as applied to fitting partially overlapped peaks by full and partial models and also of the structures of ibuprofen and acetaminophen in the presence of unmodeled impurity contributions

  7. Quantum Geometry of Refined Topological Strings

    NARCIS (Netherlands)

    Aganagic, M.; Cheng, M.C.N.; Dijkgraaf, R.; Kreft, D.; Vafa, C.

    2012-01-01

    We consider branes in refined topological strings. We argue that their wavefunctions satisfy a Schrödinger equation depending on multiple times and prove this in the case where the topological string has a dual matrix model description. Furthermore, in the limit where one of the equivariant

  8. Red refinements of simplices into congruent subsimplices

    Czech Academy of Sciences Publication Activity Database

    Korotov, S.; Křížek, Michal

    2014-01-01

    Roč. 67, č. 12 (2014), s. 2199-2204 ISSN 0898-1221 R&D Projects: GA ČR GA14-02067S Institutional support: RVO:67985840 Keywords : sommerville tetrahedron * red refinement * higher-dimensional simplex Subject RIV: BA - General Mathematics Impact factor: 1.697, year: 2014 http://www.sciencedirect.com/science/article/pii/S0898122114000662

  9. Analysis and development of spatial hp-refinement methods for solving the neutron transport equation; Analyse et developpement de methodes de raffinement hp en espace pour l'equation de transport des neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Fournier, D.

    2011-10-10

    The different neutronic parameters have to be calculated with a higher accuracy in order to design the 4. generation reactor cores. As memory storage and computation time are limited, adaptive methods are a solution to solve the neutron transport equation. The neutronic flux, solution of this equation, depends on the energy, angle and space. The different variables are successively discretized. The energy with a multigroup approach, considering the different quantities to be constant on each group, the angle by a collocation method called SN approximation. Once the energy and angle variable are discretized, a system of spatially-dependent hyperbolic equations has to be solved. Discontinuous finite elements are used to make possible the development of hp-refinement methods. Thus, the accuracy of the solution can be improved by spatial refinement (h-refinement), consisting into subdividing a cell into sub-cells, or by order refinement (p-refinement), by increasing the order of the polynomial basis. In this thesis, the properties of this methods are analyzed showing the importance of the regularity of the solution to choose the type of refinement. Thus, two error estimators are used to lead the refinement process. Whereas the first one requires high regularity hypothesis (analytical solution), the second one supposes only the minimal hypothesis required for the solution to exist. The comparison of both estimators is done on benchmarks where the analytic solution is known by the method of manufactured solutions. Thus, the behaviour of the solution as a regard of the regularity can be studied. It leads to a hp-refinement method using the two estimators. Then, a comparison is done with other existing methods on simplified but also realistic benchmarks coming from nuclear cores. These adaptive methods considerably reduces the computational cost and memory footprint. To further improve these two points, an approach with energy-dependent meshes is proposed. Actually, as the

  10. Studies on the sedimentation and agglomeration behavior of Al-Ti-B and Al-Ti-C grain refiners

    Energy Technology Data Exchange (ETDEWEB)

    Gazanion, F.; Chen, X.G.; Dupuis, C. [Alcan International Ltd., Jonquiere, PQ (Canada). Arvida Research and Development Centre

    2002-07-01

    The sedimentation and agglomeration behavior of Al-Ti-B and Al-Ti-C grain refiners in liquid aluminum has been investigated using the LiMCA and PoDFA analysis techniques in combination with metallographic examination. The widely used Al-5%Ti-1%B and Al-3%Ti-0.15%C master alloys were chosen. Two aluminum alloys, an AAlxxx (commercially pure metal) and an AA5182 (Al-4.5%Mg) alloy, were prepared with different additions of grain refiners. The difference in particle behavior in liquid aluminum for both refiners is described and briefly analyzed in terms of sensitivity to agglomeration and grain refiner performance. Experimental results indicate that, in comparison with the Al-Ti-B refiner, the Al-Ti-C refiner is detrimentally affected by long holding periods due to the decomposition of TiC particles within the melt. (orig.)

  11. Interactive visual exploration and refinement of cluster assignments.

    Science.gov (United States)

    Kern, Michael; Lex, Alexander; Gehlenborg, Nils; Johnson, Chris R

    2017-09-12

    With ever-increasing amounts of data produced in biology research, scientists are in need of efficient data analysis methods. Cluster analysis, combined with visualization of the results, is one such method that can be used to make sense of large data volumes. At the same time, cluster analysis is known to be imperfect and depends on the choice of algorithms, parameters, and distance measures. Most clustering algorithms don't properly account for ambiguity in the source data, as records are often assigned to discrete clusters, even if an assignment is unclear. While there are metrics and visualization techniques that allow analysts to compare clusterings or to judge cluster quality, there is no comprehensive method that allows analysts to evaluate, compare, and refine cluster assignments based on the source data, derived scores, and contextual data. In this paper, we introduce a method that explicitly visualizes the quality of cluster assignments, allows comparisons of clustering results and enables analysts to manually curate and refine cluster assignments. Our methods are applicable to matrix data clustered with partitional, hierarchical, and fuzzy clustering algorithms. Furthermore, we enable analysts to explore clustering results in context of other data, for example, to observe whether a clustering of genomic data results in a meaningful differentiation in phenotypes. Our methods are integrated into Caleydo StratomeX, a popular, web-based, disease subtype analysis tool. We show in a usage scenario that our approach can reveal ambiguities in cluster assignments and produce improved clusterings that better differentiate genotypes and phenotypes.

  12. Layered Metal Hydroxides Containing Calcium and Their Structural Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Tae Hyun; Heo, Il; Lee, Sung Han; Oh, Jae Min [College of Science and Technology, Yonsei University, Wonju (Korea, Republic of); Paek, Seung Min [Kyungpook National University, Daegu (Korea, Republic of); Park, Chung Berm; Choi, Ae Jin [National Institute of Horticultural and Herbal Science of R and D Eumseong (Korea, Republic of); Choy, Jin Ho [Ewha Womans University, Seoul (Korea, Republic of)

    2012-06-15

    Layered metal hydroxides (LMHs) containing calcium were synthesized by coprecipitation in solution having two different trivalent metal ions, iron and aluminum. Two mixed metal solutions (Ca{sup 2+}/Al{sup 3+} and Ca{sup 2+}/Fe{sup 3+} = 2/1) were added to sodium hydroxide solution and the final pH was adjusted to {approx}11.5 and {approx}13 for CaAl-and CaFe-LMHs. Powder X-ray diffraction (XRD) for the two LMH samples showed well developed (00l) diffractions indicating 2-dimensional crystal structure of the synthesized LMHs. Rietveld refinement of the X-ray diffraction pattern, the local structure analysis through X-ray absorption spectroscopy, and thermal analysis also confirmed that the synthesized precipitates show typical structure of LMHs. The chemical formulae, Ca{sub 2.04}Al{sub 1}(OH){sub 6}(NO{sub 3}){center_dot}5.25H{sub 2}O and Ca{sub 2.01}Fe{sub 1}(OH){sub 6}(NO{sub 3}){center_dot}4.75H{sub 2}O were determined by inductively coupled plasma-atomic emission spectroscopy (ICP-AES). Particle morphology and thermal behavior for the synthesized LMHs were examined by field emission scanning electron microscopy and thermogravimetric differential scanning calorimetry

  13. Automata Learning through Counterexample Guided Abstraction Refinement

    DEFF Research Database (Denmark)

    Aarts, Fides; Heidarian, Faranak; Kuppens, Harco

    2012-01-01

    to a small set of abstract events that can be handled by automata learning tools. In this article, we show how such abstractions can be constructed fully automatically for a restricted class of extended finite state machines in which one can test for equality of data parameters, but no operations on data...... are allowed. Our approach uses counterexample-guided abstraction refinement: whenever the current abstraction is too coarse and induces nondeterministic behavior, the abstraction is refined automatically. Using Tomte, a prototype tool implementing our algorithm, we have succeeded to learn – fully......Abstraction is the key when learning behavioral models of realistic systems. Hence, in most practical applications where automata learning is used to construct models of software components, researchers manually define abstractions which, depending on the history, map a large set of concrete events...

  14. Refined reservoir description to maximize oil recovery

    International Nuclear Information System (INIS)

    Flewitt, W.E.

    1975-01-01

    To assure maximized oil recovery from older pools, reservoir description has been advanced by fully integrating original open-hole logs and the recently introduced interpretive techniques made available through cased-hole wireline saturation logs. A refined reservoir description utilizing normalized original wireline porosity logs has been completed in the Judy Creek Beaverhill Lake ''A'' Pool, a reefal carbonate pool with current potential productivity of 100,000 BOPD and 188 active wells. Continuous porosity was documented within a reef rim and cap while discontinuous porous lenses characterized an interior lagoon. With the use of pulsed neutron logs and production data a separate water front and pressure response was recognized within discrete environmental units. The refined reservoir description aided in reservoir simulation model studies and quantifying pool performance. A pattern water flood has now replaced the original peripheral bottom water drive to maximize oil recovery

  15. Cleaning Data with OpenRefine

    Directory of Open Access Journals (Sweden)

    Seth van Hooland

    2013-08-01

    Full Text Available Duplicate records, empty values and inconsistent formats are phenomena we should be prepared to deal with when using historical data sets. This lesson will teach you how to discover inconsistencies in data contained within a spreadsheet or a database. As we increasingly share, aggregate and reuse data on the web, historians will need to respond to data quality issues which inevitably pop up. Using a program called OpenRefine, you will be able to easily identify systematic errors such as blank cells, duplicates, spelling inconsistencies, etc. OpenRefine not only allows you to quickly diagnose the accuracy of your data, but also to act upon certain errors in an automated manner.

  16. Refined 3d-3d correspondence

    Energy Technology Data Exchange (ETDEWEB)

    Alday, Luis F.; Genolini, Pietro Benetti; Bullimore, Mathew; Loon, Mark van [Mathematical Institute, University of Oxford, Andrew Wiles Building,Radcliffe Observatory Quarter, Woodstock Road, Oxford, OX2 6GG (United Kingdom)

    2017-04-28

    We explore aspects of the correspondence between Seifert 3-manifolds and 3d N=2 supersymmetric theories with a distinguished abelian flavour symmetry. We give a prescription for computing the squashed three-sphere partition functions of such 3d N=2 theories constructed from boundary conditions and interfaces in a 4d N=2{sup ∗} theory, mirroring the construction of Seifert manifold invariants via Dehn surgery. This is extended to include links in the Seifert manifold by the insertion of supersymmetric Wilson-’t Hooft loops in the 4d N=2{sup ∗} theory. In the presence of a mass parameter for the distinguished flavour symmetry, we recover aspects of refined Chern-Simons theory with complex gauge group, and in particular construct an analytic continuation of the S-matrix of refined Chern-Simons theory.

  17. Government will shape China's refining boom

    International Nuclear Information System (INIS)

    Wang, H.

    1995-01-01

    China's refining system is undergoing a major overhaul. New refineries are being built as existing ones are upgraded and expanded. The success of refineries funded completely or partially by non-chinese companies will depend in part on Chinese government policy. There will be demand for products from third-party processing facilities, but hard current is necessary for the investors to repatriate profits and for china Petrochemical Corp. (Sinopec) to bid on the products from such facilities. The limited convertibility of chinese current constitutes a major central control over the country's entire economy. This control can be affected by limiting product exchange participants and the volumes to be traded. Such a limitation, however, will reduce access of non-Chinese companies to China's markets, and is not likely to occur in the next 10 years. The paper discusses the current situation in capacity and in refining, capacity, expansion, refinery planning, construction projects, third-party processing, and the prospects for change

  18. Computing Refined Buneman Trees in Cubic Time

    DEFF Research Database (Denmark)

    Brodal, G.S.; Fagerberg, R.; Östlin, A.

    2003-01-01

    Reconstructing the evolutionary tree for a set of n species based on pairwise distances between the species is a fundamental problem in bioinformatics. Neighbor joining is a popular distance based tree reconstruction method. It always proposes fully resolved binary trees despite missing evidence...... in the underlying distance data. Distance based methods based on the theory of Buneman trees and refined Buneman trees avoid this problem by only proposing evolutionary trees whose edges satisfy a number of constraints. These trees might not be fully resolved but there is strong combinatorial evidence for each...... proposed edge. The currently best algorithm for computing the refined Buneman tree from a given distance measure has a running time of O(n 5) and a space consumption of O(n 4). In this paper, we present an algorithm with running time O(n 3) and space consumption O(n 2). The improved complexity of our...

  19. Panorama 2016 - Refining outlook for 2035

    International Nuclear Information System (INIS)

    Marion, Pierre; Saint-Antonin, Valerie

    2015-12-01

    The rising influence of objectives intended to address the energy transition in global industry helps to perpetuate a high degree of uncertainty about changes in the transportation sector, currently a bastion of the oil industry. How can the growing need for individual mobility be met while reducing Greenhouse Gas (GHG) emissions in a world of open international competition? The refining sector is gaining strength in Asia and the Middle East to the detriment of Europe and North America, reflecting demand and the intrinsic competitiveness of various geographic regions. The 2025 worldwide roll-out (2020 in Europe) of a bunker fuel grade below 0.5 wt% (percentage by weight) in sulphur could experience delays, given the number of installations to be completed. Finally, the reversal of the 'all diesel' trend in the European transport market is a positive change for the European refining industry. (authors)

  20. The big shedding of the European refining

    International Nuclear Information System (INIS)

    Lepetit, V.

    2007-01-01

    Everywhere in Europe the oil companies are selling their refineries. Even if they work at full capacity, the interest of the European market is far below the one of Asia where demand is in full expansion and Middle-East where the raw matter is abundant. The world refining capacity is of 86 million barrel per day and should reach 106 million barrel per day in 2020. (J.S.)

  1. Refining Automatically Extracted Knowledge Bases Using Crowdsourcing

    OpenAIRE

    Li, Chunhua; Zhao, Pengpeng; Sheng, Victor S.; Xian, Xuefeng; Wu, Jian; Cui, Zhiming

    2017-01-01

    Machine-constructed knowledge bases often contain noisy and inaccurate facts. There exists significant work in developing automated algorithms for knowledge base refinement. Automated approaches improve the quality of knowledge bases but are far from perfect. In this paper, we leverage crowdsourcing to improve the quality of automatically extracted knowledge bases. As human labelling is costly, an important research challenge is how we can use limited human resources to maximize the quality i...

  2. Cleaning Data with OpenRefine

    OpenAIRE

    Seth van Hooland; Ruben Verborgh; Max De Wilde

    2013-01-01

    Duplicate records, empty values and inconsistent formats are phenomena we should be prepared to deal with when using historical data sets. This lesson will teach you how to discover inconsistencies in data contained within a spreadsheet or a database. As we increasingly share, aggregate and reuse data on the web, historians will need to respond to data quality issues which inevitably pop up. Using a program called OpenRefine, you will be able to easily identify systematic errors such as blank...

  3. Rare earths refining by vacuum sublimation method

    International Nuclear Information System (INIS)

    Rytus, N.N.

    1983-01-01

    The process of rare earths refining by the sUblimation; method in high and superhigh oil-free vacuum, is investigated. The method is effective for rare earths obtaining and permits to prepare metal samples with a high value of electric resistance ratio γ=RsUb(298 K)/Rsub(4.2 K). The estimation of general purity is performed for Sm, Eu, Yb, Tm, Dy, Ho, Er and Se

  4. Refined life-cycle assessment of polymer solar cells

    DEFF Research Database (Denmark)

    Lenzmann, F.; Kroon, J.; Andriessen, R.

    2011-01-01

    A refined life-cycle assessment of polymer solar cells is presented with a focus on critical components, i.e. the transparent conductive ITO layer and the encapsulation components. This present analysis gives a comprehensive sketch of the full environmental potential of polymer-OPV in comparison...... with other PV technologies. It is shown that on a m2 basis the environmental characteristics of polymer-OPV are highly beneficial, while on a watt-peak and on a kWh basis, these benefits are - at the current level of the development - still (over-)compensated by low module efficiency and limited lifetime...

  5. Procurement planning in oil refining industries considering blending operations

    DEFF Research Database (Denmark)

    Oddsdottir, Thordis Anna; Grunow, Martin; Akkerman, Renzo

    2013-01-01

    This paper addresses procurement planning in oil refining, which has until now only had limited attention in the literature. We introduce a mixed integer nonlinear programming (MINLP) model and develop a novel two-stage solution approach, which aims at computational efficiency while addressing...... parameters than in previous literature. The developed approach is tested using historical data from Statoil A/S as well as through a comprehensive numerical analysis. The approach generates a feasible procurement plan within acceptable computation time, is able to quickly adjust an existing plan to take...

  6. Refining of biodiesel by ceramic membrane separation

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yong; Ou, Shiyi; Tan, Yanlai; Tang, Shuze [Department of Food Science and Engineering, Jinan University, Guangzhou 510632 (China); Wang, Xingguo; Liu, Yuanfa [School of Food Science and Technology, Jiangnan University, Wuxi 214112 (China)

    2009-03-15

    A ceramic membrane separation process for biodiesel refining was developed to reduce the considerable usage of water needed in the conventional water washing process. Crude biodiesel produced by refined palm oil was micro-filtered by ceramic membranes of the pore size of 0.6, 0.2 and 0.1 {mu}m to remove the residual soap and free glycerol, at the transmembrane pressure of 0.15 MPa and temperature of 60 C. The flux through membrane maintained at 300 L m{sup -} {sup 2} h{sup -} {sup 1} when the volumetric concentrated ratio reached 4. The content of potassium, sodium, calcium and magnesium in the whole permeate was 1.40, 1.78, 0.81 and 0.20 mg/kg respectively, as determined by inductively coupled plasma-atomic emission spectroscopy. These values are lower than the EN 14538 specifications. The residual free glycerol in the permeate was estimated by water extraction, its value was 0.0108 wt.%. This ceramic membrane technology was a potential environmental process for the refining of biodiesel. (author)

  7. A Canadian refiner's perspective of synthetic crudes

    International Nuclear Information System (INIS)

    Halford, T.L.; McIntosh, A.P.; Rasmussen

    1997-01-01

    Some of the factors affecting a refiner's choice of crude oil include refinery hardware, particularly gas oil crackers, products slate and product specifications, crude availability, relative crude price and crude quality. An overview of synthetic crude, the use of synthetic crude combined with other crudes and a comparison of synthetic crude with conventional crude oil was given. The two main users of synthetic crude are basically two groups of refiners, those large groups who use synthetic crude combined with other crudes, and a smaller group who run synthetic crude on specially designed units as a sole feed. The effects of changes in fuel legislation were reviewed. It was predicted that the changes will have a mixed impact on the value of synthetic crude, but low sulphur diesel regulations and gasoline sulphur regulations will make current synthetic crudes attractive. The big future change with a negative impact will be diesel cetane increases to reduce engine emissions. This will reduce synthetic crude attractiveness due to distillate yields and quality and high gas oil yields. Similarly, any legislation limiting aromatics in diesel fuel will also make synthetic crudes less attractive. Problems experienced by refiners with hardware dedicated to synthetic crude (salt, naphthenic acid, fouling, quality variations) were also reviewed. 3 tabs

  8. Oil price scenarios and refining profitability

    International Nuclear Information System (INIS)

    Sweeney, B.

    1993-01-01

    Currently refining profitability is low because there has been an overbuilding of conversion capacity in Western Europe in the last round. Oil marketing, the chemicals business and the fundamental economy itself are at low points in their cycles which have not coincided, at least in the UK, since 1975. Against that gloomy background, it is predicted that downstream profitability will recover in the mid-1990s. Crude oil prices will remain low until the call on OPEC crude increases again and takes up the capacity which has been brought on stream in response to the Gulf War. When this happens, it is likely to trigger another price spike and another round of investment in production capacity. Environmentally driven investments in desulphurisation or emissions reduction will be poorly remunerated all the way through the value chain. Refining margins will recover when white oil demand growth tightens up the need for conversion capacity. Marketing will need to reduce the retail network overcapacity in the mature markets if it is to improve its profitability. In this period of low profitability, even with the light at the end of the tunnel for refiners in the middle of the decade, the industry structure is under threat. There is a strong argument for new modes of competitive behaviour which are backed by strong elements of cooperation. (author)

  9. Problems persist for French refining sector

    International Nuclear Information System (INIS)

    Beck, R.J.

    1992-01-01

    This paper reports that France's refiners face a continuing shortfall of middle distillate capacity and a persistent surplus of heavy fuel oil. That's the main conclusion of the official Hydrocarbon Directorate's report on how France's refining sector performed in 1991. Imports up---The directorate noted that although net production of refined products in French refineries rose to 1.534 million b/d in 1991 from 1.48 million b/d in 1990, products imports jumped 9.7% to 602,000 b/d in the period. The glut of heavy fuel oil eased to some extent last year because French nuclear power capacity, heavily dependent on ample water supplies, was crimped by drought. That spawned fuel switching. The most note worthy increase in imports was for motor diesel, climbing to 176,000 b/d from 148,000 b/d in 1990. Tax credits are spurring French consumption of that fuel. For the first time, consumption of motor diesel in 1991 outstripped that of gasoline at 374,000 b/d and 356,000 b/d respectively

  10. Refining glass structure in two dimensions

    Science.gov (United States)

    Sadjadi, Mahdi; Bhattarai, Bishal; Drabold, D. A.; Thorpe, M. F.; Wilson, Mark

    2017-11-01

    Recently determined atomistic scale structures of near-two dimensional bilayers of vitreous silica (using scanning probe and electron microscopy) allow us to refine the experimentally determined coordinates to incorporate the known local chemistry more precisely. Further refinement is achieved by using classical potentials of varying complexity: one using harmonic potentials and the second employing an electrostatic description incorporating polarization effects. These are benchmarked against density functional calculations. Our main findings are that (a) there is a symmetry plane between the two disordered layers, a nice example of an emergent phenomena, (b) the layers are slightly tilted so that the Si-O-Si angle between the two layers is not 180∘ as originally thought but rather 175 ±2∘ , and (c) while interior areas that are not completely imagined can be reliably reconstructed, surface areas are more problematic. It is shown that small crystallites that appear are just as expected statistically in a continuous random network. This provides a good example of the value that can be added to disordered structures imaged at the atomic level by implementing computer refinement.

  11. Formal refinement of extended state machines

    Directory of Open Access Journals (Sweden)

    Thomas Fayolle

    2016-06-01

    Full Text Available In a traditional formal development process, e.g. using the B method, the informal user requirements are (manually translated into a global abstract formal specification. This translation is especially difficult to achieve. The Event-B method was developed to incrementally and formally construct such a specification using stepwise refinement. Each increment takes into account new properties and system aspects. In this paper, we propose to couple a graphical notation called Algebraic State-Transition Diagrams (ASTD with an Event-B specification in order to provide a better understanding of the software behaviour. The dynamic behaviour is captured by the ASTD, which is based on automata and process algebra operators, while the data model is described by means of an Event-B specification. We propose a methodology to incrementally refine such specification couplings, taking into account new refinement relations and consistency conditions between the control specification and the data specification. We compare the specifications obtained using each approach for readability and proof complexity. The advantages and drawbacks of the traditional approach and of our methodology are discussed. The whole process is illustrated by a railway CBTC-like case study. Our approach is supported by tools for translating ASTD's into B and Event-B into B.

  12. Marine sediment pore-water profiles of phosphate d18O using a refined micro-extraction

    DEFF Research Database (Denmark)

    Goldhammer, Tobias; Max, Thomas; Brunner, Benjamin

    2011-01-01

    and small amounts of marine porewaters available for analysis. We obtained porewater profiles of Pi oxygen isotopes using a refined protocol based on the original micro-extraction designed by Colman (2002). This refined and customized method allows the conversion of ultra-low quantities (0.5 – 1 μmol...

  13. Quantitative analysis of crystalline and remaining glass phases in CaO-B2O3-SiO2 ternary system glass ceramics

    International Nuclear Information System (INIS)

    He Ming; Wu Mengqiang; Zhang Shuren; Zhou Xiaohua; Zhang Ting; Chen Song

    2010-01-01

    Research highlights: → As for CBS ternary system glass ceramics, due to the complex phase compositions, many methods could be difficult to determine quantitatively the absolute amounts of crystalline and remaining oxides. In this study, an available method based on the Rietveld method was used to quantitatively analyze the relative weight fraction and densities of crystalline phases. These above data are used to obtain a table of both relative weight fraction of crystalline phases and densities of all phases including CBS LTCC. Using volume additivity rule, it is possible to analysis quantitatively the absolute weight fraction of crystalline phases and also the oxides molar content in the remaining glass. - Abstract: Based on Rietveld method of X-ray techniques and volume additivity rule, a new method was developed to quantitatively analyze the phase composition of CaO-B 2 O 3 -SiO 2 ternary system glass ceramics. Lattice parameters, densities and relative weight fractions of crystalline phases in CaO-B 2 O 3 -SiO 2 ternary system were obtained by X-ray diffraction (XRD) refinement. According to the relative weight fraction of crystalline phases and densities of various components, the volume additivity rule was revealed by calculating the absolute weight fraction of crystalline phases of CaO-B 2 O 3 -SiO 2 glass ceramics. In addition, molar contents of the oxides in the remaining glass can also be determined by this method. Comparing this method with internal standard method, it is found that the maximum deviations of the crystallinity and the absolute weight fraction of crystalline phases are less than 2.6% and 2.9%, respectively. As a result, quantitative evaluation of CaO-B 2 O 3 -SiO 2 ternary system glass ceramics can be achieved using this method.

  14. Refinement of finite element model of a power plant by Ambient Vibration Test using system identification

    International Nuclear Information System (INIS)

    Murnal, Pranesh; Kotalwar, Sandip; Ramarao, A.; Sinha, S.K.; Singh, U.P.

    2008-01-01

    Finite Element Modeling is one of the efficient analytical tools for analysis of complicated structures subjected to variety of loads. However the reliability of the analyses is always questionable due to idealizations and assumptions made in the design. The model can be more realistic if it is refined based on experimental support. This paper presents refinement of finite-element model of Koyna Dam-foot Power House (KDPH) building, which is structurally complicated and asymmetrical. The dynamic properties of the building have been identified experimentally through Ambient Vibration Tests (AVT). The building has also been elaborately modeled analytically. The finite-element model is further refined so as to minimize the differences between analytical and the measured natural frequency of the building. The final refined finite-element model of KDPH building is able to produce natural frequency in good agreement with the measured natural frequency of the building. (author)

  15. Investigation on grain refinement and precipitation strengthening applied in high speed wire rod containing vanadium

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Da-yong; Xiao, Fu-ren, E-mail: frxiao@ysu.edu.cn; Wang, Bin; Liu, Jia-ling; Liao, Bo, E-mail: cyddjyjs@263.net

    2014-01-13

    To obtain necessary information for the simulation of high speed wire production process, the effect of grain refinement and precipitation strengthening on two high speed wire rod steels with different vanadium and nitrogen contents was investigated by continuous cooling transformation (CCT) characteristics. CCT curves were constructed by the dilatometer test and microscopic observation. Results showed that the formation of intra-granular ferrite (IGF) could refine grain remarkably and accelerate the ferrite transformation. Schedules for high speed wire production process focused on the effect of cooling rate. Ferrite grain was refined by increasing cooling rate and the formation of IGF. The microhardness calculation revealed that the steels were strengthened mostly by a combined effect of grain refinement and precipitation hardening. Degenerated pearlite was observed at lower transformation temperature and the fracture morphology changed from cementite lamellar to nanoscale cementite particle with increasing cooling rate. Based on the analysis above, an optimal schedule was applied and the microstructure and microhardness were improved.

  16. Region-of-interest volumetric visual hull refinement

    KAUST Repository

    Knoblauch, Daniel; Kuester, Falko

    2010-01-01

    This paper introduces a region-of-interest visual hull refinement technique, based on flexible voxel grids for volumetric visual hull reconstructions. Region-of-interest refinement is based on a multipass process, beginning with a focussed visual

  17. Grain Refinement of Permanent Mold Cast Copper Base Alloys

    Energy Technology Data Exchange (ETDEWEB)

    M.Sadayappan; J.P.Thomson; M.Elboujdaini; G.Ping Gu; M. Sahoo

    2005-04-01

    Grain refinement is a well established process for many cast and wrought alloys. The mechanical properties of various alloys could be enhanced by reducing the grain size. Refinement is also known to improve casting characteristics such as fluidity and hot tearing. Grain refinement of copper-base alloys is not widely used, especially in sand casting process. However, in permanent mold casting of copper alloys it is now common to use grain refinement to counteract the problem of severe hot tearing which also improves the pressure tightness of plumbing components. The mechanism of grain refinement in copper-base alloys is not well understood. The issues to be studied include the effect of minor alloy additions on the microstructure, their interaction with the grain refiner, effect of cooling rate, and loss of grain refinement (fading). In this investigation, efforts were made to explore and understand grain refinement of copper alloys, especially in permanent mold casting conditions.

  18. Environmental monitoring program design for uranium refining and conversion operations

    International Nuclear Information System (INIS)

    1984-08-01

    The objective of this study was to develop recommendations for the design of environmental monitoring programs at Canadian uranium refining and conversion operations. In order to develop monitoring priorities, chemical and radioactive releases to the air and water were developed for reference uranium refining and conversion facilities. The relative significance of the radioactive releases was evaluated through a pathways analysis which estimated dose to individual members of the critical receptor group. The effects of chemical releases to the environment were assessed by comparing predicted air and water contaminant levels to appropriate standards or guidelines. For the reference facilities studied, the analysis suggested that environmental effects are likely to be dominated by airborne release of both radioactive and nonradioactive contaminants. Uranium was found to be the most important radioactive species released to the air and can serve as an overall indicator of radiological impacts for any of the plants considered. The most important nonradioactive air emission was found to be fluoride (as hydrogen fluoride) from the uranium hexafluoride plant. For the uranium trioxide and uranium dioxide plants, air emissions of oxides of nitrogen were considered to be most important. The study recommendations for the design of an environmental monitoring program are based on consideration of those factors most likely to affect local air and water quality, and human radiation exposure. Site- and facility-specific factors will affect monitoring program design and the selection of components such as sampling media, locations and frequency, and analytical methods

  19. Optimal algebraic multilevel preconditioning for local refinement along a line

    NARCIS (Netherlands)

    Margenov, S.D.; Maubach, J.M.L.

    1995-01-01

    The application of some recently proposed algebraic multilevel methods for the solution of two-dimensional finite element problems on nonuniform meshes is studied. The locally refined meshes are created by the newest vertex mesh refinement method. After the introduction of this refinement technique

  20. Grain refinement of AZ31 magnesium alloy by electromagnetic ...

    Indian Academy of Sciences (India)

    Low-frequency electromagnetic field; AZ31 magnesium alloy; Al4C3; grain refinement. Abstract. The effects of electromagnetic stirring and Al4C3 grain refiner on the grain refinement of semicontinuously cast AZ31 magnesium alloy were discussed in this investigation. The results indicate that electromagnetic stirring has an ...

  1. Neutrosophic Refined Similarity Measure Based on Cosine Function

    Directory of Open Access Journals (Sweden)

    Said Broumi

    2014-12-01

    Full Text Available In this paper, the cosine similarity measure of neutrosophic refined (multi- sets is proposed and its properties are studied. The concept of this cosine similarity measure of neutrosophic refined sets is the extension of improved cosine similarity measure of single valued neutrosophic. Finally, using this cosine similarity measure of neutrosophic refined set, the application of medical diagnosis is presented.

  2. Formal language theory: refining the Chomsky hierarchy.

    Science.gov (United States)

    Jäger, Gerhard; Rogers, James

    2012-07-19

    The first part of this article gives a brief overview of the four levels of the Chomsky hierarchy, with a special emphasis on context-free and regular languages. It then recapitulates the arguments why neither regular nor context-free grammar is sufficiently expressive to capture all phenomena in the natural language syntax. In the second part, two refinements of the Chomsky hierarchy are reviewed, which are both relevant to the extant research in cognitive science: the mildly context-sensitive languages (which are located between context-free and context-sensitive languages), and the sub-regular hierarchy (which distinguishes several levels of complexity within the class of regular languages).

  3. Local adaptive mesh refinement for shock hydrodynamics

    International Nuclear Information System (INIS)

    Berger, M.J.; Colella, P.; Lawrence Livermore Laboratory, Livermore, 94550 California)

    1989-01-01

    The aim of this work is the development of an automatic, adaptive mesh refinement strategy for solving hyperbolic conservation laws in two dimensions. There are two main difficulties in doing this. The first problem is due to the presence of discontinuities in the solution and the effect on them of discontinuities in the mesh. The second problem is how to organize the algorithm to minimize memory and CPU overhead. This is an important consideration and will continue to be important as more sophisticated algorithms that use data structures other than arrays are developed for use on vector and parallel computers. copyright 1989 Academic Press, Inc

  4. Risk as economic category: systematics scientific approach and refinement contents

    Directory of Open Access Journals (Sweden)

    V.G. Vygovskyy

    2015-03-01

    Full Text Available The paper studies the categorical-conceptual apparatus of risk and its refinement based on a critical analysis of existing systematic scientific approaches. Determined that in the refinement of the economic nature of the risk of a number of controversial issues: the definition of the objective or subjective nature of risk; matching of concepts such as «risk», «danger», «loss», «probability of loss»; definition of negative or positive consequences of risk; identification of risk with its consequences, or source of origin, which makes the relevance of research topics. As a result of scientific research has been refined interpretation of risk as an economic category, the characteristics of the company associated with the probability of unforeseen situations that may lead to negative and positive impacts, assessment of which requires the development of alternatives for management decisions. Clarification of the definition focuses on the possibility (probability of a favorable (unfavorable events which require certain corrective action management unit of the enterprise. The author emphasizes the mandatory features of the category of «risk», in particular: the concept of risk is always associated with the uncertainty of the future; event occurring has implications for the enterprise (both negative and positive; consequences for necessitates the development of a number of alternative solutions to the possible elimination of the negative consequences of risky events; risk – a mandatory attribute of modern management (its value is enhanced in terms of market conditions; subject to risk assessment and management by the company. Dedicated and updated features contribute to the clarification of the nature of the economic risk and categorical conceptual apparatus of risk management.

  5. Petroleum movements and investments in the refining industry: The impact of worldwide environmental regulations

    International Nuclear Information System (INIS)

    Guariguata U., G.

    1995-01-01

    Since the enactment of the US Clean Air Act Amendments of 1990, the worldwide refining industry has aligned itself to become increasing attuned to the future well-being of the environment. Refiners must now develop strategies which address careful selection of crude slates, significant increases and changes in product movements, and upgrading of facilities to meet growing demand--in short, strategies which allow them to make substantial increases in capital investments. The objective of this paper is to determine the regional capital investments refiners must make in order to comply with environmental legislation. The methodology in making this determination was founded on a comprehensive analysis of worldwide petroleum supply/demand and distribution patterns for the coming five years, and included evaluation of a set of linear programming (LP) models based on forecasts for regional product demands and projections of regional specifications. The models considered two scenarios, in which either (1) refinery expansion occurs chiefly in the market consuming regions, or (2) crude producers take control of incremental crude volumes and further expand their planned refining projects and the marketing of refined products. The results of these models, coupled with an understanding of geopolitical situations and economic analyses, provided estimates for capital expenditures for the coming decade. In specific, the following issues were addressed, and are discussed in this paper: refined product trade outlook; crude supply; crude quality; shipping; and capital investments

  6. Petroleum refining. 5, refinery operation and management; Le raffinage du petrole. 5. Exploitation et gestion de la raffinerie

    Energy Technology Data Exchange (ETDEWEB)

    Favennec, J.P. (ed.)

    2001-07-01

    In this volume, the reader will find: an analysis of the refining industry's current environment and economics, including the importance of crude oil, the demand for petroleum products, markets and price setting mechanisms for crude oil and oil products, refining costs and margins, the evolution of the refining capacity and of constraints on the industry; a review of the tools available for optimising and controlling operations; an explanation of material balance management and a description of refinery management and organisation. Contents: I. Background to refining. 1. Oil and Energy. 2. Petroleum products applications, characteristics, markets. 3. International oil markets. 4. Refining: a technical summary investments, margins, costs probable future developments. II. Refining tools. 5. Introduction to linear programming as used in the refining industry. 6. Application of linear programming to refining. 7. Automation, process control and information technology. 8. Applications and their implementation. III. Management and organisation. 9. Management and optimisation of refinery operations. 10. Logistics: transport and dispatch. 11. Functional and organisational analysis. 12. Managerial aspects. Glossary. Index. (author)

  7. Refining Automatically Extracted Knowledge Bases Using Crowdsourcing

    Directory of Open Access Journals (Sweden)

    Chunhua Li

    2017-01-01

    Full Text Available Machine-constructed knowledge bases often contain noisy and inaccurate facts. There exists significant work in developing automated algorithms for knowledge base refinement. Automated approaches improve the quality of knowledge bases but are far from perfect. In this paper, we leverage crowdsourcing to improve the quality of automatically extracted knowledge bases. As human labelling is costly, an important research challenge is how we can use limited human resources to maximize the quality improvement for a knowledge base. To address this problem, we first introduce a concept of semantic constraints that can be used to detect potential errors and do inference among candidate facts. Then, based on semantic constraints, we propose rank-based and graph-based algorithms for crowdsourced knowledge refining, which judiciously select the most beneficial candidate facts to conduct crowdsourcing and prune unnecessary questions. Our experiments show that our method improves the quality of knowledge bases significantly and outperforms state-of-the-art automatic methods under a reasonable crowdsourcing cost.

  8. Adaptive temporal refinement in injection molding

    Science.gov (United States)

    Karyofylli, Violeta; Schmitz, Mauritius; Hopmann, Christian; Behr, Marek

    2018-05-01

    Mold filling is an injection molding stage of great significance, because many defects of the plastic components (e.g. weld lines, burrs or insufficient filling) can occur during this process step. Therefore, it plays an important role in determining the quality of the produced parts. Our goal is the temporal refinement in the vicinity of the evolving melt front, in the context of 4D simplex-type space-time grids [1, 2]. This novel discretization method has an inherent flexibility to employ completely unstructured meshes with varying levels of resolution both in spatial dimensions and in the time dimension, thus allowing the use of local time-stepping during the simulations. This can lead to a higher simulation precision, while preserving calculation efficiency. A 3D benchmark case, which concerns the filling of a plate-shaped geometry, is used for verifying our numerical approach [3]. The simulation results obtained with the fully unstructured space-time discretization are compared to those obtained with the standard space-time method and to Moldflow simulation results. This example also serves for providing reliable timing measurements and the efficiency aspects of the filling simulation of complex 3D molds while applying adaptive temporal refinement.

  9. Refining Automatically Extracted Knowledge Bases Using Crowdsourcing.

    Science.gov (United States)

    Li, Chunhua; Zhao, Pengpeng; Sheng, Victor S; Xian, Xuefeng; Wu, Jian; Cui, Zhiming

    2017-01-01

    Machine-constructed knowledge bases often contain noisy and inaccurate facts. There exists significant work in developing automated algorithms for knowledge base refinement. Automated approaches improve the quality of knowledge bases but are far from perfect. In this paper, we leverage crowdsourcing to improve the quality of automatically extracted knowledge bases. As human labelling is costly, an important research challenge is how we can use limited human resources to maximize the quality improvement for a knowledge base. To address this problem, we first introduce a concept of semantic constraints that can be used to detect potential errors and do inference among candidate facts. Then, based on semantic constraints, we propose rank-based and graph-based algorithms for crowdsourced knowledge refining, which judiciously select the most beneficial candidate facts to conduct crowdsourcing and prune unnecessary questions. Our experiments show that our method improves the quality of knowledge bases significantly and outperforms state-of-the-art automatic methods under a reasonable crowdsourcing cost.

  10. Adaptive hybrid mesh refinement for multiphysics applications

    International Nuclear Information System (INIS)

    Khamayseh, Ahmed; Almeida, Valmor de

    2007-01-01

    The accuracy and convergence of computational solutions of mesh-based methods is strongly dependent on the quality of the mesh used. We have developed methods for optimizing meshes that are comprised of elements of arbitrary polygonal and polyhedral type. We present in this research the development of r-h hybrid adaptive meshing technology tailored to application areas relevant to multi-physics modeling and simulation. Solution-based adaptation methods are used to reposition mesh nodes (r-adaptation) or to refine the mesh cells (h-adaptation) to minimize solution error. The numerical methods perform either the r-adaptive mesh optimization or the h-adaptive mesh refinement method on the initial isotropic or anisotropic meshes to equidistribute weighted geometric and/or solution error function. We have successfully introduced r-h adaptivity to a least-squares method with spherical harmonics basis functions for the solution of the spherical shallow atmosphere model used in climate modeling. In addition, application of this technology also covers a wide range of disciplines in computational sciences, most notably, time-dependent multi-physics, multi-scale modeling and simulation

  11. Pacific Basin Heavy Oil Refining Capacity

    Directory of Open Access Journals (Sweden)

    David Hackett

    2013-02-01

    Full Text Available The United States today is Canada’s largest customer for oil and refined oil products. However, this relationship may be strained due to physical, economic and political influences. Pipeline capacity is approaching its limits; Canadian oil is selling at substantive discounts to world market prices; and U.S. demand for crude oil and finished products (such as gasoline, has begun to flatten significantly relative to historical rates. Lower demand, combined with increased shale oil production, means U.S. demand for Canadian oil is expected to continue to decline. Under these circumstances, gaining access to new markets such as those in the Asia-Pacific region is becoming more and more important for the Canadian economy. However, expanding pipeline capacity to the Pacific via the proposed Northern Gateway pipeline and the planned Trans Mountain pipeline expansion is only feasible when there is sufficient demand and processing capacity to support Canadian crude blends. Canadian heavy oil requires more refining and produces less valuable end products than other lighter and sweeter blends. Canadian producers must compete with lighter, sweeter oils from the Middle East, and elsewhere, for a place in the Pacific Basin refineries built to handle heavy crude blends. Canadian oil sands producers are currently expanding production capacity. Once complete, the Northern Gateway pipeline and the Trans Mountain expansion are expected to deliver an additional 500,000 to 1.1 million barrels a day to tankers on the Pacific coast. Through this survey of the capacity of Pacific Basin refineries, including existing and proposed facilities, we have concluded that there is sufficient technical capacity in the Pacific Basin to refine the additional Canadian volume; however, there may be some modifications required to certain refineries to allow them to process Western Canadian crude. Any additional capacity for Canadian oil would require refinery modifications or

  12. 3Drefine: an interactive web server for efficient protein structure refinement.

    Science.gov (United States)

    Bhattacharya, Debswapna; Nowotny, Jackson; Cao, Renzhi; Cheng, Jianlin

    2016-07-08

    3Drefine is an interactive web server for consistent and computationally efficient protein structure refinement with the capability to perform web-based statistical and visual analysis. The 3Drefine refinement protocol utilizes iterative optimization of hydrogen bonding network combined with atomic-level energy minimization on the optimized model using a composite physics and knowledge-based force fields for efficient protein structure refinement. The method has been extensively evaluated on blind CASP experiments as well as on large-scale and diverse benchmark datasets and exhibits consistent improvement over the initial structure in both global and local structural quality measures. The 3Drefine web server allows for convenient protein structure refinement through a text or file input submission, email notification, provided example submission and is freely available without any registration requirement. The server also provides comprehensive analysis of submissions through various energy and statistical feedback and interactive visualization of multiple refined models through the JSmol applet that is equipped with numerous protein model analysis tools. The web server has been extensively tested and used by many users. As a result, the 3Drefine web server conveniently provides a useful tool easily accessible to the community. The 3Drefine web server has been made publicly available at the URL: http://sysbio.rnet.missouri.edu/3Drefine/. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

  13. The European refining and distribution industry at the 2010 vista

    International Nuclear Information System (INIS)

    Lacour, J.J.; Tessmer, G.; Ward, I.

    1998-01-01

    Oil company chairmen belonging to the AFTP, DGMK and IP associations met together to debate about the future of the European refining industry. The following topics were discussed: is it the end of the refining crisis? Which uncertainties will have to be met? What is the situation of petroleum products supply and demand? What are the consumers' expectations? How to face the environmental constraints? Which future for the refining activities in Europe? Seven round-tables took place with the following themes: the factors of uncertainty in the future of refining activities, the petroleum products supply and demand (automotive fuels, fuel oils, lubricants), the refining activities and the supply of consumers (service stations and supermarkets), the situation of the European petroleum policy, the European refining industry and the public regulations (development of more efficient environmental approaches), the impact of environmental constraints and the technical solutions, and the future of the refining industry. (J.S.)

  14. Technological studies on uranium refining at nuclear materials authority, Egypt

    International Nuclear Information System (INIS)

    Mohammed, H.S.

    1997-01-01

    In 1992 nuclear materials authority (NMA) took a decision to establish yellow cake refining. Unit so as to study refining of El-Atshan yellow cake which recently produced by ion-exchange pilot plant, production sector. The research studies followed the conventional refining rout to produce nuclear grade UO 3 . This implies investigations on some common solvents to refine the cake viz. tri alkyl phosphates, tri alkyl phosphine oxides, dialkyl phosphoric acid as well as high-molecular weight long-chain tertiary amines. Moreover, non-conventional refining process has also been presented depending on the selectivity of uranyl ion to be dissolved by carbonate and to be precipitated by hydrogen peroxide. Most of the proposed processes were found feasible to refine El-Atshan yellow cake. however, the non- conventional refining process appears to be the most promising, owing to its superior performance and economy

  15. Low-resolution refinement tools in REFMAC5

    International Nuclear Information System (INIS)

    Nicholls, Robert A.; Long, Fei; Murshudov, Garib N.

    2012-01-01

    Low-resolution refinement tools implemented in REFMAC5 are described, including the use of external structural restraints, helical restraints and regularized anisotropic map sharpening. Two aspects of low-resolution macromolecular crystal structure analysis are considered: (i) the use of reference structures and structural units for provision of structural prior information and (ii) map sharpening in the presence of noise and the effects of Fourier series termination. The generation of interatomic distance restraints by ProSMART and their subsequent application in REFMAC5 is described. It is shown that the use of such external structural information can enhance the reliability of derived atomic models and stabilize refinement. The problem of map sharpening is considered as an inverse deblurring problem and is solved using Tikhonov regularizers. It is demonstrated that this type of map sharpening can automatically produce a map with more structural features whilst maintaining connectivity. Tests show that both of these directions are promising, although more work needs to be performed in order to further exploit structural information and to address the problem of reliable electron-density calculation

  16. Grain refinement of permanent mold cast copper base alloys. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Sadayappan, M.; Thomson, J. P.; Elboujdaini, M.; Gu, G. Ping; Sahoo, M.

    2004-04-29

    Grain refinement behavior of copper alloys cast in permanent molds was investigated. This is one of the least studied subjects in copper alloy castings. Grain refinement is not widely practiced for leaded copper alloys cast in sand molds. Aluminum bronzes and high strength yellow brasses, cast in sand and permanent molds, were usually fine grained due to the presence of more than 2% iron. Grain refinement of the most common permanent mold casting alloys, leaded yellow brass and its lead-free replacement EnviroBrass III, is not universally accepted due to the perceived problem of hard spots in finished castings and for the same reason these alloys contain very low amounts of iron. The yellow brasses and Cu-Si alloys are gaining popularity in North America due to their low lead content and amenability for permanent mold casting. These alloys are prone to hot tearing in permanent mold casting. Grain refinement is one of the solutions for reducing this problem. However, to use this technique it is necessary to understand the mechanism of grain refinement and other issues involved in the process. The following issues were studied during this three year project funded by the US Department of Energy and the copper casting industry: (1) Effect of alloying additions on the grain size of Cu-Zn alloys and their interaction with grain refiners; (2) Effect of two grain refining elements, boron and zirconium, on the grain size of four copper alloys, yellow brass, EnviroBrass II, silicon brass and silicon bronze and the duration of their effect (fading); (3) Prediction of grain refinement using cooling curve analysis and use of this method as an on-line quality control tool; (4) Hard spot formation in yellow brass and EnviroBrass due to grain refinement; (5) Corrosion resistance of the grain refined alloys; (6) Transfer the technology to permanent mold casting foundries; It was found that alloying elements such as tin and zinc do not change the grain size of Cu-Zn alloys

  17. Effect of strontium on the grain refining efficiency of Mg-3Al alloy refined by carbon inoculation

    International Nuclear Information System (INIS)

    Du Jun; Yang Jian; Kuwabara, Mamoru; Li Wenfang; Peng Jihua

    2009-01-01

    The effect of Sr on the grain refining efficiency of the Mg-3Al alloy refined by carbon inoculation has been investigated in the present study. A significant grain refinement was obtained for the Mg-3Al alloy treated with either 0.2% C or 0.2% Sr. The Al-C-O particles were found in the sample refined by 0.2% C, and the element O should come from reaction between Al 4 C 3 nuclei of Mg grains and water during the process of sample preparation. The grain size of the sample refined by carbon inoculation was further decreased after the combined addition of Sr. The grain size decreased with increasing Sr content. Much higher refining efficiency was obtained when the Sr addition was increased to 0.5%. Sr is an effective element to improve the grain refining efficiency for the Mg-Al alloys refined by carbon inoculation. The number of Al 4 C 3 particles in the sample refined by the combination of carbon and Sr was more than that in the sample refined by only carbon. No Al-C-O-Sr-rich particles were obviously found in the sample refined by the combination of carbon and a little (<0.5%) Sr addition

  18. Refining the ideas of "ethnic" skin.

    Science.gov (United States)

    Torres, Vicente; Herane, Maria Isabel; Costa, Adilson; Martin, Jaime Piquero; Troielli, Patricia

    2017-01-01

    Skin disease occur worldwide, affecting people of all nationalities and all skin types. These diseases may have a genetic component and may manifest differently in specific population groups; however, there has been little study on this aspect. If population-based differences exist, it is reasonable to assume that understanding these differences may optimize treatment. While there is a relative paucity of information about similarities and differences in skin diseases around the world, the knowledge-base is expanding. One challenge in understanding population-based variations is posed by terminology used in the literature: including ethnic skin, Hispanic skin, Asian skin, and skin of color. As will be discussed in this article, we recommend that the first three descriptors are no longer used in dermatology because they refer to nonspecific groups of people. In contrast, "skin of color" may be used - perhaps with further refinements in the future - as a term that relates to skin biology and provides relevant information to dermatologists.

  19. China's oil market and refining sector

    International Nuclear Information System (INIS)

    Yamaguchi, N.D.; Fridley, D.G.

    2000-01-01

    The article assesses the future for China's oil industry as the country makes the transition from a command economy to an international market. China has one of the world's biggest oil industries and recent years have seen much growth in exploration and development, refining capacity and trade. China is more and more dependent on oil imports and is now a major international player; it has attracted much outside investment. Diagrams show (i) how coal dominates other sources of energy in China; (ii) crude production 1977-1998; (iii) how Middle East crudes now dominate Chinese crude imports; (iv) the growth of petroleum demand in China; (v) the Chinese demand for petroleum products; (vi) the growth in transport fuels; (vii) Chinese product imports: import ban targeted diesel; (viii) crude imports favoured over product imports and (ix) refinery capacity and throughput. The changes are expected to result in further integration into international markets, increased transparency and a healthier oil business

  20. Japan's oil market and refining sector

    International Nuclear Information System (INIS)

    Yamaguchi, N.D.

    2002-01-01

    The present economic situation in Japan is discussed. In particular, the focus is on fluctuations in oil product demand, imports of crude oil, and the refining industry. Throughout the 1990s, Japan was plagued by a volatile economy and the new millennium has shown no improvement. A prolonged recession means that the country now has little confidence in its leaders and its institutions, consumer confidence is low and asset values have deflated. Due to a low birth rate and long life expectancy, the population is aging and this means lower savings rates. The contrast between the present situation and the so-called economic miracle once enjoyed by the Japanese is hard to accept, but despite all this, the Japanese lifestyle and economy are to be envied

  1. Formal language theory: refining the Chomsky hierarchy

    Science.gov (United States)

    Jäger, Gerhard; Rogers, James

    2012-01-01

    The first part of this article gives a brief overview of the four levels of the Chomsky hierarchy, with a special emphasis on context-free and regular languages. It then recapitulates the arguments why neither regular nor context-free grammar is sufficiently expressive to capture all phenomena in the natural language syntax. In the second part, two refinements of the Chomsky hierarchy are reviewed, which are both relevant to the extant research in cognitive science: the mildly context-sensitive languages (which are located between context-free and context-sensitive languages), and the sub-regular hierarchy (which distinguishes several levels of complexity within the class of regular languages). PMID:22688632

  2. Refining Grasp Affordance Models by Experience

    DEFF Research Database (Denmark)

    Detry, Renaud; Kraft, Dirk; Buch, Anders Glent

    2010-01-01

    We present a method for learning object grasp affordance models in 3D from experience, and demonstrate its applicability through extensive testing and evaluation on a realistic and largely autonomous platform. Grasp affordance refers here to relative object-gripper configurations that yield stable...... with a visual model of the object they characterize. We explore a batch-oriented, experience-based learning paradigm where grasps sampled randomly from a density are performed, and an importance-sampling algorithm learns a refined density from the outcomes of these experiences. The first such learning cycle...... is bootstrapped with a grasp density formed from visual cues. We show that the robot effectively applies its experience by downweighting poor grasp solutions, which results in increased success rates at subsequent learning cycles. We also present success rates in a practical scenario where a robot needs...

  3. Biomaterials Evaluation: Conceptual Refinements and Practical Reforms.

    Science.gov (United States)

    Masaeli, Reza; Zandsalimi, Kavosh; Tayebi, Lobat

    2018-01-01

    Regarding the widespread and ever-increasing applications of biomaterials in different medical fields, their accurate assessment is of great importance. Hence the safety and efficacy of biomaterials is confirmed only through the evaluation process, the way it is done has direct effects on public health. Although every biomaterial undergoes rigorous premarket evaluation, the regulatory agencies receive a considerable number of complications and adverse event reports annually. The main factors that challenge the process of biomaterials evaluation are dissimilar regulations, asynchrony of biomaterials evaluation and biomaterials development, inherent biases of postmarketing data, and cost and timing issues. Several pieces of evidence indicate that current medical device regulations need to be improved so that they can be used more effectively in the evaluation of biomaterials. This article provides suggested conceptual refinements and practical reforms to increase the efficiency and effectiveness of the existing regulations. The main focus of the article is on strategies for evaluating biomaterials in US, and then in EU.

  4. The evolution and refinements of varicocele surgery

    Directory of Open Access Journals (Sweden)

    Joel L Marmar

    2016-01-01

    Full Text Available Varicoceles had been recognized in clinical practice for over a century. Originally, these procedures were utilized for the management of pain but, since 1952, the repairs had been mostly for the treatment of male infertility. However, the diagnosis and treatment of varicoceles were controversial, because the pathophysiology was not clear, the entry criteria of the studies varied among centers, and there were few randomized clinical trials. Nevertheless, clinicians continued developing techniques for the correction of varicoceles, basic scientists continued investigations on the pathophysiology of varicoceles, and new outcome data from prospective randomized trials have appeared in the world′s literature. Therefore, this special edition of the Asian Journal of Andrology was proposed to report much of the new information related to varicoceles and, as a specific part of this project, the present article was developed as a comprehensive review of the evolution and refinements of the corrective procedures.

  5. COSMOLOGICAL ADAPTIVE MESH REFINEMENT MAGNETOHYDRODYNAMICS WITH ENZO

    International Nuclear Information System (INIS)

    Collins, David C.; Xu Hao; Norman, Michael L.; Li Hui; Li Shengtai

    2010-01-01

    In this work, we present EnzoMHD, the extension of the cosmological code Enzo to include the effects of magnetic fields through the ideal magnetohydrodynamics approximation. We use a higher order Godunov method for the computation of interface fluxes. We use two constrained transport methods to compute the electric field from those interface fluxes, which simultaneously advances the induction equation and maintains the divergence of the magnetic field. A second-order divergence-free reconstruction technique is used to interpolate the magnetic fields in the block-structured adaptive mesh refinement framework already extant in Enzo. This reconstruction also preserves the divergence of the magnetic field to machine precision. We use operator splitting to include gravity and cosmological expansion. We then present a series of cosmological and non-cosmological test problems to demonstrate the quality of solution resulting from this combination of solvers.

  6. Panorama 2011: Refining: varying conditions by region

    International Nuclear Information System (INIS)

    Silva, C.

    2011-01-01

    The economic crisis has further weakened a sector that was already facing difficulties, if we look beyond the flush period (2005-2008) when, buoyed by strong demand, margins remained high and refiners could generate profits while maintaining a healthy level of activity. Falling demand and increased over-capacity in some regions - the immediate consequences of the deteriorating economic conditions over the past two years - have led to declining margins and to financial accounts being in the red. The adoption of increasingly stringent emissions standards and product specifications, burdensome regulatory requirements for refineries (for combating local pollution and reducing greenhouse gas emissions), stiffer competition from new fuels: all of these structural factors are weakening the sector, especially in industrialized nations with their more rigorous regulatory compliance. In this generally gloomy climate, numerous new projects are still being envisaged - although many have recently been postponed and tend to be concentrated in developing countries. (author)

  7. Refining prices and margins in 1998

    International Nuclear Information System (INIS)

    Favennec, J.P.; Baudoin, C.

    1999-01-01

    Despite a business environment that was globally mediocre due primarily to the Asian crisis and to a mild winter in the northern hemisphere, the signs of improvement noted in the refining activity in 1996 were borne out in 1997. But the situation is not yet satisfactory in this sector: the low return on invested capital and the financing of environmental protection expenditure are giving cause for concern. In 1998, the drop in crude oil prices and the concomitant fall in petroleum product prices was ultimately rather favorable to margins. Two elements tended to put a damper on this relative optimism. First of all, margins continue to be extremely volatile and, secondly, the worsening of the economic and financial crisis observed during the summer made for a sharp decline in margins in all geographic regions, especially Asia

  8. Effect of Al on Grain Refinement and Mechanical Properties of Mg-3Nd Casting Alloy

    Science.gov (United States)

    Wang, Lei; Feng, Yicheng; Wang, Liping; Chen, Yanhong; Guo, Erjun

    2018-05-01

    The effect of Al on the grain refinement and mechanical properties of as-cast Mg-3Nd alloy was investigated systematically by a series of microstructural analysis, solidification analysis and tensile tests. The results show that Al has an obvious refining effect on the as-cast Mg-3Nd alloy. With increasing Al content, the grain size of the as-cast Mg-3Nd alloy decreases firstly, then increases slightly after the Al content reaching 3 wt.%, and the minimum grain size of the Mg-3Nd alloy is 48 ± 4.0 μm. The refining mechanism can be attributed to the formation of Al2Nd particles, which play an important role in the heterogeneous nucleation. The strength and elongation of the Mg-3Nd alloy refined by Al also increase with increasing Al content and slightly decrease when the Al content is more than 3 wt.%, and the strengthening mechanism is attributed to the grain refinement as well as dispersed intermetallic particles. Furthermore, the microstructural thermal stability of the Mg-3Nd-3Al alloy is higher than that of the Mg-3Nd-0.5Zr alloy. Overall, the Mg-3Nd alloy with Al addition is a novel alloy with wide and potential application prospects.

  9. Modelling of the Effectiveness of Al-Ti-B Refiners in Commercial Purity Aluminium

    Science.gov (United States)

    Bunn, A. M.; Evans, P. V.; Bristow, D. J.; Greer, A. L.

    Al-5Ti-1B (wt.%) alloys are effective grain refiners for DC-cast aluminium although as few as 1% of the TiB2 particles added to the melt nucleate grains. The aim of this work is to develop quantitative modelling for prediction of grain sizes in commercial purity aluminium. In this way the low efficiency of refiners can be understood, ultimately to clarify the design rules for a more effective refiner. The modelling focuses on the role of particle size distribution. This is in conjunction with measurements (by scanning electron microscopy and image analysis) of the particle size distributions in commercial Al-5Ti-1B refiners known to have differing performances. The undercooling required for heterogeneous nucleation of oc-Al on the surface of potent TiB2 particles is extremely low. Accordingly, the modelling is based on the assumption that the critical step for a particle to behave as an active growth centre is that required to initiate free growth from the particle surface, rather than the initial heterogeneous nucleation event. It is considered that further initiation of free growth of crystals is stopped by the onset of recalescence in the melt during solidification. Only those particles which are active growth centres at the point of recalescence will contribute towards the final grain size. Negligible interference between particles and spherical growth up to the point of recalescence are assumed; these assumptions are rigorously tested. The model tests the effect of varying the particle size distribution by using measured distributions from `good' and `poor' refiners. The variation of grain size with addition rate of refiner is examined. The model predicts an effective saturation, beyond which further addition has little effect. In general, good agreement is found between the grain-size predictions and conventional grain-refining tests.

  10. Grain Refinement of Low Carbon Martensitic Steel by Heat Treatment

    Directory of Open Access Journals (Sweden)

    N. V. Kolebina

    2015-01-01

    Full Text Available The low-carbon steels have good corrosion and technological properties. Hot deformation is the main operation in manufacturing the parts from these steels. So one of the important properties of the material is a property of plasticity. The grain size significantly influences on the ductility properties of steel. The grain size of steel depends on the chemical composition of the crystallization process, heat treatment, and steel machining. There are plenty methods to have grain refinement. However, taking into account the large size of the blanks for the hydro turbine parts, the thermal cycling is an advanced method of the grain refinement adaptable to streamlined production. This work experimentally studies the heat treatment influence on the microstructure of the low-carbon 01X13N04 alloy steel and proposes the optimal regime of the heat treatment to provide a significantly reduced grain size. L.M. Kleiner, N.P. Melnikov and I.N. Bogachyova’s works focused both on the microstructure of these steels and on the influence of its parameters on the mechanical properties. The paper focuses mainly on defining an optimal regime of the heat treatment for grain refinement. The phase composition of steel and temperature of phase transformation were defined by the theoretical analysis. The dilatometric experiment was done to determine the precise temperature of the phase transformations. The analysis and comparison of the experimental data with theoretical data and earlier studies have shown that the initial sample has residual stress and chemical heterogeneity. The influence of the heat treatment on the grain size was studied in detail. It is found that at temperatures above 950 ° C there is a high grain growth. It is determined that the optimal number of cycles is two. The postincreasing number of cycles does not cause further reducing grain size because of the accumulative recrystallization process. Based on the results obtained, the thermal cycling

  11. Local mesh refinement for incompressible fluid flow with free surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Terasaka, H.; Kajiwara, H.; Ogura, K. [Tokyo Electric Power Company (Japan)] [and others

    1995-09-01

    A new local mesh refinement (LMR) technique has been developed and applied to incompressible fluid flows with free surface boundaries. The LMR method embeds patches of fine grid in arbitrary regions of interest. Hence, more accurate solutions can be obtained with a lower number of computational cells. This method is very suitable for the simulation of free surface movements because free surface flow problems generally require a finer computational grid to obtain adequate results. By using this technique, one can place finer grids only near the surfaces, and therefore greatly reduce the total number of cells and computational costs. This paper introduces LMR3D, a three-dimensional incompressible flow analysis code. Numerical examples calculated with the code demonstrate well the advantages of the LMR method.

  12. MICROARRAY IMAGE GRIDDING USING GRID LINE REFINEMENT TECHNIQUE

    Directory of Open Access Journals (Sweden)

    V.G. Biju

    2015-05-01

    Full Text Available An important stage in microarray image analysis is gridding. Microarray image gridding is done to locate sub arrays in a microarray image and find co-ordinates of spots within each sub array. For accurate identification of spots, most of the proposed gridding methods require human intervention. In this paper a fully automatic gridding method which enhances spot intensity in the preprocessing step as per a histogram based threshold method is used. The gridding step finds co-ordinates of spots from horizontal and vertical profile of the image. To correct errors due to the grid line placement, a grid line refinement technique is proposed. The algorithm is applied on different image databases and results are compared based on spot detection accuracy and time. An average spot detection accuracy of 95.06% depicts the proposed method’s flexibility and accuracy in finding the spot co-ordinates for different database images.

  13. Refined localization of the Prieto-syndrome locus

    Energy Technology Data Exchange (ETDEWEB)

    Martinez, F.; Prieto, F. [Unidad de Genetica, Valencia (Spain); Gal, A. [Universitaets-Krankenhaus Eppendorf, Hamburg (Germany)

    1996-07-12

    PRS designates the locus for a syndromal form of X-linked mental retardation (Prieto syndrome) characterized by minor facial anomalies, ear malformation, abnormal growth of teeth, clinodactyly, sacral dimple, patellar luxation, malformation of lower limbs, abnormalities of the fundus of the eye, and subcortical cerebral atrophy. Linkage analysis localized the disease locus between DXS84 (Xp21.1) and DXS255. Here we present additional linkage data that provide further support and refinement of this localization. Individual III-18 gave birth to a male, currently aged 2 7/12 years, who clearly shows delayed psychomotor development. He began to walk at 23 months and his speech is delayed. In addition, he shows the characteristic facial anomalies, {open_quotes}dysplastic{close_quotes} ears, sacral dimple, and clinodactyly, as do all other affected males in this family. 7 refs., 1 tab.

  14. Frequency-restrained structure-factor refinement. Pt. 1

    International Nuclear Information System (INIS)

    Lunin, V.Yu.; Skovoroda, T.P.

    1991-01-01

    An analysis of the frequencies of different values encountered in protein electron-density syntheses reveals characteristic shapes for their distributions (histograms). This property can be used to refine ill-defined phases (and, perhaps, some of the moduli) of structure factors, and thus to obtain more-interpretable electron-density maps. A simple empirical model is designed which can predict the histogram for a protein with an undetermined structure provided its unit-cell volume and charge are known. The parameters of the histogram model are derived from a set of proteins with known spatial structures. The application of the simulated histogram is illustrated by an improved electron-density map for the 'dry' form of the protein γ-crystallin IIIb. (orig.)

  15. Mirror of the refined topological vertex from a matrix model

    CERN Document Server

    Eynard, B

    2011-01-01

    We find an explicit matrix model computing the refined topological vertex, starting from its representation in terms of plane partitions. We then find the spectral curve of that matrix model, and thus the mirror symmetry of the refined vertex. With the same method we also find a matrix model for the strip geometry, and we find its mirror curve. The fact that there is a matrix model shows that the refined topological string amplitudes also satisfy the remodeling the B-model construction.

  16. A refinement methodology for object-oriented programs

    OpenAIRE

    Tafat , Asma; Boulmé , Sylvain; Marché , Claude

    2010-01-01

    International audience; Refinement is a well-known approach for developing correct-byconstruction software. It has been very successful for producing high quality code e.g., as implemented in the B tool. Yet, such refinement techniques are restricted in the sense that they forbid aliasing (and more generally sharing of data-structures), which often happens in usual programming languages. We propose a sound approach for refinement in presence of aliases. Suitable abstractions of programs are d...

  17. Solving the Sophistication-Population Paradox of Game Refinement Theory

    OpenAIRE

    Xiong , Shuo; Tiwary , Parth ,; Iida , Hiroyuki

    2016-01-01

    Part 4: Short Papers; International audience; A mathematical model of game refinement was proposed based on uncertainty of game outcome. This model has been shown to be useful in measuring the entertainment element in the domains such as boardgames and sport games. However, game refinement theory has not been able to explain the correlation between the popularity of a game and the game refinement value. This paper introduces another aspect in the study of game entertainment, the concept of “a...

  18. Refining clean fuels for the future

    International Nuclear Information System (INIS)

    Courty, P.; Gruson, J.F.

    2001-01-01

    To which extent transportation fuels will reasonably be changed in the coming years? LPG and natural gas are expected to challenge conventional fuels, hydrogen and methanol are bounded to possible fuel cells development. Among others, security of supply, competitive economics and environmental protection issues will be the key to the changes in the coming years. But taking into account expected transportation development, liquid fuels from oil should prevail as the reference energy. Though most of technologies and catalysts needed for the future are still existing or under marketing plans, the industry has to cope with the growing share of middle distillates. Indeed future zero heavy fuel-oil refineries are technically feasible through many existing and recent technologies. However their potential profitability is weighed down deeply by the very high investments and operating costs which are tied up. Tomorrow's main gasoline challenges deal with sulfur in FCC gasoline, aromatics and olefins contents together with a possible ban of ethers, hampering future octane demand and its technical feasibility. In a similar way diesel oil issues for the future imply a very deep desulfurization with possible aromatics hydrogenation and rings opening in order to comply with cetane and poly-aromatics ratings. Natural gas upgrading via syngas chemistry is still expected to open the way to clean fuels for the future via improved and integrated FT's GTL technologies which could as a matter provide most of future increases in clean fuels demand without decreasing the related fatal carbon losses as CO 2 . As an overall view, clean fuels production for the future is technically feasible. Advanced hydro-refining and hydro-conversion technologies open the way to clean fuels and allow the best flexibility in the gasoline/middle distillates ratio. However cost reduction remains a key issue since the huge investments needed are faced with low and volatile refining margins. In addition, CO 2

  19. Refining of raw materials, lignite present economic problems

    Energy Technology Data Exchange (ETDEWEB)

    Schirmer, G.

    1985-06-01

    East Germany seeks an economic intensification program that involves refining raw materials to a higher level. Lignite briquetting prior to liquefaction and gasification illustrates both the theoretical and practical aspects of that goal and also introduces questions of secure supplies. The author describes the special labor processes, use of technology, recycling of waste materials, and other new problems that the approach entails as the refined raw materials become new materials or energy sources. Economics based on the value of the refined product and the cost of the materials determine the degree of refinement. The concept also involves the relationship of producer and user as profits increase.

  20. Method of optimization of the natural gas refining process

    Energy Technology Data Exchange (ETDEWEB)

    Sadykh-Zade, E.S.; Bagirov, A.A.; Mardakhayev, I.M.; Razamat, M.S.; Tagiyev, V.G.

    1980-01-01

    The SATUM (automatic control system of technical operations) system introduced at the Shatlyk field should assure good quality of gas refining. In order to optimize the natural gas refining processes and experimental-analytical method is used in compiling the mathematical descriptions. The program, compiled in Fortran language, in addition to parameters of optimal conditions gives information on the yield of concentrate and water, concentration and consumption of DEG, composition and characteristics of the gas and condensate. The algorithm for calculating optimum engineering conditions of gas refining is proposed to be used in ''advice'' mode, and also for monitoring progress of the gas refining process.

  1. New Process for Grain Refinement of Aluminum. Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Joseph A. Megy

    2000-09-22

    A new method of grain refining aluminum involving in-situ formation of boride nuclei in molten aluminum just prior to casting has been developed in the subject DOE program over the last thirty months by a team consisting of JDC, Inc., Alcoa Technical Center, GRAS, Inc., Touchstone Labs, and GKS Engineering Services. The Manufacturing process to make boron trichloride for grain refining is much simpler than preparing conventional grain refiners, with attendant environmental, capital, and energy savings. The manufacture of boride grain refining nuclei using the fy-Gem process avoids clusters, salt and oxide inclusions that cause quality problems in aluminum today.

  2. Architectural Refinement for the Design of Survivable Systems

    National Research Council Canada - National Science Library

    Ellison, Robert

    2001-01-01

    This paper describes a process for systematically refining an enterprise system architecture to resist recognize and recover from deliberate, malicious attacks by applying reusable design primitives...

  3. Energy conservation potential in China’s petroleum refining industry: Evidence and policy implications

    International Nuclear Information System (INIS)

    Lin, Boqiang; Xie, Xuan

    2015-01-01

    Highlights: • A long-term equilibrium relationship of energy demand in China’s petroleum refining industry is established. • The sectoral energy conservation potential is evaluated by using scenarios analysis. • Energy prices, enterprise scale, R and D investment and ownership structure affect electricity intensity. • Future policy for energy conservation in China’s petroleum refining industry is suggested. - Abstract: China is currently the second largest petroleum refining country in the world due to rapid growth in recent years. Because the petroleum refining industry is energy-intensive, the rapid growth in petroleum refining and development caused massive energy consumption. China’s urbanization process will guarantee sustained growth of the industry for a long time. Therefore, it is necessary to study the energy conservation potential of the petroleum industry. This paper estimates the energy conservation potential of the industry by applying a cointegration model to investigate the long-run equilibrium relationship between energy consumption and some factors such as energy price, enterprise scale, R and D investment and ownership structure. The results show that R and D investment has the greatest reduction impact on energy intensity, and the growth of market participants (i.e. the decline of the share of state-owned companies) can improve energy efficiency of this industry. Under the advanced energy-saving scenario, the accumulated energy conservation potential will reach 230.18 million tons of coal equivalent (tce). Finally, we provide some targeted policy recommendations for industrial energy conservation

  4. Adaptive local surface refinement based on LR NURBS and its application to contact

    Science.gov (United States)

    Zimmermann, Christopher; Sauer, Roger A.

    2017-12-01

    A novel adaptive local surface refinement technique based on Locally Refined Non-Uniform Rational B-Splines (LR NURBS) is presented. LR NURBS can model complex geometries exactly and are the rational extension of LR B-splines. The local representation of the parameter space overcomes the drawback of non-existent local refinement in standard NURBS-based isogeometric analysis. For a convenient embedding into general finite element codes, the Bézier extraction operator for LR NURBS is formulated. An automatic remeshing technique is presented that allows adaptive local refinement and coarsening of LR NURBS. In this work, LR NURBS are applied to contact computations of 3D solids and membranes. For solids, LR NURBS-enriched finite elements are used to discretize the contact surfaces with LR NURBS finite elements, while the rest of the body is discretized by linear Lagrange finite elements. For membranes, the entire surface is discretized by LR NURBS. Various numerical examples are shown, and they demonstrate the benefit of using LR NURBS: Compared to uniform refinement, LR NURBS can achieve high accuracy at lower computational cost.

  5. Experiments in Knowledge Refinement for a Large Rule-Based System

    Science.gov (United States)

    1993-08-01

    empirical analysis to refine expert system knowledge bases. Aritificial Intelligence , 22:23-48, 1984. *! ...The Addison- Weslev series in artificial intelligence . Addison-Weslev. Reading, Massachusetts. 1981. Cooke, 1991: ttoger M. Cooke. Experts in...ment for classification systems. Artificial Intelligence , 35:197-226, 1988. 14 Overall, we believe that it will be possible to build a heuristic system

  6. Penetuan Bilangan Iodin pada Hydrogenated Palm Kernel Oil (HPKO) dan Refined Bleached Deodorized Palm Kernel Oil (RBDPKO)

    OpenAIRE

    Sitompul, Monica Angelina

    2015-01-01

    Have been conducted Determination of Iodin Value by method titration to some Hydrogenated Palm Kernel Oil (HPKO) and Refined Bleached Deodorized Palm Kernel Oil (RBDPKO). The result of analysis obtained the Iodin Value in Hydrogenated Palm Kernel Oil (A) = 0,16 gr I2/100gr, Hydrogenated Palm Kernel Oil (B) = 0,20 gr I2/100gr, Hydrogenated Palm Kernel Oil (C) = 0,24 gr I2/100gr. And in Refined Bleached Deodorized Palm Kernel Oil (A) = 17,51 gr I2/100gr, Refined Bleached Deodorized Palm Kernel ...

  7. Neural networks applied to characterize blends containing refined and extra virgin olive oils.

    Science.gov (United States)

    Aroca-Santos, Regina; Cancilla, John C; Pariente, Enrique S; Torrecilla, José S

    2016-12-01

    The identification and quantification of binary blends of refined olive oil with four different extra virgin olive oil (EVOO) varietals (Picual, Cornicabra, Hojiblanca and Arbequina) was carried out with a simple method based on combining visible spectroscopy and non-linear artificial neural networks (ANNs). The data obtained from the spectroscopic analysis was treated and prepared to be used as independent variables for a multilayer perceptron (MLP) model. The model was able to perfectly classify the EVOO varietal (100% identification rate), whereas the error for the quantification of EVOO in the mixtures containing between 0% and 20% of refined olive oil, in terms of the mean prediction error (MPE), was 2.14%. These results turn visible spectroscopy and MLP models into a trustworthy, user-friendly, low-cost technique which can be implemented on-line to characterize olive oil mixtures containing refined olive oil and EVOOs. Copyright © 2016 Elsevier B.V. All rights reserved.

  8. The US petroleum refining industry in the 1980's

    Energy Technology Data Exchange (ETDEWEB)

    1990-10-11

    As part of the EIA program on petroleum, The US Petroleum Refining Industry in the 1980's, presents a historical analysis of the changes that took place in the US petroleum refining industry during the 1980's. It is intended to be of interest to analysts in the petroleum industry, state and federal government officials, Congress, and the general public. The report consists of six chapters and four appendices. Included is a detailed description of the major events and factors that affected the domestic refining industry during this period. Some of the changes that took place in the 1980's are the result of events that started in the 1970's. The impact of these events on US refinery configuration, operations, economics, and company ownership are examined. 23 figs., 11 tabs.

  9. Synthesis, Crystal Structure, and Chemical-Bonding Analysis of BaZn(NCN2

    Directory of Open Access Journals (Sweden)

    Alex J. Corkett

    2017-12-01

    Full Text Available The ternary carbodiimide BaZn(NCN2 was prepared by a solid-state metathesis reaction between BaF2, ZnF2, and Li2NCN in a 1:1:2 molar ratio, and its crystal structure was determined from Rietveld refinement of X-ray data. BaZn(NCN2 represents the aristotype of the LiBa2Al(NCN4 structure which is unique to carbodiimide/cyanamide chemistry and is well regarded as being constructed from ZnN4 tetrahedra, sharing edges and vertices through NCN2− units to form corrugated layers with Ba2+ in the interlayer voids. Structural anomalies in the shape of the cyanamide units are addressed via IR spectrometry and DFT calculations, which suggest the presence of slightly bent N=C=N2− carbodiimide units with C2v symmetry. Moreover, chemical-bonding analysis within the framework of crystal orbital Hamilton population (COHP reveals striking similarities between the bonding interactions in BaZn(NCN2 and SrZn(NCN2 despite their contrasting crystal structures. BaZn(NCN2 is only the second example of a ternary post-transition metal carbodiimide, and its realization paves the way for the preparation of analogues featuring divalent transition metals at the tetrahedral Zn2+ site.

  10. Refining the ischemic penumbra with topography.

    Science.gov (United States)

    Thirugnanachandran, Tharani; Ma, Henry; Singhal, Shaloo; Slater, Lee-Anne; Davis, Stephen M; Donnan, Geoffrey A; Phan, Thanh

    2018-04-01

    It has been 40 years since the ischemic penumbra was first conceptualized through work on animal models. The topography of penumbra has been portrayed as an infarcted core surrounded by penumbral tissue and an extreme rim of oligemic tissue. This picture has been used in many review articles and textbooks before the advent of modern imaging. In this paper, we review our understanding of the topography of the ischemic penumbra from the initial experimental animal models to current developments with neuroimaging which have helped to further define the temporal and spatial evolution of the penumbra and refine our knowledge. The concept of the penumbra has been successfully applied in clinical trials of endovascular therapies with a time window as long as 24 h from onset. Further, there are reports of "good" outcome even in patients with a large ischemic core. This latter observation of good outcome despite having a large core requires an understanding of the topography of the penumbra and the function of the infarcted regions. It is proposed that future research in this area takes departure from a time-dependent approach to a more individualized tissue and location-based approach.

  11. Refined phase diagram of boron nitride

    International Nuclear Information System (INIS)

    Solozhenko, V.; Turkevich, V.Z.

    1999-01-01

    The equilibrium phase diagram of boron nitride thermodynamically calculated by Solozhenko in 1988 has been now refined on the basis of new experimental data on BN melting and extrapolation of heat capacities of BN polymorphs into high-temperature region using the adapted pseudo-Debye model. As compared with the above diagram, the hBN left-reversible cBN equilibrium line is displaced by 60 K toward higher temperatures. The hBN-cBN-L triple point has been calculated to be at 3480 ± 10 K and 5.9 ± 0.1 GPa, while the hBN-L-V triple point is at T = 3400 ± 20 K and p = 400 ± 20 Pa, which indicates that the region of thermodynamic stability of vapor in the BN phase diagram is extremely small. It has been found that the slope of the cBN melting curve is positive whereas the slope of hBN melting curve varies from positive between ambient pressure and 3.4 GPa to negative at higher pressures

  12. Refining and blending of aviation turbine fuels.

    Science.gov (United States)

    White, R D

    1999-02-01

    Aviation turbine fuels (jet fuels) are similar to other petroleum products that have a boiling range of approximately 300F to 550F. Kerosene and No.1 grades of fuel oil, diesel fuel, and gas turbine oil share many similar physical and chemical properties with jet fuel. The similarity among these products should allow toxicology data on one material to be extrapolated to the others. Refineries in the USA manufacture jet fuel to meet industry standard specifications. Civilian aircraft primarily use Jet A or Jet A-1 fuel as defined by ASTM D 1655. Military aircraft use JP-5 or JP-8 fuel as defined by MIL-T-5624R or MIL-T-83133D respectively. The freezing point and flash point are the principle differences between the finished fuels. Common refinery processes that produce jet fuel include distillation, caustic treatment, hydrotreating, and hydrocracking. Each of these refining processes may be the final step to produce jet fuel. Sometimes blending of two or more of these refinery process streams are needed to produce jet fuel that meets the desired specifications. Chemical additives allowed for use in jet fuel are also defined in the product specifications. In many cases, the customer rather than the refinery will put additives into the fuel to meet their specific storage or flight condition requirements.

  13. Structural refinement of vitreous silica bilayers

    Science.gov (United States)

    Sadjadi, Mahdi; Wilson, Mark; Thorpe, M. F.

    The importance of glasses resides not only in their applications but in fundamental questions that they put forth. The continuous random network model can successfully describe the glass structure, but determining details, like ring statistics, has always been difficult using only diffraction data. But recent atomic images of 2D vitreous silica bilayers can offer valuable new insights which are hard to be observed directly in 3D silica models/experiments (for references see). However, the experimental results are prone to uncertainty in atomic positions, systematic errors, and being finite. We employ special boundary conditions developed for such networks to refine the experimental structures. We show the best structure can be found by using various potentials to maximize information gained from the experimental samples. We find a range of densities, the so-called flexibility window, in which tetrahedra are perfect. We compare results from simulations using harmonic potentials, MD with atomic polarizabilities included and DFT. We should thank David Drabold and Bishal Bhattarai for useful discussions. Support through NSF Grant # DMS 1564468 is gratefully acknowledged.

  14. FPGA Congestion-Driven Placement Refinement

    Energy Technology Data Exchange (ETDEWEB)

    Vicente de, J.

    2005-07-01

    The routing congestion usually limits the complete proficiency of the FPGA logic resources. A key question can be formulated regarding the benefits of estimating the congestion at placement stage. In the last years, it is gaining acceptance the idea of a detailed placement taking into account congestion. In this paper, we resort to the Thermodynamic Simulated Annealing (TSA) algorithm to perform a congestion-driven placement refinement on the top of the common Bounding-Box pre optimized solution. The adaptive properties of TSA allow the search to preserve the solution quality of the pre optimized solution while improving other fine-grain objectives. Regarding the cost function two approaches have been considered. In the first one Expected Occupation (EO), a detailed probabilistic model to account for channel congestion is evaluated. We show that in spite of the minute detail of EO, the inherent uncertainty of this probabilistic model impedes to relieve congestion beyond the sole application of the Bounding-Box cost function. In the second approach we resort to the fast Rectilinear Steiner Regions algorithm to perform not an estimation but a measurement of the global routing congestion. This second strategy allows us to successfully reduce the requested channel width for a set of benchmark circuits with respect to the widespread Versatile Place and Route (VPR) tool. (Author) 31 refs.

  15. Direct numerical simulation of bubbles with parallelized adaptive mesh refinement

    International Nuclear Information System (INIS)

    Talpaert, A.

    2015-01-01

    The study of two-phase Thermal-Hydraulics is a major topic for Nuclear Engineering for both security and efficiency of nuclear facilities. In addition to experiments, numerical modeling helps to knowing precisely where bubbles appear and how they behave, in the core as well as in the steam generators. This work presents the finest scale of representation of two-phase flows, Direct Numerical Simulation of bubbles. We use the 'Di-phasic Low Mach Number' equation model. It is particularly adapted to low-Mach number flows, that is to say flows which velocity is much slower than the speed of sound; this is very typical of nuclear thermal-hydraulics conditions. Because we study bubbles, we capture the front between vapor and liquid phases thanks to a downward flux limiting numerical scheme. The specific discrete analysis technique this work introduces is well-balanced parallel Adaptive Mesh Refinement (AMR). With AMR, we refined the coarse grid on a batch of patches in order to locally increase precision in areas which matter more, and capture fine changes in the front location and its topology. We show that patch-based AMR is very adapted for parallel computing. We use a variety of physical examples: forced advection, heat transfer, phase changes represented by a Stefan model, as well as the combination of all those models. We will present the results of those numerical simulations, as well as the speed up compared to equivalent non-AMR simulation and to serial computation of the same problems. This document is made up of an abstract and the slides of the presentation. (author)

  16. Investment in exploration-production and refining 2015

    International Nuclear Information System (INIS)

    Maisonnier, G.; Hureau, G.; Serbutoviez, S.; Silva, C.

    2016-01-01

    IFPEN analyses in this study the 2015 evolution of global investment in the field of exploration-production and refining: - Changes in oil and gas prices; - Investment in Exploration/Production: the end of an upward cycle; - Drilling and the global drilling market, upstream activities and markets; - 2015, a breath of fresh air for refining

  17. Effect of Chemical Refining on Citrullus Colocynthis and Pongamia ...

    African Journals Online (AJOL)

    Oil from the both plant seeds was evaluated (both before and after refining) for different physico-chemical parameters like free fatty acids, iodine value, peroxide value, saponification value, unsaponifiable matter and fatty acid composition. Oil yield (30-35 %) in both plants was found average. After refining, per cent reduction ...

  18. Optimization of Refining Craft for Vegetable Insulating Oil

    Science.gov (United States)

    Zhou, Zhu-Jun; Hu, Ting; Cheng, Lin; Tian, Kai; Wang, Xuan; Yang, Jun; Kong, Hai-Yang; Fang, Fu-Xin; Qian, Hang; Fu, Guang-Pan

    2016-05-01

    Vegetable insulating oil because of its environmental friendliness are considered as ideal material instead of mineral oil used for the insulation and the cooling of the transformer. The main steps of traditional refining process included alkali refining, bleaching and distillation. This kind of refining process used in small doses of insulating oil refining can get satisfactory effect, but can't be applied to the large capacity reaction kettle. This paper using rapeseed oil as crude oil, and the refining process has been optimized for large capacity reaction kettle. The optimized refining process increases the acid degumming process. The alkali compound adds the sodium silicate composition in the alkali refining process, and the ratio of each component is optimized. Add the amount of activated clay and activated carbon according to 10:1 proportion in the de-colorization process, which can effectively reduce the oil acid value and dielectric loss. Using vacuum pumping gas instead of distillation process can further reduce the acid value. Compared some part of the performance parameters of refined oil products with mineral insulating oil, the dielectric loss of vegetable insulating oil is still high and some measures are needed to take to further optimize in the future.

  19. Local grid refinement for free-surface flow simulations

    NARCIS (Netherlands)

    van der Plas, Peter

    2017-01-01

    The principal goal of the current study is to explore and investigate the potential of local grid refinement for increasing the numerical efficiency of free-surface flow simulations in a practical context. In this thesis we propose a method for local grid refinement in the free-surface flow model

  20. Using atomic energy in the oil refining and petrochemical industry

    Energy Technology Data Exchange (ETDEWEB)

    Feigin, E.A.; Barashkov, R.Ia.; Raud, E.A.

    1982-01-01

    A short description of the basic large scale processes for oil refining and petrochemistry in which nuclear reactors can be used is given. The possible industrial plans for using nuclear reactors are examined together with the problems in using the advances in atomic technology in oil refining and petrochemical processes.

  1. Cavitation-aided grain refinement in aluminium alloys

    NARCIS (Netherlands)

    Atamanenko, T.V.

    2010-01-01

    This thesis deals with grain refinement under the influence of ultrasonic-driven cavitation in aluminium casting processes. Three major goals of this research were: (1) to identify the mechanism of the cavitation-aided grain refinement at different stages of solidification; (2) to reveal the

  2. RBT—A Tool for Building Refined Buneman Trees

    DEFF Research Database (Denmark)

    Besenbacher, Søren; Mailund; Westh-Nielsen, Lasse

    2005-01-01

    We have developed a tool implementing an efficient algorithm for refined Buneman tree reconstruction. The algorithm—which has the same complexity as the neighbour-joining method and the (plain) Buneman tree construction—enables refined Buneman tree reconstruction on large taxa sets....

  3. Grain refining efficiency of Al-Ti-C alloys

    International Nuclear Information System (INIS)

    Birol, Yuecel

    2006-01-01

    The problems associated with boride agglomeration and the poisoning effect of Zr in Zr-bearing alloys have created a big demand for boron-free grain refiners. The potential benefits of TiC as a direct nucleant for aluminium grains have thus generated a great deal of interest in TiC-bearing alloys in recent years. In Al-Ti-C grain refiners commercially available today, Al 3 Ti particles are introduced into the melt along with the TiC particles. Since the latter are claimed to nucleate α-Al directly, it is of great technological interest to see if reducing the Ti:C ratio further, i.e., increasing the C content of the grain refiner, will produce an increase in the grain refining efficiency of these alloys. A series of grain refiner samples with the Ti concentration fixed at 3% and a range of C contents between 0 and 0.75 were obtained by appropriately mixing an experimental Al-3Ti-0.75C alloy with Al-10Ti alloy and commercial purity aluminium. The grain refining efficiency of these grain refiners was assessed to investigate the role of the insoluble TiC and the soluble Al 3 Ti particles. The optimum chemistry for the Al-Ti-C grain refiners was also identified

  4. Grain refining efficiency of Al-Ti-C alloys

    Energy Technology Data Exchange (ETDEWEB)

    Birol, Yuecel [Materials Institute, Marmara Research Center, TUBITAK, 41470 Gebze, Kocaeli (Turkey)]. E-mail: yucel.birol@mam.gov.tr

    2006-09-28

    The problems associated with boride agglomeration and the poisoning effect of Zr in Zr-bearing alloys have created a big demand for boron-free grain refiners. The potential benefits of TiC as a direct nucleant for aluminium grains have thus generated a great deal of interest in TiC-bearing alloys in recent years. In Al-Ti-C grain refiners commercially available today, Al{sub 3}Ti particles are introduced into the melt along with the TiC particles. Since the latter are claimed to nucleate {alpha}-Al directly, it is of great technological interest to see if reducing the Ti:C ratio further, i.e., increasing the C content of the grain refiner, will produce an increase in the grain refining efficiency of these alloys. A series of grain refiner samples with the Ti concentration fixed at 3% and a range of C contents between 0 and 0.75 were obtained by appropriately mixing an experimental Al-3Ti-0.75C alloy with Al-10Ti alloy and commercial purity aluminium. The grain refining efficiency of these grain refiners was assessed to investigate the role of the insoluble TiC and the soluble Al{sub 3}Ti particles. The optimum chemistry for the Al-Ti-C grain refiners was also identified.

  5. Integration with U.S. refining

    International Nuclear Information System (INIS)

    Boslett, T.

    2007-01-01

    The production of crude in western Canada is expected to increase significantly in the next 10 to 15 years as the development of oil sands leases continues. In particular, large-scale investments by major oil sands producers have focused on upgrading bitumen to light synthetic crude oil. Major refinery projects in the United States will take advantage of substantially lower capital costs to increase bitumen processing capabilities. In addition, by 2008, new pipeline projects will provide western Canada with more export capacity. The BP Energy Company is investing US$3 billion to increase the refining capacity of Canadian heavy crude at its refinery in Whiting, Indiana, which already has pipeline connectivity and long-term product placement capabilities. The project, which is scheduled to begin in 2011, will increase heavy blend processing capability to 260 thousand barrels per day and produce more than 1.7 million gallons of motor fuel per day. BP's investment has focused on the hydrogen unit, gas oil hydrotreater, hydrotreater revamps, a coker, a modular sulfur recovery unit, a sour water stripper complex, and 62 miles of piping. The refinery in Indiana has an experienced workforce and a greater availability of labor than in western Canada. Production forecasts indicate varying levels of heavy and light production, depending on the amount of condensate imports available. The project team will ensure that the refinery can handle the various levels of total acid number (TAN), sulfur and solids contained in Canadian heavy oils. The project risks are associated with uncertainties regarding production growth and quality; inflation risk as developments costs continue to rise for projects in Alberta; and regulatory risk that can impact bitumen cost. tabs., figs

  6. Refining of fossil resin flotation concentrate from western coal. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Jensen, G.F.; Miller, J.D.

    1995-02-16

    During the past several years, significant research efforts have been made to develop process technology for the selective flotation of fossil resin from western coals. As a result of these efforts, several new flotation technologies have been developed. Operation of a proof-of-concept continuous flotation circuit showed the selective flotation process to be sufficiently profitable to justify the development of a fossil resin industry. However, little attention has been given to the refining of the fossil resin flotation concentrate although solvent refining is a critical step for the fossil resin to become a marketable product. In view of this situation, DOE funded this two-year project to evaluate the following aspects of the fossil resin refining technology: 1) Characterization of the fossil resin flotation concentrate and its refined products; 2) Kinetics of fossil resin extraction; 3) Effects of operating variables on solvent extraction; 4) Extraction solvents; 5) Proof-of-concept continuous refining tests; and 6) Technical and economic analysis. The results from this research effort have led to the following conclusions: Hexane- or heptane-refined fossil resin has a light-yellow color, a melting point of 140 - 142{degrees}C, a density of 1.034 gram/cm, and good solubility in nonpolar solvents. Among the four solvents evaluated (hexane, heptane, toluene and ethyl acetate), hexane is the most appropriate solvent based on overall technical and economic considerations. Batch extraction tests and kinetic studies suggest that the main interaction between the resin and the solvent is expected to be the forces associated with solvation phenomena. Temperature has the most significant effect on extraction rate. With hexane as the solvent, a recovery of 90% cam be achieved at 50{degrees}C and 10% solids concentration with moderate agitation for 1 hour.

  7. Fundamentals and applications of neutron diffraction. Applications 7. Crystal structure analysis of fuel cell materials by means of neutron diffractometry

    International Nuclear Information System (INIS)

    Itoh, Takanori

    2010-01-01

    Perovskite oxides, which have 'A' atoms of an alkaline earth metal and/or a rare earth metal and 'B' atoms of a transition metal, have considerable potential for use in electrochemical devices such as cathodes of solid oxide fuel cells (SOFC), oxygen pumps, oxygen sensors, catalysts, and other devices such as oxygen separation membranes. The oxygen ion behavior is studied with relation performance of electrochemical devices. I have analyzed the crystal structure of SOFC materials by neutron diffraction. Using the Rietveld refinement technique, I showed that the O1(4c) and O2(8d) sites in a perovskite oxide of SOFC cathode material has different oxygen site occupancies. Furthermore, oxygen diffusion behavior is associated with temperature dependence of oxygen anisotropic atomic displacement parameters. The maximum entropy method (MEM) analysis of neutron diffraction measurements revealed nuclear scattering length distribution at high temperature by three-dimensional images in detail, therefore 1 found oxygen diffusion pass and new proton site in SOFC materials. From these results, neutron diffraction is confirmed to be very useful tool for the study of light element behavior in fuel cell materials. (author)

  8. Microstructural analysis of the {delta} to {alpha}' phase transformation in plutonium alloys using X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Platteau, C; Ravat, B; Texier, G; Oudot, B; Delaunay, F, E-mail: brice.ravat@cea.fr [CEA Valduc 21120 Is sur Tille (France)

    2010-03-15

    The partial martensitic {delta}{yields}{alpha}' transformation in plutonium alloys is sensitive to chemical composition, sample thermal history, as well as crystalline defects. The present work investigates the {delta}-Pu phase microstructure before and after the martensitic transformation {delta}{yields}{delta}+{alpha}'. More precisely, microstructural modifications of the host {delta}-phase, resulting from the stress induced by a cell volume difference of 19% between the {delta} and {alpha}'-phases, were analysed. Microstructural information about crystallite size and microstrain of a highly homogenized Pu-Ga alloy was extracted from x-ray diffraction patterns using a three dimension crystallite size and microstrain model. This is available in Rietveld refinement software and consists in anisotropic broadening analysis of diffraction peaks. Crystallite size doesn't significantly change with the phase transformation contrary to microstrain that is multiplied, on average, by five. Furthermore, internal normal and shear microstress are multiplied, respectively, by 2 and 13 when {alpha}'-phase appears. Last, dislocation densities, calculated from crystallite size and microstrain, are compared to TEM results available in the literature.

  9. Force field refinement from NMR scalar couplings

    Energy Technology Data Exchange (ETDEWEB)

    Huang Jing [Department of Chemistry, University of Basel, Klingelbergstrasse 80, 4056 Basel (Switzerland); Meuwly, Markus, E-mail: m.meuwly@unibas.ch [Department of Chemistry, University of Basel, Klingelbergstrasse 80, 4056 Basel (Switzerland)

    2012-03-02

    Graphical abstract: We show that two classes of H-bonds are sufficient to quantitatively describe scalar NMR coupling constants in small proteins. Highlights: Black-Right-Pointing-Pointer We present force field refinements based on explicit MD simulations using scalar couplings across hydrogen bonds. Black-Right-Pointing-Pointer This leads to {sup h3}J{sub NC{sup }{sup P}{sup r}{sup i}{sup m}{sup e}} couplings to within 0.03 Hz at best compared to experiment. Black-Right-Pointing-Pointer A classification of H-bonds according to secondary structure is not sufficiently robust. Black-Right-Pointing-Pointer Grouping H-bonds into two classes and reparametrization yields an RMSD of 0.07 Hz. Black-Right-Pointing-Pointer This is an improvement of 50. - Abstract: NMR observables contain valuable information about the protein dynamics sampling a high-dimensional potential energy surface. Depending on the observable, the dynamics is sensitive to different time-windows. Scalar coupling constants {sup h3}J{sub NC{sup }{sup P}{sup r}{sup i}{sup m}{sup e}} reflect the pico- to nanosecond motions associated with the intermolecular hydrogen bond network. Including an explicit H-bond in the molecular mechanics with proton transfer (MMPT) potential allows us to reproduce experimentally determined {sup h3}J{sub NC{sup }{sup P}{sup r}{sup i}{sup m}{sup e}} couplings to within 0.02 Hz at best for ubiquitin and protein G. This is based on taking account of the chemically changing environment by grouping the H-bonds into up to seven classes. However, grouping them into two classes already reduces the RMSD between computed and observed {sup h3}J{sub NC{sup }{sup P}{sup r}{sup i}{sup m}{sup e}} couplings by almost 50%. Thus, using ensemble-averaged data with two classes of H-bonds leads to substantially improved scalar couplings from simulations with accurate force fields.

  10. View from the market : the refiners' perspective

    International Nuclear Information System (INIS)

    Earnest, N.K.

    2003-01-01

    The western Canadian crude market area is vast, ranging from Puget Sound to Oklahoma to western Pennsylvania. The three main challenges facing western Canadian crude oil producers are high crude production volumes of heavy sour grades, strong competition for market share from the United States and offshore crudes, and the inability to access offshore global crude markets in meaningful volumes. The paper includes a map depicting core markets which have historically processed most of the crude produced in western Canada. The map also includes extended market areas where western Canadian crude sales are expected to increase as production increases. These regions will become the price setting areas for Canadian crude. Currently more than 40 per cent of the total crude produced in western Canada flows into the upper Midwest market. This paper summarized Canadian crude pricing mechanisms, noting that more than half of the oil consumed in North America is imported, linking North America with the pricing dynamics and supply/demand considerations of the global crude markets. The two key points that have to be considered in the Canadian crude pricing mechanisms is the economics of refining and parity point location. Crude grades such as light sweet or medium sour, are priced relative to one another depending on their differing values as a feedstock. The greatest determinant of relative crude grade value is the proportion produced of high value, light transportation fuels compared to low value, heavy products such as asphalt and heavy fuel oil. The value of crude oil is also influenced by the level of sulphur and metal content. A section of the paper was devoted to the pricing of heavy sour conventional and bitumen blend crudes, which is different than for lighter crude grades because of the near lack of competition from similar imported crude grades. A market optimization model used to analyze the future price relationships for Canadian crudes showed that the Canadian crude

  11. Asia-Pacific region's oil demand growth strains refining capacity

    International Nuclear Information System (INIS)

    Anon.

    1993-01-01

    The rapidly industrializing Asia-Pacific region has become a stand-alone economic force and the world's growth market for oil. Japan remains the region's premier economic powerhouse but no longer its only one. And Asia-Pacific economic fortunes have decoupled from the more-mature economies of Europe and the U.S. The East-West Center, Honolulu, in January projected Asia-Pacific average oil demand growth of 3.6%/year through 1999, nearly double what most economists expect for oil demand growth worldwide. Demand reached 14.5 million b/d in 1992, up 862,000 b/d from 1991. East-West Center analysts project demand of 16.4 million b/d in 1995 and 19.1 million b/d by 2000. Not all analysts expect such rapid growth for the region. Edward N. Krapels, president of Energy Security Analysis Inc., Washington, D.C., told a seminar in Houston during March that demand in Southeast Asia will grow at an average of 500,000 b/d/year. The paper discusses economic strength; regional demand; the pressure on refining; the shortfall seen; an opposing view from the Energy Security Analysis; and construction activity

  12. Assessing corrosion in oil refining and petrochemical processing

    Directory of Open Access Journals (Sweden)

    Randy C. John

    2004-03-01

    Full Text Available This paper summarizes the development of an information system used to manage corrosion of metals and alloys by high temperature gases found in many different oil refining, petrochemical, power generation, and chemical processes. The database currently represents about 7.9 million h of exposure time for about 5,500 tests with 89 commercial alloys for a temperature range of 200 - 1,200°C. The system manages corrosion data from well-defined exposures and determines corrosion product stabilities. New models used in the analysis of thermochemical data for the Fe-Ni-Cr-Co-C-O-S-N-H system are being compiled. All known phases based upon combinations of the elements have been analyzed to allow complete assessments of corrosion product stabilities. Use of these data allows prediction of stable corrosion products and hence identification of the possible dominant corrosion mechanisms. The system has the potential to be used in corrosion research, alloy development, failure analysis, lifetime prediction, and process operations evaluations. The corrosion mechanisms emphasized are oxidation, sulfidation, sulfidation/oxidation, and carburization.

  13. Directions in refining and upgrading of heavy oil and bitumen

    International Nuclear Information System (INIS)

    Dawson, B.; Parker, R. J.; Flint, L.

    1997-01-01

    The expansion of heavy oil transportation, marketing and refining facilities over the past two decades have been reviewed to show the strides that several Canadian refiners have taken to build up the facilities required to process synthetic crude oil (SCO). Key points made at a conference, convened by the National Centre for Upgrading Technology (NCUT), held in Edmonton during September 1997 to discuss current and future directions in the refining and marketing of heavy oil, bitumen and SCO, were summarized. Among the key points mentioned were: (1) the high entry barriers faced by centralized upgraders, (2) the advantages of integrating SCO or heavy oil production with downstream refining, (3) the stiff competition from Venezuela and Mexico that both SCO and heavy oil will face in the U.S. PADD II market, (4) the differences between Canadian refiners who have profited from hydrocracking and are better able to handle coker-based SCO, and American refiners who rely chiefly on catalytic cracking and are less able to process the highly aromatic SCO, and (5) the disproportionate cost in the upgrading process represented by the conversion of asphaltenes. Challenges and opportunities for key stakeholders, i.e. producers, refiners, marketers and technology licensors also received much attention at the Edmonton conference

  14. Parallel Adaptive Mesh Refinement for High-Order Finite-Volume Schemes in Computational Fluid Dynamics

    Science.gov (United States)

    Schwing, Alan Michael

    comparisons across a range of regimes. Unsteady and steady applications are considered in both subsonic and supersonic flows. Inviscid and viscous simulations achieve similar results at a much reduced cost when employing dynamic mesh adaptation. Several techniques for guiding adaptation are compared. Detailed analysis of statistics from the instrumented solver enable understanding of the costs associated with adaptation. Adaptive mesh refinement shows promise for the test cases presented here. It can be considerably faster than using conventional grids and provides accurate results. The procedures for adapting the grid are light-weight enough to not require significant computational time and yield significant reductions in grid size.

  15. Study of the crystallite size of nitrosylpentacyanoferrate through refinement of structures; Estudio del tamano de cristalita de nitrosilpentacianoferratos mediante refinamiento de estructuras

    Energy Technology Data Exchange (ETDEWEB)

    Jimenez G, J.A.; Yee M, H.T. [ESFM-IPN, 07738 Mexico D.F. (Mexico); Balmaceda E, J. [IIM-UNAM, 04510 Mexico D.F. (Mexico); Reguera R, E. [CICATA-IPN, Av. Legaria 694, 11500 Mexico D.F. (Mexico)

    2006-07-01

    The development reached in the instrumentation and in the computer science of the diffraction of rays X, it has enlarged the reach of the method of powders considerably, in the resolution of crystalline structures of polycrystalline material converting it in a potent tool that, attended by spectroscopic techniques, it allows the fine characterization to atomic scale of having been accustomed to crystalline. In the thesis it is developed an effective methodology of determination of the crystallite size and structural refinement starting from data of diffraction of powders, based on the use of the equation of Sherrer for the estimate of the crystallite size and the method of Rietveld for the structural refinement; supplemented with the employment of the spectroscopic methods (IR and Moessbauer). The combined use of these techniques in the structural study of having been accustomed to crystalline lens of high complexity provides a novel and advanced work. The estimate of the crystallite size, it has been little explored to study accustomed to crystalline such as the pentacyanonitrosyl ferrates. One of the reasons for the which have intended to study the glass size in these structures it is due to that the molecular materials have attracted the attention of the international scientific community for their promissory properties in fields so diverse as: the absorption, desorption and separation of gases among others. Of the entreated information by means of databases and articles of scientific popularization were refined the structures of two compounds (NPCo and NPNi) obtained by powders diffraction; offering the possibility to develop a titled work: 'Physical description of the desorption of the water in nano structured material of nitrosyl penta cyano ferrates' which is carried out in parallel way to this thesis. This tools supplemented with the spectroscopic methods, potent the reach of the methods of diffraction of powders for the structural study of having

  16. The Counseling Competencies Scale: Validation and Refinement

    Science.gov (United States)

    Lambie, Glenn W.; Mullen, Patrick R.; Swank, Jacqueline M.; Blount, Ashley

    2018-01-01

    Supervisors evaluated counselors-in-training at multiple points during their practicum experience using the Counseling Competencies Scale (CCS; N = 1,070). The CCS evaluations were randomly split to conduct exploratory factor analysis and confirmatory factor analysis, resulting in a 2-factor model (61.5% of the variance explained).

  17. Oil refining and product marketing developments in southeast Asia

    International Nuclear Information System (INIS)

    Szabo, A.M.

    1992-01-01

    Views on the future are based on supplies from a relatively stable Middle East and continued economic growth in the southeast Asian and Pacific countries. Under these circumstances the oil market for the Association of Southeast Asian Nations (ASEAN) will expand considerably during the decade of the 90's. Pacific country demand, 5.92 MMB/D, in 1990 is likely to grow to 7.06 MMB/D in 2000. Regional production could supply about 40% of this. The Asia-Pacific shortage of refining capacity could lead to high regional refined product prices and health refining profit margins. (author)

  18. Oil refining in U.S. foreign-trade zones

    International Nuclear Information System (INIS)

    Powell, S.J.; Potter, T.J.

    1991-01-01

    With the crude-oil import supply being as inexpensive as it is today, relative to domestic supply, many independents have been sourcing their crude-oil needs from abroad and have found it an opportune time to step up their level of refining activity. To further enhance their competitive position with respect to foreign refineries, certain domestic refiners have discovered the operational benefits and savings that result from having a refinery designated as a foreign-trade zone (FTZ) under the Foreign-Trade Zones Act of 1934, as amended. This paper examines the history and use of foreign-trade subzones for refining activities

  19. Refining processes in the copper casting technology

    OpenAIRE

    Rzadkosz, S.; Kranc, M.; Garbacz-Klempka, A.; Kozana, J.; Piękoś, M.

    2015-01-01

    The paper presents the analysis of technology of copper and alloyed copper destined for power engineering casts. The casts quality was assessed based on microstructure, chemical content analysis and strength properties tests. Characteristic deoxidising (Logas, Cup) and modifying (ODM2, Kupmod2) formulas were used for the copper where high electrical conductivity was required. Chosen examples of alloyed copper with varied Cr and Zr content were studied, and the optimal heat treatment parameter...

  20. Refining economics of U.S. gasoline: octane ratings and ethanol content.

    Science.gov (United States)

    Hirshfeld, David S; Kolb, Jeffrey A; Anderson, James E; Studzinski, William; Frusti, James

    2014-10-07

    Increasing the octane rating of the U.S. gasoline pool (currently ∼ 93 Research Octane Number (RON)) would enable higher engine efficiency for light-duty vehicles (e.g., through higher compression ratio), facilitating compliance with federal fuel economy and greenhouse gas (GHG) emissions standards. The federal Renewable Fuels Standard calls for increased renewable fuel use in U.S. gasoline, primarily ethanol, a high-octane gasoline component. Linear programming modeling of the U.S. refining sector was used to assess the effects on refining economics, CO2 emissions, and crude oil use of increasing average octane rating by increasing (i) the octane rating of refinery-produced hydrocarbon blendstocks for oxygenate blending (BOBs) and (ii) the volume fraction (Exx) of ethanol in finished gasoline. The analysis indicated the refining sector could produce BOBs yielding finished E20 and E30 gasolines with higher octane ratings at modest additional refining cost, for example, ∼ 1¢/gal for 95-RON E20 or 97-RON E30, and 3-5¢/gal for 95-RON E10, 98-RON E20, or 100-RON E30. Reduced BOB volume (from displacement by ethanol) and lower BOB octane could (i) lower refinery CO2 emissions (e.g., ∼ 3% for 98-RON E20, ∼ 10% for 100-RON E30) and (ii) reduce crude oil use (e.g., ∼ 3% for 98-RON E20, ∼ 8% for 100-RON E30).