Search results for "init"

showing 10 items of 6629 documents

Comparative theoretical study of the Ag–MgO (100) and (110) interfaces

1999

We have calculated the atomic and electronic structures of Ag–MgO(100) and (110) interfaces using a periodic (slab) model and an ab initio Hartree–Fock approach with a posteriori electron correlation corrections. The electronic structure information includes interatomic bond populations, effective charges, and multipole moments of ions. This information is analyzed in conjunction with the interface binding energy and the equilibrium distances for both interfaces for various coverages. There are significant differences between partly covered surfaces and surfaces with several layers of metal, and these can be understood in terms of electrostatics and the electron density changes. For complet…

(100) and (110) interfacesElectronic correlationChemistryBinding energyAb initioElectronic structureSurfaces and InterfacesElectrostaticsCondensed Matter PhysicsMolecular physicsSurfaces Coatings and FilmsCrystallographyAg–MgOAb initio quantum chemistry methodsImage interaction modelMonolayerAtomAdhesionMaterials ChemistryAdsorptionHartree–Fock methodSurface Science
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Integrative analysis of the mineralogical and chemical composition of modern microbialites from ten Mexican lakes: What do we learn about their forma…

2021

International audience; Interpreting the environmental conditions under which ancient microbialites formed relies upon comparisons with modern analogues. This is why we need a detailed reference framework relating the chemical and mineralogical compositions of modern microbialites to the physical and chemical parameters prevailing in the environments where they form. Here, we measured the chemical, including major and trace elements, and mineralogical composition of microbialites from ten Mexican lakes as well as the chemical composition of the surrounding waters. Saturation states of lakes with different mineral phases were systematically determined and correlations between solution and so…

(Mg-)calcite010504 meteorology & atmospheric sciencesREE+YDolomiteGeochemistryalkalinityengineering.material010502 geochemistry & geophysics01 natural sciencesaragonitechemistry.chemical_compoundmonohydrocalciteGeochemistry and Petrologyhydromagnesite0105 earth and related environmental sciencesCalciteAragoniteTrace elementmicrobialitesAuthigenic6. Clean waterDiagenesisMonohydrocalcitecrater lakechemistry13. Climate actionkerolite[SDE]Environmental SciencesengineeringCarbonate
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CCDC 265063: Experimental Crystal Structure Determination

2006

Related Article: C.Platas-Iglesias, L.Vaiana, D.Esteban-Gomez, F.Avecilla, J.A.Real, A.de Blas, T.Rodriguez-Blas|2005|Inorg.Chem.|44|9704|doi:10.1021/ic051119h

(NN'-bis(2-Aminobenzyl)-110-diaza-15-crown-5)-manganese(ii) dinitrate acetonitrile solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 814708: Experimental Crystal Structure Determination

2011

Related Article: N.Khiri, E.Bertrand, M.-J.Ondel-Eymin, Y.Rousselin, J.Bayardon, P.D.Harvey, S.Juge|2010|Organometallics|29|3622|doi:10.1021/om100520u

(eta4-Cyclo-octa-15-diene)-((Sp)-(-)-(((1S2R)-2-(diphenylphosphinito)-1-methyl-2-phenylethyl)(methyl)amino)-(35-dimethyl-4-propoxy)phosphane)-rhodium tetrafluoroborate dichloromethane n-hexane solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Two-dimensional Banach spaces with polynomial numerical index zero

2009

We study two-dimensional Banach spaces with polynomial numerical indices equal to zero.

/dk/atira/pure/subjectarea/asjc/2600/2608/dk/atira/pure/subjectarea/asjc/2600/2607Eberlein–Šmulian theoremBanach manifoldFinite-rank operatorPolynomialMatrix polynomialFOS: MathematicsDiscrete Mathematics and Combinatorics/dk/atira/pure/subjectarea/asjc/2600/2602C0-semigroupLp spaceMathematicsMathematics::Functional AnalysisNumerical AnalysisBanach spaceAlgebra and Number TheoryMathematical analysisFunctional Analysis (math.FA)Mathematics - Functional Analysis46B04 (Primary) 46B20 46G25 47A12 (Secondary)Polynomial numerical indexInterpolation space/dk/atira/pure/subjectarea/asjc/2600/2612Geometry and TopologyNumerical rangeMonic polynomialLinear Algebra and its Applications
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Derivation of a Homogenized Two-Temperature Model from the Heat Equation

2014

This work studies the heat equation in a two-phase material with spherical inclusions. Under some appropriate scaling on the size, volume fraction and heat capacity of the inclusions, we derive a coupled system of partial differential equations governing the evolution of the temperature of each phase at a macroscopic level of description. The coupling terms describing the exchange of heat between the phases are obtained by using homogenization techniques originating from [D. Cioranescu, F. Murat: Coll\`ege de France Seminar vol. 2. (Paris 1979-1980) Res. Notes in Math. vol. 60, pp. 98-138. Pitman, Boston, London, 1982.]

01 natural sciencesHomogenization (chemistry)Heat capacity010305 fluids & plasmasTwo temperatureMathematics - Analysis of PDEsThermal nonequilibrium models0103 physical sciencesFOS: Mathematics[MATH.MATH-AP]Mathematics [math]/Analysis of PDEs [math.AP]0101 mathematicsScalingMSC 35K05 35B2776T05 (35Q79 76M50)35K05 35B27 76T05 (35Q79 76M50)MathematicsNumerical AnalysisHomogenizationPartial differential equationInfinite diffusion limitApplied MathematicsHeat equationMathematical analysis010101 applied mathematicsComputational MathematicsThermal non-equilibrium modelsModeling and SimulationVolume fractionHeat equationAnalysisAnalysis of PDEs (math.AP)
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Hybrid Equilibrium Finite Element Formulation for Cohesive Crack Propagation

2019

Equilibrium elements have been developed in hybrid formulation with independent equilibrated stress fields on each element. Traction equilibrium condition, at sides between adjacent elements and at sides of free boundary, is enforced by use of independent displacement laws at each side, assumed as Lagrangian parameters. The displacement degrees of freedom belongs to the element side, where an extrinsic interface can be embedded. The embedded interface is defined by the same stress fields of the hybrid equilibrium element and it does not require any additional degrees of freedom. The extrinsic interface is developed in the consistent thermodynamic framework of damage mechanics with internal …

010101 applied mathematics020303 mechanical engineering & transportsMaterials science0203 mechanical engineeringMechanics of MaterialsMechanical EngineeringGeneral Materials ScienceFracture mechanics02 engineering and technologyMechanics0101 mathematics01 natural sciencesFinite element methodKey Engineering Materials
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On two classes of finite supersoluble groups

2017

ABSTRACTLet ℨ be a complete set of Sylow subgroups of a finite group G, that is, a set composed of a Sylow p-subgroup of G for each p dividing the order of G. A subgroup H of G is called ℨ-S-semipermutable if H permutes with every Sylow p-subgroup of G in ℨ for all p∉π(H); H is said to be ℨ-S-seminormal if it is normalized by every Sylow p-subgroup of G in ℨ for all p∉π(H). The main aim of this paper is to characterize the ℨ-MS-groups, or groups G in which the maximal subgroups of every Sylow subgroup in ℨ are ℨ-S-semipermutable in G and the ℨ-MSN-groups, or groups in which the maximal subgroups of every Sylow subgroup in ℨ are ℨ-S-seminormal in G.

010101 applied mathematicsCombinatoricsDiscrete mathematicsComplement (group theory)Finite groupAlgebra and Number TheoryLocally finite group010102 general mathematicsSylow theoremsOrder (group theory)0101 mathematics01 natural sciencesMathematicsCommunications in Algebra
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Defect zero characters predicted by local structure

2017

Let $G$ be a finite group and let $p$ be a prime. Assume that there exists a prime $q$ dividing $|G|$ which does not divide the order of any $p$-local subgroup of $G$. If $G$ is $p$-solvable or $q$ divides $p-1$, then $G$ has a $p$-block of defect zero. The case $q=2$ is a well-known result by Brauer and Fowler.

010101 applied mathematicsPure mathematicsFinite groupGeneral Mathematics010102 general mathematicsZero (complex analysis)Order (group theory)0101 mathematics01 natural sciencesLocal structurePrime (order theory)MathematicsBulletin of the London Mathematical Society
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Removing the saturation assumption in Bank-Weiser error estimator analysis in dimension three

2020

International audience; We provide a new argument proving the reliability of the Bank-Weiser estimator for Lagrange piecewise linear finite elements in both dimension two and three. The extension to dimension three constitutes the main novelty of our study. In addition, we present a numerical comparison of the Bank-Weiser and residual estimators for a three-dimensional test case.

010103 numerical & computational mathematicsResidual01 natural sciencesPiecewise linear function: Multidisciplinaire généralités & autres [C99] [Ingénierie informatique & technologie]Dimension (vector space)Bank-Weiser estimatorApplied mathematicsfinite element methodssaturation assumption0101 mathematicsReliability (statistics)Mathematicsresidual estimatorBank-WeiserestimatorApplied Mathematics: Multidisciplinary general & others [C99] [Engineering computing & technology]NoveltyEstimatorExtension (predicate logic)16. Peace & justiceFinite element methoda posteriori error estimation010101 applied mathematics: Mathematics [G03] [Physical chemical mathematical & earth Sciences]: Mathématiques [G03] [Physique chimie mathématiques & sciences de la terre][MATH.MATH-NA]Mathematics [math]/Numerical Analysis [math.NA]
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