Search results for " Boundary"
showing 10 items of 686 documents
Absence of element specific ferromagnetism in Co doped ZnO investigated by soft X-ray resonant reflectivity
2010
On the quest for the intrinsic origin of ferromagnetism (FM) in ZnO doped with a few percent transition metal, we show detailed X-ray resonant magnetic reflectivity (XRMR) measurements, performed at the Co L2,3 and the O K edges of pulsed laser deposition (PLD) prepared samples. These samples show ferromagnetism at room temperature (RT) (QUID: about 2μB /Co). But in contrast to the QUID measurements, element specific reflection measurements as a function of angle (θ-2θ scans) and energy (const. qz) do not show any sign of ferromagnetism. Therefore, we can exclude without doubt Co as a possible origin for FM in this system. Our results are in perfect agreement with earlier published XMCD dat…
Experimental and Theoretical Electron Density Determination for Two Norbornene Derivatives: Topological Analysis Provides Insights on Reactivity
2016
The electron density distribution of two substituted norbornene derivatives (cis-5-norbornene-endo-2,3-dicarboxylic anhydride (1) and 7-oxabicylo[2.2.1]hept-5-ene-exo-2,3-dicarboxylic anhydride (2) has been determined from low-temperature (20 K) X-ray diffraction data and from DFT calculations with periodic boundary conditions. Topological analysis of the electron density is discussed with respect to exo-selective additions, the partial retro-Diels-Alder (rDA) character of the ground state, and intermolecular interaction energies.
Structure and Physical Properties of Na1/2Bi1/2TiO3-CdTiO3Solid Solutions
2011
Behaviour of ferroelectric properties in Na1/2Bi1/2TiO3-CdTiO3 solid solutions correlates with dependence of lattice symmetry versus concentration of constituents. However, some overlapping is observed in concentration range close to the morphotropic phase boundary. The properties of dielectric permittivity, characteristic for relaxor ferroelectrics, diminish, if concentration of CdTiO3 increases, but it is not influenced by the change of crystallographic symmetry. The electromechanical properties are mostly pronounced in the range of cubic-tetragonal morphotropic phase boundary.
Continuous spectrum for a two phase eigenvalue problem with an indefinite and unbounded potential
2020
Abstract We consider a two phase eigenvalue problem driven by the ( p , q ) -Laplacian plus an indefinite and unbounded potential, and Robin boundary condition. Using a modification of the Nehari manifold method, we show that there exists a nontrivial open interval I ⊆ R such that every λ ∈ I is an eigenvalue with positive eigenfunctions. When we impose additional regularity conditions on the potential function and the boundary coefficient, we show that we have smooth eigenfunctions.
Breakdown of separability due to confinement
2017
A simple system of two particles in a bidimensional configurational space S is studied. The possibility of breaking in S the time-independent Schrodinger equation of the system into two separated one-dimensional one-body Schrodinger equations is assumed. In this paper, we focus on how the latter property is countered by imposing such boundary conditions as confinement to a limited region of S and/or restrictions on the joint coordinate probability density stemming from the sign-invariance condition of the relative coordinate (an impenetrability condition). Our investigation demonstrates the reducibility of the problem under scrutiny into that of a single particle living in a limited domain …
Experimental characterization of micromechanical and microphological properties of nickel base alloys strained by the growth of an ovide payer made i…
2011
The loss of the corrosion resistance of the alloy 600, a nickel base alloy, during the oxidation in pressurized water reactor (PWR) has been demonstrated by many studies. It induces the intergranular stress corrosion cracking (IGSCC). If the chemical composition and the structure of the growing oxide are well-known, the mechanical influence of the oxide on the alloy has not been fully studied, yet. This study aims at bringing new knowledge of the oxidation impact on the mechanical response of the alloy. A new methodology is introduced for determining the local nanodeformation of the alloy 600 induced either by an oxidation or by a tensile loading. This method is based on nanodots disposed a…
A novel boundary element formulation for anisotropic fracture mechanics
2019
Abstract A novel boundary element formulation for two-dimensional fracture mechanics is presented in this work. The formulation is based on the derivation of a supplementary boundary integral equation to be used in combination with the classic displacement boundary integral equation to solve anisotropic fracture mechanics problems via a single-region approach. The formulation is built starting from the observation that the displacement field for an anisotropic domain can be represented as the superposition of a vector field, whose components satisfy a suitably defined anisotropic Laplace equation, and the gradient of the Airy stress function. The supplementary boundary integral equation is …
Dominance of microstructural processes and their effect on microstructural development: insights from numerical modelling of dynamic recrystallization
2002
The influence of the dominance of different processes on the microstructural development of a quarzite has been numerically modelled using the modelling system Elle. In the model dynamic recrystallization of a polycrystalline aggregate has been simulated by a combination of viscous deformation, lattice rotation, subgrain formation, rotation recrystallization, nucleation of new grains and recovery. Different combinations of the dominance of processes are considered by variations in values of the grain boundary mobility and the energy threshold value for recrystallization by nucleation of new grains. In addition, two different starting microstructures (fine and coarse grained) are used. Resul…
Unusual finite size effects in the Monte Carlo simulation of microphase formation of block copolymer melts
1995
Extensive Monte Carlo simulations are presented for the Fried-Binder model of block copolymer melts, where polymer chains are represented as self and mutually avoiding walks on a simple cubic lattice, and monomer units of different kind (A, B) repel each other if they are nearest neighbors (e AB > O). Choosing a chain length N = 20, vacancy concentration Φ v = 0,2, composition f = 3/4, and a L × L × L geometry with periodic boundary conditions and 8 ≤ L ≤ 32, finite size effects on the collective structure factor S(q) and the gyration radii are investigated. It is shown that already above the microphase separation transition, namely when the correlation length ζ(T) of concentration fluctuat…
Length-scale effects in the nucleation of extended dislocations in nanocrystalline Al by molecular-dynamics simulation
2001
The nucleation of extended dislocations from the grain boundaries in nanocrystalline aluminum is studied by molecular-dynamics simulation. The length of the stacking fault connecting the two Shockley partials that form the extended dislocation, i.e., the dislocation splitting distance, rsplit, depends not only on the stacking-fault energy but also on the resolved nucleation stress. Our simulations for columnar grain microstructures with a grain diameter, d, of up to 70 nm reveal that the magnitude of rsplit relative to d represents a critical length scale controlling the low-temperature mechanical behavior of nanocrystalline materials. For rsplit>d, the first partials nucleated from the bou…