Search results for "Boundary"
showing 10 items of 1626 documents
First-principles study of nitrogen doping in cubic and amorphous Ge2Sb2Te5
2011
We investigated the structural, electronic and vibrational properties of amorphous and cubic Ge(2)Sb(2)Te(5) doped with N at 4.2 at.% by means of large scale ab initio simulations. Nitrogen can be incorporated in molecular form in both the crystalline and amorphous phases at a moderate energy cost. In contrast, insertion of N in the atomic form is very energetically costly in the crystalline phase, though it is still possible in the amorphous phase. These results support the suggestion that N segregates at the grain boundaries during the crystallization of the amorphous phase, resulting in a reduction in size of the crystalline grains and an increased crystallization temperature.
Transfer coefficients for the liquid–vapor interface of a two-component mixture
2011
Abstract We present the excess entropy production for heat and mass transport across an interface of a non-ideal two-component mixture, using as interface variables the excess densities proposed by Gibbs. With the help of these variables we define the interface as an autonomous system in local equilibrium and study its transport properties. The entropy production determines the conjugate fluxes and forces, and equivalent forms are given. The forms contain finite differences of intensive variables into and across the surface as driving forces. These expressions for the fluxes serve as boundary conditions for integration across heterogeneous systems that are far from global equilibrium. The r…
On-Surface Synthesis of Unsaturated Carbon Nanostructures with Regularly Fused Pentagon–Heptagon Pairs
2020
Multiple fused pentagon-heptagon pairs are frequently found as defects at the grain boundaries of the hexagonal graphene lattice and are suggested to have a fundamental influence on graphene-related materials. However, the construction of sp2-carbon skeletons with multiple regularly fused pentagon-heptagon pairs is challenging. In this work, we found that the pentagon-heptagon skeleton of azulene was rearranged during the thermal reaction of an azulene-incorporated organometallic polymer on Au(111). The resulting sp2-carbon frameworks were characterized by high-resolution scanning probe microscopy techniques and feature novel polycyclic architectures composed of multiple regularly fused pen…
Improved embedded molecular cluster model
2002
We demonstrate that boundary effects (i.e., displacements of the cluster boundary atoms from their lattice sites and the difference between effective charges of the perfect crystal atoms and those of the cluster atoms in the case of a cluster with no point defect in it) in an embedded molecular cluster (EMC) model can be radically reduced. A new embedding scheme is proposed. It includes search for the structural elements (SE) of which perfect crystal is composed, use of corresponding to these SE expression for the total energy, and application of the degree of localization of equations consistent with the wave functions of the cluster. To get equations for the cluster wave functions, the pr…
P-T path development derived from shearband boudin microstructure
2016
This work focuses on the development of a regional P-T-path from the Malpica-Lamego Ductile Shear Zone, NW Portugal, based on the microstructures of shearband boudins evolved during progressive simple shear. The combination of microstructural analysis, fluid inclusion studies, crystallographic pre- ffered orientation and fractal geometry analyses, allows to link several stages in the internal evolution of the boudin to regional P-T conditions. The boudinage process is initiated under differential stress after the original layer achieved sufficient viscosity contrast relative to the surrounding matrix. Two main transformations occur simultaneously: i) change in the external shape with contin…
Use of Ultrasound in Reconditioning by Welding of Tools Used in the Process of Regenerating Rubber
2018
Addressing the problem of reconditioning large parts is of particular importance, due to their value and to the fact that the technologies for their reconditioning are very complex. The tools used to refine regenerated rubber which measure 660 mm in diameter and 2130 mm in length suffer from a rather fast dimensional wear. Within this research, the authors looked for a welding reconditioning procedure that would allow a very good adhesion between the deposited material layer and the base material. In this regard, the MAG (Metal Active Gas) welding process was used, but the ultrasonic activation of the welding process was also considered. Thus, the wire used for welding was activated conside…
Radial symmetry of minimizers to the weighted Dirichlet energy
2020
AbstractWe consider the problem of minimizing the weighted Dirichlet energy between homeomorphisms of planar annuli. A known challenge lies in the case when the weight λ depends on the independent variable z. We prove that for an increasing radial weight λ(z) the infimal energy within the class of all Sobolev homeomorphisms is the same as in the class of radially symmetric maps. For a general radial weight λ(z) we establish the same result in the case when the target is conformally thin compared to the domain. Fixing the admissible homeomorphisms on the outer boundary we establish the radial symmetry for every such weight.
Systematisation of Systems Solving Physics Boundary Value Problems
2020
A general conservation law that defines a class of physical field theories is constructed. First, the notion of a general field is introduced as a formal sum of differential forms on a Minkowski manifold. By the action principle the conservation law is defined for such a general field. By construction, particular field notions of physics, e.g., magnetic flux, electric field strength, stress, strain etc. become instances of the general field. Hence, the differential equations that constitute physical field theories become also instances of the general conservation law. The general field and the general conservation law together correspond to a large class of relativistic hyperbolic physical …
THE TOPOLOGY OF BASIN BOUNDARIES IN A CLASS OF THREE-DIMENSIONAL DYNAMICAL SYSTEMS
1996
We will develop new methods to determine the topology of the basin boundary in a class of three-dimensional dynamical systems. One approach is to approximate the basin boundary by backward integration. Unfortunately, there are dynamical systems where it is hard to approximate the basin boundary by a numerical backward integration algorithm. We will introduce topological methods which will provide new information about the structure of the basin boundary. The topological invariants which we will use can be numerically computed.
A two-phase problem with Robin conditions on the free boundary
2020
We study for the first time a two-phase free boundary problem in which the solution satisfies a Robin boundary condition. We consider the case in which the solution is continuous across the free boundary and we prove an existence and a regularity result for minimizers of the associated variational problem. Finally, in the appendix, we give an example of a class of Steiner symmetric minimizers. peerReviewed