Search results for "Computational Mathematic"
showing 10 items of 987 documents
Quantum chemical modelling of point defects in KNbO3 perovskite crystals
2000
Abstract We present results of semi-empirical quantum chemical calculations for several perovskite KNb x Ta 1−x O 3 (KTN) solid solutions, as well as point intrinsic defects – F centers and hole polarons bound to K vacancy – in KNbO 3 . Method of the intermediate neglect of the differential overlap (INDO) was combined with typically 320-atom supercells and atomic geometry optimization. Analysis of the optimized atomic and electronic structure has clearly demonstrated that several nearest Nb atoms substituting for Ta in KTaO 3 – unlike Ta impurities in KNbO 3 – reveal the self-ordering effect, which probably triggers the ferroelectricity observed in KTN. We predict co-existence of one-site (…
Comparison of parallel implementation of some multi-level Schwarz methods for singularly perturbed parabolic problems
1999
Abstract Parallel multi-level algorithms combining a time discretization and an overlapping domain decomposition technique are applied to the numerical solution of singularly perturbed parabolic problems. Two methods based on the Schwarz alternating procedure are considered: a two-level method with auxiliary “correcting” subproblems as well as a three-level method with auxiliary “predicting” and “correcting” subproblems. Moreover, modifications of the methods using time extrapolation on subdomain interfaces are investigated. The emphasis is given to the description of the algorithms as well as their computer realization on a distributed memory multiprocessor computer. Numerical experiments …
An Efficient Numerical Method for Time Domain Computational Electromagnetic Simulation
2018
In this paper an efficient numerical method in approximating the electric and magnetic fields is provided. The method is based on an implicit leapfrog arrangement in time and without mesh in space. Moreover, a projection scheme is introduced in order to improve the accuracy of the proposed approach and applied into the computational electromagnetic (CEM) framework. The PDEs governing the process are solved and some numerical results are reported to validate the numerical process.
Intermittent and passivity based control strategies for a hyperchaotic system
2013
In this paper a four-dimensional hyperchaotic system with only one equilibrium is consid- ered and it is shown how the control and the synchronization of this system can be realized via two different control techniques. Firstly, we propose a periodically intermittent con- troller to stabilize the system states to the equilibrium and to achieve the projective syn- chronization of the system both in its periodic and hyperchaotic regime. Then, based on the stability properties of a passive system, we design a linear passive controller, which only requires the knowledge of the system output, to drive the system trajectories asymptoti- cally to the origin. Using the same passivity-based method, …
Efficient computation of root mean square deviations under rigid transformations
2013
The computation of root mean square deviations (RMSD) is an important step in many bioinformatics applications. If approached naively, each RMSD computation takes time linear in the number of atoms. In addition, a careful implementation is required to achieve numerical stability, which further increases runtimes. In practice, the structural variations under consideration are often induced by rigid transformations of the protein, or are at least dominated by a rigid component. In this work, we show how RMSD values resulting from rigid transformations can be computed in constant time from the protein's covariance matrix, which can be precomputed in linear time. As a typical application scenar…
Graphical metric space: a generalized setting in fixed point theory
2016
Building on recent ideas of Jachymski, we work on the notion of graphical metric space and prove an analogous result for the contraction mapping principle. In particular, the triangular inequality is replaced by a weaker one, which is satisfied by only those points which are situated on some path included in the graphical structure associated with the space. Some consequences, examples and an application to integral equations are presented to confirm the significance and unifying power of obtained generalizations.
Cocharacters of group graded algebras and multiplicities bounded by one
2017
Let G be a finite group and A a G-graded algebra over a field F of characteristic zero. We characterize the (Formula presented.)-ideals (Formula presented.) of graded identities of A such that the multiplicities (Formula presented.) in the graded cocharacter of A are bounded by one. We do so by exhibiting a set of identities of the (Formula presented.)-ideal. As a consequence we characterize the varieties of G-graded algebras whose lattice of subvarieties is distributive.
The diamond partial order in rings
2013
In this paper we introduce a new partial order on a ring, namely the diamond partial order. This order is an extension of a partial order defined in a matrix setting in [J.K. Baksalary and J. Hauke, A further algebraic version of Cochran's theorem and matrix partial orderings, Linear Algebra and its Applications, 127, 157--169, 1990]. We characterize the diamond partial order on rings and study its relationships with other partial orders known in the literature. We also analyze successors, predecessors and maximal elements under the diamond order.
Finitely fibered Rosenthal compacta and trees
2009
We study some topological properties of trees with the interval topology. In particular, we characterize trees which admit a 2-fibered compactification and we present two examples of trees whose one-point compactifications are Rosenthal compact with certain renorming properties of their spaces of continuous functions.
Lie properties of symmetric elements in group rings
2009
Abstract Let ∗ be an involution of a group G extended linearly to the group algebra KG . We prove that if G contains no 2-elements and K is a field of characteristic p ≠ 2 , then the ∗-symmetric elements of KG are Lie nilpotent (Lie n -Engel) if and only if KG is Lie nilpotent (Lie n -Engel).