Search results for "TOPOLOGY"

The azido ligand: a useful tool in designing chain compounds exhibiting alternating ferro- and antiferro-magnetic interactions

1997

A one-pot reaction of NiII 1, CoII 2, FeII 3 and MnII 4 with 2,2A-bipyridine (bipy) and azide in water leads to [M(bipy)(N3)2]n chains where the metal ion is alternatively bridged by double end-on (EO) and end-to-end (EE) azido bridges; theoretical analysis of the variable-temperature magnetic susceptibility data of 1 and 4 reveals the occurrence of intrachain alternating ferro- (through EO) and antiferro-magnetic (through EE) interactions. Julve Olcina, Miguel, Miguel.Julve@uv.es ; Lloret Pastor, Francisco, Francisco.Lloret@uv.es ; Clemente Juan, Juan Modesto, Juan.M.Clemente@uv.es

Bader’s topological analysis of the electron density in the pressure-induced phase transitions/amorphization in α-quartz from the catastrophe theory …

2013

In this work, the Bader's topological analysis of the electron density, coupled with Thom's catastrophe theory, was used to characterize the pressure-induced transformations in α-quartz. In particular, ab initio calculations of the α-quartz structures in the range 0-105 Gpa have been performed at the HF/DFT exchange-correlation terms level, using Hamiltonians based on a WC1LYP hybrid scheme. The electron densities calculated throughout the ab initio wave functions have been analysed by means of the Bader's theory, seeking for some catastrophic mechanism in the sense of Thom's theory. The analysis mainly showed that there is a typical fold catastrophe feature involving an O-O interaction at …

Bader's topologycal analysis of teh electron density and the laplacian in kaolinite and dikite.

2009

Bader's topologycal analysis of the electron density and the laplacian in TOT Phyllosilicates: the case of pyrophyllite and talc

2009

The pressure-induced ringwoodite to Mg-perovskite and periclase post-spinel phase transition: a Bader’s topological analysis of the ab initio electro…

2011

In order to characterize the pressure-induced decomposition of ringwoodite (c-Mg2SiO4), the topological analysis of the electron density q(r), based upon the theory of atoms in molecules (AIM) developed by Bader in the framework of the catastrophe theory, has been performed. Calculations have been carried out by means of the ab initio CRYSTAL09 code at the HF/DFT level, using Hamiltonians based on the Becke- LYP scheme containing hybrid Hartree– Fock/density functional exchange–correlation terms. The equation of state at 0 K has been constructed for the three phases involved in the post-spinel phase transition (ringwoodite -> Mg-perovskite + periclase) occurring at the transition zone–lower…

Grid methods and Hilbert space basis for simulations of quantum dynamics

1999

We discuss spatial grid methods adapted to the structure of Hilbert spaces, used to simulate quantum mechanical systems. We review the construction of Finite Basis Representation (FBR) and the Discrete Variable Representation (DVR). A mixed representation (pseudo-spectral method) is constructed through a quadrature relation linking both bases.

Bidirectional High-Efficiency Nonisolated Step-Up Battery Regulator

2011

The design and results of a high-efficiency high-power (5 kW) nonisolated bidirectional dc-dc converter is presented. High stability due to minimum phase behavior is an additional benefit of the topology. The converter is a new boost with output filter where input and output inductors are coupled. This converter is useful with any system that needs to charge and discharge backup batteries and can be applied in space, automotive, and telecom power systems.

A new efficiency low mass bi-directional battery discharge-charge regulator for low voltage batteries

2002

Since the policies of the space agencies are focused on the development of smaller satellites, it is becoming more and more important the save of volume and mass in the necessary satellite equipment. Due to this need, the authors introduce a bi-directional battery discharge-charge regulator for low voltage batteries that reaches these new goals and besides which has high efficiency.

E-bike battery charging: Methods and circuits

2013

Today, academic and industrial research is focused on innovative battery charging methods to ensure complete mobility of both handheld devices and electric vehicles. Wireless power transfer is actually the leading strategy even if efficiency related issues are to be solved for a successful marketing. In this paper, a wireless battery charging station is proposed for electric assisted pedal bikes. If compared with existing wireless solutions, the proposed system architecture improves power conversion efficiency of the charging equipment. The simulation model of the whole charging station is described in detail. The transmitter, receiver and inductive coupling circuits are described and desig…

Double precision errors in the logistic map: statistical study and dynamical interpretation.

2007

The nature of the round-off errors that occur in the usual double precision computation of the logistic map is studied in detail. Different iterative regimes from the whole panoply of behaviors exhibited in the bifurcation diagram are examined, histograms of errors in trajectories given, and for the case of fully developed chaos an explicit formula is found. It is shown that the statistics of the largest double precision error as a function of the map parameter is characterized by jumps whose location is determined by certain boundary crossings in the bifurcation diagram. Both jumps and locations seem to present geometric convergence characterized by the two first Feigenbaum constants. Even…