Search results for "theory"
showing 10 items of 24627 documents
Parameter sensitivity of flux-linkage based sensorless control for permanent magnet synchronous motors
2017
Sensorless control can be utilized to reduce cost, size and total complexity of a motor drive or enhance reliability of the system. This paper first presents a sensorless control algorithm for a surface permanent-magnet synchronous motor (SPMSM) based on estimated flux linkages and stator currents. Within the algorithm, rotor position error can be predicted by comparing the estimated currents with measured stator currents. Performance of the sensorless control based on flux-linkages and the dependency of the algorithm on motor parameters is then numerically investigated via simulations. It is found from the investigation that the accuracy of the method depends on the motor working condition…
Space‐vector state dynamic model of SynRM considering self‐ and cross‐saturation and related parameter identification
2020
This study proposes a state formulation of the space-vector dynamic model of the Synchronous Reluctance Motor (SynRM) considering both saturation and cross-saturation effects. The proposed model adopts the stator currents as state variables and has been theoretically developed in both the rotor and stator reference frames. The proposed magnetic model is based on a flux versus current approach and relies on the knowledge of 11 parameters. Starting from the definition of a suitable co-energy variation function, new flux versus current functions have been initially developed, based on the hyperbolic functions and, consequently, the static and dynamic inductance versus current functions have be…
Diagrammatic Expansion for Positive Spectral Functions in the Steady-State Limit
2019
Recently, a method was presented for constructing self-energies within many-body perturbation theory that are guaranteed to produce a positive spectral function for equilibrium systems, by representing the self-energy as a product of half-diagrams on the forward and backward branches of the Keldysh contour. We derive an alternative half-diagram representation that is based on products of retarded diagrams. Our approach extends the method to systems out of equilibrium. When a steady-state limit exists, we show that our approach yields a positive definite spectral function in the frequency domain.
Simplified feedback control system for scanning tunneling microscopy
2021
A Scanning Tunneling Microscope (STM) is one of the most important scanning probe tools available to study and manipulate matter at the nanoscale. In a STM, a tip is scanned on top of a surface with a separation of a few \AA. Often, the tunneling current between tip and sample is maintained constant by modifying the distance between the tip apex and the surface through a feedback mechanism acting on a piezoelectric transducer. This produces very detailed images of the electronic properties of the surface. The feedback mechanism is nearly always made using a digital processing circuit separate from the user computer. Here we discuss another approach, using a computer and data acquisition thr…
Effect of surface disorder on the domain structure of PLZT ceramics
2017
ABSTRACTPb1-xLax(Zr0.65Ti0.35)1-x/4O3 (PLZT x/65/35) ceramics were studied by Piezoresponse Force Microscopy in order to understand the origin of domain structure as a function of La content. We show that the domain topology is mainly determined by the composition and grain size. The characteristic correlation length decreases with increasing La content, being sensitive also to the synthesis method. The behavior of the correlation length is linked to the macroscopic properties, showing a strong increase of disorder with La doping. The roughness exponent for the domain wall in PLZT 9/65/35 is close to 2/3 indicating 1D character of domain walls in relaxors.
Composition dependence ofSi1−xGexsputter yield
2005
Sputtering yields have been measured for unstrained ${\mathrm{Si}}_{1\ensuremath{-}x}{\mathrm{Ge}}_{x}$ $(x=0--1)$ alloys when bombarded with ${\mathrm{Ar}}^{+}$ ions within the linear cascade regime. Nonlinear S-shape dependence of the sputter yield as a function of the alloy composition has been revealed. The dependence is analyzed within the frameworks of the cascade theory conventionally accepted to be the most systematic to date theoretical approach in sputtering. In view of a linear composition dependence predicted for the sputter yield by the cascade theory adapted for polyatomic substrates, the nonlinearity observed in our experiments is shown to be related to the alloying effect on…
Carbonyl-functionalized quaterthiophenes: a study of the vibrational Raman and electronic absorption/emission properties guided by theoretical calcul…
2011
This work investigates the evolution of the molecular, vibrational, and optical properties within a family of carbonyl-functionalized quaterthiophenes: 5,5'''-diheptanoyl-2,2':5',2'':5'',2'''-quaterthiophene (1), 5,5'''-diperfluorohexylcarbonyl-2,2':5',2'':5'',2'''-quaterthiophene (2), and 2,7-[bis(5-perfluorohexylcarbonylthien-2-yl)]-4H-cyclopenta[2,1-b:3,4-b']-dithiophene-4-one (3). The analysis is performed by Raman and UV/Vis absorption/excitation/fluorescence spectroscopy in combination with density functional calculations. Theoretical calculations show that substitution with carbonyl groups and perfluorohexyl chains induces progressive quinoidization of the π-conjugated backbone in co…
Multi-scale multireference configuration interaction calculations for large systems using localized orbitals: Partition in zones
2012
A new multireference configuration interaction method using localised orbitals is proposed, in which a molecular system is divided into regions of unequal importance. The advantage of dealing with local orbitals, i.e., the possibility to neglect long range interaction is enhanced. Indeed, while in the zone of the molecule where the important phenomena occur, the interaction cut off may be as small as necessary to get relevant results, in the most part of the system it can be taken rather large, so that results of good quality may be obtained at a lower cost. The method is tested on several systems. In one of them, the definition of the various regions is not based on topological considerati…
A QM/MM Approach Using the AMOEBA Polarizable Embedding: From Ground State Energies to Electronic Excitations
2016
International audience; A fully polarizable implementation of the hybrid Quantum Mechanics/Molecular Mechanics approach is presented, where the classical environment is described through the AMOEBA polarizable force field. A variational formalism, offering a self-consistent 1 relaxation of both the MM induced dipoles and the QM electronic density is used for ground state energies and extended to electronic excitations in the framework of Time-Dependent Density Functional Theory combined with a state specific response of the classical part. An application to the calculation of the solvatochromism of the pyridinium N-phenolate betaine dye used to define the solvent ET30 scale is presented. Th…
Origin of Enzymatic Kinetic Isotope Effects in Human Purine Nucleoside Phosphorylase
2017
Here we report a study of the effect of heavy isotope labeling on the reaction catalyzed by human purine nucleoside phosphorylase (hPNP) to elucidate the origin of its catalytic effect and of the enzymatic kinetic isotope effect (EKIE). Using quantum mechanical and molecular mechanical (QM/MM) molecular dynamics (MD) simulations, we study the mechanism of the hPNP enzyme and the dynamic effects by means of the calculation of the recrossing transmission coefficient. A free energy surface (FES), as a function of both a chemical and an environmental coordinate, is obtained to show the role of the environment on the chemical reaction. Analysis of reactive and nonreactive trajectories allows us …