Search results for "conical"
showing 10 items of 109 documents
Excitation of Nucleobases from a Computational Perspective I: Reaction Paths
2013
The main intrinsic photochemical events in nucleobases can be described on theoretical grounds within the realm of non-adiabatic computational photochemistry. From a static standpoint, the photochemical reaction path approach (PRPA), through the computation of the respective minimum energy path (MEP), can be regarded as the most suitable strategy in order to explore the electronically excited isolated nucleobases. Unfortunately, the PRPA does not appear widely in the studies reported in the last decade. The main ultrafast decay observed experimentally for the gas-phase excited nucleobases is related to the computed barrierless MEPs from the bright excited state connecting the initial Franck…
Generation of multiphoton Fock states by bichromatic adiabatic passage: Topological analysis
2004
We propose a robust scheme to generate multi-photon Fock states in an atom-maser-cavity system using adiabatic passage techniques and topological properties of the dressed eigenenergy surfaces. The mechanism is an exchange of photons from the maser field into the initially empty cavity by bichromatic adiabatic passage. The number of exchanged photons depends on the design of the adiabatic dynamics through and around the conical intersections of dressed eigenenergy surfaces.
Ultrafast decay of the excited singlet states of thioxanthone by internal conversion and intersystem crossing.
2010
The experimental ultrafast photophysics of thioxanthone in several aprotic organic solvents at room temperature is presented, measured using femtosecond transient absorption together with high-level ab initio CASPT2 calculations of the singlet- and triplet-state manifolds in the gas phase, including computed state minima and conical intersections, transition energies, oscillator strengths, and spin-orbit coupling terms. The initially populated singlet pi pi* state is shown to decay through internal conversion and intersystem crossing processes via intermediate n pi* singlet and triplet states, respectively. Two easily accessible conical intersections explain the favorable internal conversio…
Conical Two-Phase Swirl Flow Atomizers—Numerical and Experimental Study
2021
This paper presents the results of numerical simulations for the developed and discussed conical two-phase atomizers with swirl flow, differing in the ratio of the height of the swirl chamber to its diameter. Experiments were carried out for SAN-1 with HS/DS = 1 and SAN-2 with HS/DS = 4 atomizers. The study was conducted over a range of Reynolds number for liquid ReL = (1400
Finite Element Method and Von Mises Investigation on Bone Response to Dynamic Stress with a Novel Conical Dental Implant Connection
2020
The bioengineering and medical and biomedical fields are ever closer, and they manage to obtain surprising results for the development of new devices. The field of simulations and studies in silica has undergone considerable development in recent years, favoring the advancement of medicine. In this manuscript, a study was carried out to evaluate the force distribution on the implant components (In-Kone® Universal) and on the peri-implant tissues subjected to loading. With the finite element analysis and the Von Mises method, it was possible to evaluate this distribution of forces both at 0 degrees (occlusal force) and at 30 degrees; the applied force was 800 N. The obtained results on this …
Measurement of gap between abutment and fixture in dental conical connection implants. A focused ion beam SEM observation
2020
Background The aim of the authors was to examine the abutment-fixture interface in Morse-type conical implants in order to verify gaps at this level using a new microscopical approach. Material and Methods In this in vitro study, 20 abutment-fixture complexes were prepared by sectioning (longitudinal and cross-sectional to the long axis) with a microtome and then with a focused ion beam (FIB). This is a micrometric machine tool that uses gallium ions to abrade circumscribed areas to dig deeper into the cuts obtained with the microtome in order to eliminate cut-induced artifacts. This is because the FIB abrasion is practically free from artifacts, which are normally generated by the action o…
Two- and three-state conical intersections in the electron capture dissociation of disulfides: The importance of multireference calculations
2011
The SS bond cleavage produced upon electron attachment to disulfides was generally assumed to be an adiabatic process because the added electron occupies the σ*(SS) antibonding orbital. This is clearly the case in the parent HSSH compound, but not necessarily in XSSX′ derivatives, where the substituents X and X′ are different. Through the use of MS-CASPT2 calculations, we have shown that the dissociation of the SS two-center-three-electron bond in these asymmetric XSSX′ compounds requires the interaction of at least two states, in order to localize the extra electron in one of the fragments upon dissociation. This is actually the case for the CH3SSNH2 derivative, where the most favorable di…
Nonlinear analysis of cylindrical and conical hysteretic whirl motions in rotor-dynamics
2014
Abstract The internal friction of a rotor–shaft-support system is mainly due to the shaft structural hysteresis and to some possible shrink-fit release of the assembly. The experimentation points out the destabilizing effect of the internal friction in the over-critical rotor running. Nevertheless, this detrimental influence may be efficiently counterbalanced by other external dissipative sources located in the supports or by a proper anisotropic configuration of the support stiffness. The present analysis considers a rotor–shaft system which is symmetric with respect to the mid-span and is constrained by viscous-flexible supports with different stiffness on two orthogonal planes. The cylin…
Experimental characterisation of the CIRA plasma wind tunnel SCIROCCO test section
2008
Abstract During the Validation Phase of the CIRA-PWT SCIROCCO Facility located at Capua (Italy), a test campaign has been carried out to verify the performances of the facility with the use of the two conical nozzle configurations “D” and “F” with exit diameters are, respectively of, 1150 and 1950 mm. For the first time the data results of the tests have been used to characterize the plasma flow in the test section of the facility. In particular, analytical relationships between the main thermo-fluid-dynamic parameters in the test section and the reservoir conditions of the facility have been found, and compared to the CFD prediction developed during the Design Phase of the facility. Very i…
Calcium binding and ionic conduction in single conical nanopores with polyacid chains: model and experiments.
2012
Calcium binding to fixed charge groups confined over nanoscale regions is relevant to ion equilibrium and transport in the ionic channels of the cell membranes and artificial nanopores. We present an experimental and theoretical description of the dissociation equilibrium and transport in a single conical nanopore functionalized with pH-sensitive carboxylic acid groups and phosphonic acid chains. Different phenomena are simultaneously present in this basic problem of physical and biophysical chemistry: (i) the divalent nature of the phosphonic acid groups fixed to the pore walls and the influence of the pH and calcium on the reversible dissociation equilibrium of these groups; (ii) the asym…