Search results for "RATIO"
showing 10 items of 33258 documents
Contrasting topologies for regular interconnection networks under the constraints of nanoscale silicon technology
2010
Nowadays, system designers have adopted Networks-on-Chip as communication infrastructure of general-purpose tile-based Multi-Processor System-on-Chip (MPSoC). Such decision implies that a certain topology has to be selected to efficiently interconnect many cores on the chip. To ease such a choice, the networking literature offers a plethora of works about topology analysis and characterization for the off-chip domain. However, theoretical parameters and many intuitive assumptions of such off-chip networks do not necessarily hold when a topology is laid out on a 2D silicon surface. This is due to the distinctive features of silicon technology design pitfalls. This work is a first milestone t…
Run-time scalable NoC for FPGA based virtualized IPs
2017
The integration of virtualized FPGA-based hardware accelerators in a cloud computing is progressing from time to time. As the FPGA has limited resources, the dynamic partial reconfiguration capability of the FPGA is considered to share resources among different virtualized IPs during runtime. On the other hand, the NoC is a promising solution for communication among virtualized FPGA-based IPs. However, not all the virtualized regions of the FPGA will be active all the time. When there is no demand for virtualized IPs, the virtualized regions are loaded with blank bitstreams to save power. However, keeping active the idle components of the NoC connecting with the idle virtualized regions is …
Estimating ion confinement times from beam current transients in conventional and charge breeder ECRIS
2019
International audience; Cumulative ion confinement times are probed by measuring decaying ion current transients in pulsed material injection mode. The method is applied in a charge breeder and conventional ECRIS yielding mutually corroborative results. The cumulative confinement time estimates vary from approximately 2 ms–60 ms with a clear dependence on the ion charge-to-mass ratio—higher charges having longer residence times. The long cumulative confinement times are proposed as a partial explanation to recently observed unexpectedly high ion temperatures. The results are relevant for rare ion beam (RIB) production as the confinement time and the lifetime of stable isotopes can be used f…
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…
Quasi-RRHO approximation and DFT study for understanding the mechanism and kinetics of nitration reaction of benzonitrile with nitronium ion
2021
Abstract The nitration reaction of benzonitrile with nitronium cation, NO2+, has been studied within the Molecular Electron Density Theory at the MN15-L/aug-cc-pVTZ level of theory. For this electrophilic aromatic substitution (EAS) reaction, three regioisomeric reaction paths have been studied. Quasi-RRHO approximation was applied to consider the vibrational contribution to entropy and correct the Gibbs free energy profile of the reaction in the solvent phase. Benzonitrile is less nucleophilically activated than benzene due to the presence of the electron-withdrawing CN group the meta position is the more favorable reaction path of this EAS reaction. The analysis of ELF and AIM demonstrate…
Hexacarbonyls of Mo, W, and Sg: Metal–CO Bonding Revisited
2017
Calculations of the first bond dissociation energies (FBDEs) and other molecular properties of M(CO)6, where M = Mo, W, and Sg, have been performed using a variety of nonrelativistic and relativistic methods, such as ZORA-DFT, X2c+AMFI-CCSD(T), and Dirac–Coulomb density functional theory. The aim of the study is to assist experiments on the measurements of the FBDE of Sg(CO)6. We have found that, different from the results published earlier, the metal–CO bond in Sg(CO)6 should be weaker than that in W(CO)6. A comparison of the relativistic and nonrelativistic FBDE values, as well as molecular orbital and vibrational frequency analyses within both the nonrelativistic and relativistic approac…
High excitations in coupled-cluster series: vibrational energy levels of ammonia
2004
The ammonia molecule containing large amplitude inversion motion is a revealing system in examining high-order correlation effects on potential energy surfaces. Correlation contributions to the equilibrium and saddle point geometries, inversion barrier height and vibrational energy levels, including inversion splittings, have been investigated. A six-dimensional Taylor-type series expansion of the Born–Oppenheimer potential energy surface, which is scaled to different levels of theory, is used to determine vibrational energy levels and inversion splittings variationally. The electronic energies are calculated by coupled-cluster methods, combining explicitly correlated R12 theory (which incl…
Enhanced alignment and orientation of polar molecules by vibrational resonant adiabatic passage
2007
The authors show that polar molecules can be adiabatically aligned and oriented by laser pulses more efficiently when the laser frequencies are vibrationally resonant. The aligned molecules are found in a superposition of vibrational pendular states, each associated with the alignment of the rotor in one vibrational state. The authors construct the dressed potential associated with this mechanism. Values of detunings and field amplitudes are given to optimize the degree of alignment and orientation for the CO molecule.
Effect of molecular Stokes shift on polariton dynamics
2021
When the enhanced electromagnetic field of a confined light mode interacts with photoactive molecules, the system can be driven into the regime of strong coupling, where new hybrid light-matter states, polaritons, are formed. Polaritons, manifested by the Rabi split in the dispersion, have shown potential for controlling the chemistry of the coupled molecules. Here, we show by angle-resolved steady-state experiments accompanied by multi-scale molecular dynamics simulations that the molecular Stokes shift plays a significant role in the relaxation of polaritons formed by organic molecules embedded in a polymer matrix within metallic Fabry-Pérot cavities. Our results suggest that in the case …
Measurement of the laser resonance ionization efficiency for lutetium
2019
Abstract The development of a highly efficient resonance ionization scheme for lutetium is presented. A laser ion source, based on the all-solid-state Titanium:sapphire laser system, was used at the 30 keV RISIKO off-line mass separator to characterize different possible optical excitation schemes in respect to their ionization efficiency. The developed laser resonance ionization scheme can be directly applied to the use at radioactive ion beam facilities, e. g. at the CERN-MEDICIS facility, for large-scale production of medical radioisotopes.