Search results for "Computer Science Applications"

showing 10 items of 3993 documents

Interpretation of EXAFS in ReO3using molecular dynamics simulations

2009

Temperature dependent Re L3-edge EXAFS signals from perovskite-type cubic ReO3 have been successfully interpreted using a combination of classical NVT molecular dynamics (MD) and ab initio multiple-scattering approach. The force field model, required for MD simulations, has been determined by fitting the Re-O and O-O pairwise interatomic potentials to a set of experimental data (lattice parameter, elastic constants and bulk modulus) and phonon frequencies, theoretically calculated from the first principles at high symmetry points of the Brillouin zone. The MD simulations reproduce well the anisotropy of thermal vibration for oxygen atoms and confirm a deviation of the mean Re-O-Re angle fro…

HistoryBulk modulusCondensed matter physicsPhononChemistryAb initioMolecular physicsForce field (chemistry)Computer Science ApplicationsEducationBrillouin zoneCondensed Matter::Materials ScienceMolecular dynamicsLattice constantAnisotropyJournal of Physics: Conference Series
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Omnibus experiment: CPT and CP violation with sterile neutrinos

2017

The verification of the sterile neutrino hypothesis and, if confirmed, the determination of the relevant oscillation parameters is one of the goals of the neutrino physics in near future. We propose to search for the sterile neutrinos with a high statistics measurement utilizing the radioactive sources and oscillometric approach with large liquid scintillator detector like LENA, JUNO, or RENO-50. Our calculations indicate that such an experiment is realistic and could be performed in parallel to the main research plan for JUNO, LENA, or RENO-50. Assuming as the starting point the values of the oscillation parameters indicated by the current global fit (in 3 + 1 scenario) and requiring at le…

HistoryCP violationPhysics::Instrumentation and Detectorssterile neutrinosneutrino oscillometryHigh Energy Physics::PhenomenologyneutriinotHigh Energy Physics::ExperimentCPT violationComputer Science ApplicationsEducationJournal of Physics: Conference Series
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Application of micro Raman spectroscopy to industrial FC membranes

2007

Raman spectra of as-received and protonated membranes (Nafion® NRE-212, Fumapem® F-14100 and Fumasep® FAA) were measured with He-Cd and Ar laser. For the first time the Raman and IR spectra are reported of Fumasep membranes. Most of peaks in vibration spectra active in Raman and IR of membranes are interpreted with C-F, C-S, C-O-C, SO3, C-C bonds. The vibration region connected with protons and H-O bond in both types of membranes is found in Raman and IR spectra.

HistoryChemistryAnalytical chemistryInfrared spectroscopyProtonationVibration spectraLaserComputer Science ApplicationsEducationMicro raman spectroscopylaw.inventionsymbols.namesakeMembranelawsymbolsRaman spectroscopyJournal of Physics: Conference Series
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High-precision mass measurements for fundamental applications using highly-charged ions with SMILETRAP

2007

The Penning trap mass spectrometer SMILETRAP takes advantage of highly-charged ions for high-accuracy mass measurements. In this paper recent mass measurements on Li and Ca ions are presented and their impact on fundamental applications discussed, especially the need for accurate mass values of hydrogen-like and lithium-like ions in the evaluation of the electron g-factor measurements in highly-charged ions is emphasized. Such experiments aim to test bound state quantum electrodynamics. Here the ionic mass is a key ingredient, which can be the limiting factor for the final precision.

HistoryChemistryBound stateIonic bondingElectronIon trapAtomic physicsPenning trapMass spectrometryComputer Science ApplicationsEducationIonJournal of Physics: Conference Series
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The β-decay approach for studying 12C

2008

6 pags., 3 figs. -- 9th International Conference on Clustering Aspects of Nuclear Structure and Dynamics (CLUSTERS'07) 3–7 September 2007, Stratford upon Avon, UK

HistoryChemistryDetectorCoincidenceComputer Science ApplicationsEducationNuclear physicsmedicine.anatomical_structuremedicineMirror nucleiAtomic physicsSpin (physics)NucleusEnergy (signal processing)Journal of Physics: Conference Series
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Positive ion extraction across the superfluid-vapor helium interface

2009

The extraction efficiency of positive (219)Rn ions across the superfluid-vapor helium interface above similar to 1.3 K indicates that extraction results from thermal activation across a barrier of about 20 K. Below similar to 1.3 K, the extraction efficiency is constant at about 0.7%. The evaporation of the superfluid surface by second sound pulses has a negative impact on the ion extraction, but not on the ions themselves. It takes 3.2( 6) s at 1.60 K and 15( 6) s at 1.15 K for the extraction process to recover from a disturbed state of yet unknown nature.

HistoryChemistryExtraction (chemistry)EvaporationAnalytical chemistrychemistry.chemical_elementComputer Science ApplicationsEducationIonSuperfluidityThermalSecond soundAtomic physicsHeliumJournal of Physics: Conference Series 150, 032086 (2009)
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Multiplet coupling and band structure in L2,3-edge XAS through multi-channel multiple scattering theory.

2009

International audience; Using the recently developed multi-channel multiple scattering (MCMS) method we have calculated the x-ray absorption spectra (XAS) at the L2,3-edge of transition metal compounds. The MCMS method is an ab initio scheme which combines an accurate description of the band structure of the material with a correlated many-electron wave function on the absorber atom. Thereby configuration interaction in the XAS final state, in particular multiplet effects, can be taken into account. In the present implementation, we use an electron-hole wave function and treat the interaction with all other electrons on a mean-field level. The calculated spectra agree well with experiment f…

HistoryChemistryMagnetic circular dichroismScatteringAb initio02 engineering and technologyConfiguration interaction021001 nanoscience & nanotechnology7. Clean energy01 natural sciencesSpectral lineComputer Science ApplicationsEducationCondensed Matter::Materials Science0103 physical sciencesAtomic physics010306 general physics0210 nano-technologyElectronic band structureGround stateMultiplet
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Measurements of ground-state properties for nuclear structure studies by precision mass and laser spectroscopy

2011

Atomic physics techniques like Penning-trap and storage-ring mass spectrometry as well as laser spectroscopy have provided sensitive high-precision tools for detailed studies of nuclear ground-state properties far from the valley of β-stability. Mass, moment and nuclear charge radius measurements in long isotopic and isotonic chains have allowed extraction of nuclear structure information such as halos, shell and subshell closures, the onset of deformation, and the coexistence of nuclear shapes at nearly degenerate energies. This review covers experimental precision techniques to study nuclear ground-state properties and some of the most recent results for nuclear structure studies.

HistoryChemistryNuclear TheoryDegenerate energy levelsNuclear structureRadiusMass spectrometryEffective nuclear chargeComputer Science ApplicationsEducationMoment (physics)Physics::Atomic PhysicsAtomic physicsNuclear ExperimentGround stateSpectroscopyJournal of Physics: Conference Series
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Experimental study of the 15O(2p, γ)17Ne cross section by Coulomb Dissociation for the rp process

2016

6th Nuclear Physics in Astrophysics Conference (NPA), Lisbon, Portugal, 19 May 2013 - 24 May 2013; Journal of physics / Conference Series 665, 012046 (2016). doi:10.1088/1742-6596/665/1/012046

HistoryChemistryNuclear structurechemistry.chemical_elementrp-process[PHYS.NEXP]Physics [physics]/Nuclear Experiment [nucl-ex]530Dissociation (chemistry)Computer Science ApplicationsEducationIonSubatomär fysikFragmentation (mass spectrometry)Subatomic PhysicsCoulombNuclear Physics - ExperimentBerylliumAtomic physicsNuclear Experiment[PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph]Excitation
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Finite-range separable pairing interaction within the new N3LO DFT approach

2011

For over four decades, the Skyrme functional within various parametrizations has been used to calculate nuclear properties. In the last few years there was a number of attempts to improve its performance and introduce generalized forms. In particular, the most general phenomenological quasi-local energy density functional, which contains all combinations of density, spin-density, and their derivatives up to the sixth order (N3LO), was proposed in [1]. Since in the phenomenological-functional approaches, the particle-particle (pp) channel is treated independently of the particle-hole (ph) channel, there remains a question of what pairing interaction is suitable to use within the N3LO energy …

HistoryCode (set theory)Energy density functionalFinite rangeComputer Science ApplicationsEducationSeparable spaceClassical mechanicsPairingStatistical physicsInvariant (mathematics)Energy functionalMathematicsCommunication channelJournal of Physics: Conference Series
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