Search results for " atom"

showing 10 items of 1526 documents

Ab initio calculations of pure and Co+2-doped MgF2 crystals

2020

This research was partly supported by the Kazakhstan Science Project № AP05134367«Synthesis of nanocrystals in track templates of SiO2/Si for sensory, nano- and optoelectronic applications», as well as by Latvian Research Council project lzp-2018/1-0214. Calculations were performed on Super Cluster (LASC) in the Institute of Solid State Physics (ISSP) of the University of Latvia. Authors are indebted to S. Piskunov for stimulating discussions.

AB INITIO CALCULATIONSNuclear and High Energy PhysicsMaterials scienceSpin statesBand gapAb initioENERGY GAP02 engineering and technologyFLUORINE COMPOUNDS01 natural sciences7. Clean energyMolecular physicsAb initio quantum chemistry methodsCobalt dopant0103 physical sciencesPhysics::Atomic and Molecular Clusters:NATURAL SCIENCES:Physics [Research Subject Categories]MgF2010306 general physicsFluorideInstrumentationCOBALT DOPANTSDopantCRYSTAL ATOMIC STRUCTUREDopingCOBALT COMPOUNDSMAGNESIUM COMPOUNDSDOPANT ENERGY LEVELS021001 nanoscience & nanotechnologyVIBRATIONAL STRUCTURESCALCULATIONSCRYSTALSGROUND STATELinear combination of atomic orbitalsCELL PROLIFERATIONAb initioGROUND STATE LEVELS0210 nano-technologyGround state
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Large numbers of cold positronium atoms created in laser-selected Rydberg states using resonant charge exchange

2016

Lasers are used to control the production of highly excited positronium atoms (Ps*). The laser light excites Cs atoms to Rydberg states that have a large cross section for resonant charge-exchange collisions with cold trapped positrons. For each trial with 30 million trapped positrons, more than 700 000 of the created Ps* have trajectories near the axis of the apparatus, and are detected using Stark ionization. This number of Ps* is 500 times higher than realized in an earlier proof-of-principle demonstration (2004 Phys. Lett. B 597 257). A second charge exchange of these near-axis Ps* with trapped antiprotons could be used to produce cold antihydrogen, and this antihydrogen production is e…

ANTIHYDROGENGeneral PhysicsAntiparticlepositronium0205 Optical Physics0307 Theoretical And Computational ChemistryPLASMASCONFINEMENTPhysics Atomic Molecular & Chemical01 natural sciences010305 fluids & plasmasPositroniumsymbols.namesake0202 Atomic Molecular Nuclear Particle And Plasma PhysicsIonization0103 physical sciencesPhysics::Atomic and Molecular ClustersPhysics::Atomic Physics010306 general physicsAntihydrogenpositronsPhysicsCondensed Matter::Quantum GasesScience & TechnologyPhysicsOpticsRydberg statesCondensed Matter PhysicsAtomic and Molecular Physics and Opticscharge-exchangeExcited stateAntimatterPhysical SciencesRydberg formulasymbolsAtomic physicsLepton
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H-He collision-induced satellite in the Lyman alpha profile of DBA white dwarf stars

2020

The spectra of helium-dominated white dwarf stars with hydrogen in their atmosphere present a distinctive broad feature centered around 1160~\AA\/ in the blue wing of the Lyman-$\alpha$ line. It is extremely apparent in WD 1425+540 recently observed with HST COS. With new theoretical line profiles based on ab initio atomic interaction potentials we show that this feature is a signature of a collision-induced satellite due to an asymptotically forbidden transition. This quasi-molecular spectral satellite is crucial to understanding the asymmetrical shape of Lyman-$\alpha$ seen in this and other white dwarf spectra. Our previous work predicting this absorption feature was limited by molecular…

ATOMIC DATALINE: PROFILEAb initiochemistry.chemical_elementBASIS-SETLINEEXCITED-STATEAstrophysics::Cosmology and Extragalactic Astrophysics01 natural sciencesSpectral linePhysics - Atomic PhysicsWHITE DWARF0103 physical sciencesRadiative transferABSORPTIONAstrophysics::Solar and Stellar AstrophysicsAB-INITIO CALCULATIONPhysics::Atomic PhysicsELECTRONIC-TRANSITION MOMENT010306 general physicsSTARS: ATMOSPHERE010303 astronomy & astrophysicsHeliumLine (formation)POTENTIAL-ENERGY CURVEPhysics[PHYS]Physics [physics]BALMER-ALPHAWhite dwarfAstronomy and AstrophysicsMOLECULAR DATAPotential energyDipolechemistryAstrophysics - Solar and Stellar AstrophysicsSpace and Planetary ScienceATOMIC PROCESSSHAPE[PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]Atomic physics[PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph]
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Nuclear anapole moment interaction in BaF from relativistic coupled-cluster theory

2018

We present high accuracy relativistic coupled cluster calculations of the P-odd interaction coefficient $W_A$ describing the nuclear anapole moment effect on the molecular electronic structure. The molecule under study, BaF, is considered a promising candidate for the measurement of the nuclear anapole moment, and the preparation for the experiment is now underway [Altunas et al., Phys. Rev. Lett. 120, 142501 (2018)]. Influence of various computational parameters (size of the basis set, treatment of relativistic effects, and treatment of electron correlation) on the calculated $W_A$ coefficient is investigated and a recommended value of 147.7 Hz with an estimated uncertainty of 1.5% is prop…

ATOMIC PARITY NONCONSERVATIONDIATOMIC-MOLECULESP-ODDVIOLATIONAtomic Physics (physics.atom-ph)Nuclear TheoryDENSITY FUNCTIONALSFOS: Physical sciences01 natural sciences010305 fluids & plasmasPhysics - Atomic PhysicsENHANCEMENTMolecular electronic structure0103 physical sciencesIMPLEMENTATIONNuclear Experiment010306 general physicsBasis setPhysicsElectronic correlationELECTRIC-FIELD GRADIENTSDiatomic moleculeWEAK-INTERACTIONSCoupled clusterMoment (physics)Atomic physicsRelativistic quantum chemistryAPPROXIMATIONPhysical Review A
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Makro- un mikroelementu sastopamības variācijas mellenēs Vaccinium Myrtillus L.) un augsnē

2020

Darbā tika analizēts dzelzs, cinka, vara, kālija un fosfātjonu saturs mellenēs (Vaccinium myrtillus L.), krūmmellenēs (Vaccinium corymbosum) un to augsnē. Melleņu un augsnes paraugi tika ievākti meža teritorijā, kur tika mēslots ar vieglajiem koksnes pelniem. Krūmmelleņu ogu un augsnes paraugi tika ievākti privātmājas teritorijā, kur netika izmantots nekāds mēslojums. Veicot sauso mineralizāciju, ar liesmas atomabsorbciometrijas metodi noteikts dzelzs, cinka un vara saturs, fotometriski tika noteikts fosfātjonu saturs un ar liesmas fotometriju tika noteikts kālija saturs. Iegūtie rezultāti tika apstrādāti, izvērtēts noteikto elementu saturs mellenēs un krūmmellenēs, kā arī iegūtie rezultāti…

AUGSNEKRŪMMELLENES (VACCINIUM CORYMBOSUM)VIEGLIE KOKSNES PELNIMELLENES (VACCINIUM MYRTILLUS L.)LIESMAS ATOMABSORBCIOMETRIJAĶīmija
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Augsnes piesārņojuma ar smagajiem metāliskajiem elementiem izvērtējums dzelzceļa apkārtnē

2018

Augsnes piesārņojuma ar smagajiem metāliskajiem elementiem izvērtējums dzelzceļa apkārtnē. Jansons Ā., zinātniskais vadītājs Dr. chem., doc. Osīte A. Bakalaura darbs, 52 lappuses, 21 attēls, 7 tabulas, 25 literatūras avoti, 5 pielikumi. Latviešu valodā. Darba ietvaros ir veikta smago metālisko elementu – dzelzs, mangāna, vara, cinka, niķeļa un svina jonu kvantitatīvā analīze augsnes paraugos, kas ievākti Torņakalna, Jāņavārtu, Dārziņu un Kūdras dzelzceļa staciju apkārtnē – blakus stacijai (vilcienu bremzēšanas ceļa sākumā) un atstatus no tās. Vispirms tika veikta ievākto augsnes paraugu sagatavošana mineralizācijai (žāvēšana, homogenizēšana, sijāšana). Augsnes paraugu matricas sagraušana ti…

AUGSNESMAGIE METĀLISKIE ELEMENTILIESMAS ATOMABSORBCIJAS SPEKTROMETRIJADZELZCEĻŠPIESĀRŅOJUMSĶīmija
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Metālisko elementu saturs augsnē Liepājas Ziemeļu Fortu teritorijā

2019

Metālisko elementu saturs augsnē Liepājas Ziemeļu fortu teritorijā. Butkus D., darba vadītāja Mg. chem., lektore Balcerbule Z. Bakalaura darbs, 45 lappuses, 21 attēls, 18 tabulas, 32 literatūras avoti, 4 pielikumi. Latviešu valodā. Darbā ir veikta metālisko elementu analīze Ziemeļu fortu teritorijā ņemtajos augsnes paraugos. Augsnes izvilkumi gatavoti HNO3 šķīdumos, veikta arī mineralizācija ar mikroviļņu enerģiju. Elementu koncentrācijas tika noteiktas ar liesmas atomabsorbciometrijas un ICP – MS metodēm. Iegūtie rezultāti tika salīdzināti ar LR MK augsnes un grunts kvalitātes normatīviem un literatūrā pieejamiem datiem.

AUGSNES PIESĀRŅOJUMSMETĀLISKIE ELEMENTILIEPĀJAS ZIEMEĻU FORTIINDUKTĪVI SAISTĪTĀS PLAZMAS MASSPEKTROMETRIJALIESMAS ATOMABSORBCIOMETRIJAĶīmija
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Kinetics of the intestinal uptake of zinc acexamate in normal and zinc-depleted rats.

1990

Abstract The uptake of zinc as acexamic acid salt in the small intestine of the anaesthetized rat was shown to be a two-phase process in normal animals. The first phase is rapid mucosal binding which satisfies the Freundlich isotherm equation and which involves about 30 per cent of the initially perfused zinc. The second phase was characterized as an apparent absorption step which obeys Michaelis-Menten and first-order combined kinetics, with the following parameters: Vm = 6.51 mg h−1; Km = 2.96 mg; ka = 0.306 h−1. In largely non-saturated conditions, an apparent global rate constant of about 2.50 h−1 was calculated. No significant interference due to endogenous zinc excretion into the smal…

Absorption (pharmacology)MaleKineticsPharmaceutical Sciencechemistry.chemical_elementZincExcretionReaction rate constantPharmacokineticsIntestine SmallmedicineAnimalsFreundlich equationIntestinal MucosaPharmacologyAminocaproatesSpectrophotometry AtomicRats Inbred StrainsSmall intestineRatsPerfusionZincmedicine.anatomical_structureBiochemistrychemistryIntestinal AbsorptionAminocaproic AcidBiophysicsThe Journal of pharmacy and pharmacology
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Investigation of water sorption and aluminum releases from high viscosity and resin modified glass ionomer.

2019

Background High viscosity glass ionomer cement (HVGIC) and resin-modified glass ionomer cement (RMGIC) have recently been clinically preferred thanks to their numerous advantages. However, initial moisture contamination has a negative effect on the mechanical and physical properties of these cements. The aim of this study was in vitro of HVGICs and RMGICs, with and without surface protection, on water sorption, solubility and release of aluminum. Material and Methods In this study, as HVGICs; Equia Forte, IonoStar Plus, Riva Self Cure; as RMCIS, Ionolux and Riva Light Cure; and as control, Z250 universal composite was used. Equia coat, Voco varnish and Riva coat were chosen as surface prote…

Absorption of waterMaterials scienceMoistureResearchVarnishComposite numberGlass ionomer cementchemistry.chemical_element030206 dentistry:CIENCIAS MÉDICAS [UNESCO]Operative Dentistry and Endodontics03 medical and health sciences0302 clinical medicinechemistryAluminiumvisual_artUNESCO::CIENCIAS MÉDICASvisual_art.visual_art_mediumSolubilityComposite materialGraphite furnace atomic absorptionGeneral Dentistry030217 neurology & neurosurgeryJournal of clinical and experimental dentistry
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External pressure and composition effects on the atomic and electronic structure of SnWO4

2015

The atomic and electronic structure of tin tungstates, α-SnWO4, α-Sn1.03W0.99O4 and β-SnWO4 ,w as studied by the W L3-edge X-ray absorption spectroscopy and first-principles linear combination of atomic orbital (LCAO) calculations based on the hybrid exchange-correlation density functional (DFT)/ Hartree–Fock (HF) scheme. It was found that the crystal structure of both α-phases is built up of strongly distorted WO6 octahedra, whereas that of β-SnWO4 is composed of nearly regular WO4 tetrahedra. In addition, there are distorted SnO6 octahedra in both α- and β-phases. The metal–oxygen octahedra distortion is explained by the second-order Jahn–Teller effect. The influence of pressure on the st…

Absorption spectroscopyExtended X-ray absorption fine structureRenewable Energy Sustainability and the EnvironmentBand gapChemistryElectronic structureCrystal structureMolecular physicsSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsCrystallographyAtomic orbitalOctahedronLinear combination of atomic orbitalsddc:530
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