Search results for "Atomi"
showing 10 items of 28717 documents
Atomic layer deposition of aluminum oxide on modified steel substrates
2016
Abstract Al 2 O 3 thin films were grown by atomic layer deposition to thicknesses ranging from 10 to 90 nm on flexible steel substrates at 300 °C using Al(CH 3 ) 3 and H 2 O as precursors. The films grown to thicknesses 9–90 nm covered the rough steel surfaces uniformly, allowing reliable evaluation of their dielectric permittivity and electrical current densities with appreciable contact yield. Mechanical behavior of the coatings was evaluated by nanoindentation. The maximum hardness values of the Al 2 O 3 films on steel reached 12 GPa and the elastic modulus exceeded 280 GPa.
The role of radio frequency scattering in high-energy electron losses from minimum-B ECR ion source
2021
Abstract The measurement of the axially lost electron energy distribution escaping from a minimum-B electron cyclotron resonance ion source in the range of 4–800 keV is reported. The experiments have revealed the existence of a hump at 150–300 keV energy, containing up to 15% of the lost electrons and carrying up to 30% of the measured energy losses. The mean energy of the hump is independent of the microwave power, frequency and neutral gas pressure but increases with the magnetic field strength, most importantly with the value of the minimum-B field. Experiments in pulsed operation mode have indicated the presence of the hump only when microwave power is applied, confirming that the origi…
The biased disc of an electron cyclotron resonance ion source as a probe of instability-induced electron and ion losses
2019
International audience; Electron Cyclotron Resonance Ion Source (ECRIS) plasmas are prone to kinetic instabilities resulting in loss of electron and ion confinement. It is demonstrated that the biased disk of an ECRIS can be used as a probe to quantify such instability-induced electron and ion losses occurring in less than 10 µs. The qualitative interpretation of the data is supported by the measurement of the energy spread of the extracted ion beams implying a transient plasma potential >1.5 kV during the instability. A parametric study of the electron losses combined with electron tracking simulations allows for estimating the fraction of electrons expelled in each instability event to be…
Ion source research and development at University of Jyväskylä: Studies of different plasma processes and towards the higher beam intensities
2015
MonPS16; International audience; The long-term operation of high charge state electron cyclotron resonance ion sources fed withhigh microwave power has caused damage to the plasma chamber wall in several laboratories.Porosity, or a small hole, can be progressively created in the wall on a year time scale, which cancause a water leak from the cooling system into the plasma chamber vacuum. A burnout of theVENUS chamber is investigated. Information on the hole formation and on the necessary localhot electron power density is presented. Next, the hot electron flux to the wall is studied bymeans of simulations. First, the results of a simple model assuming that electrons are fullymagnetized and …
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…
Ab initio multi-reference perturbation theory calculations of the ground and low-lying electronic states of the KRb molecule
2016
The potential energy curves of the low-lying electronic states correlating up to the limit K(4p) + Rb(5s) of KRb molecule have been calculated using the multi-reference perturbation theory method at the CASSCF/ XMCQDPT2 level of theory without and with spin–orbit coupling. The calculated parameters of the ground X 1 R + state are in the best agreement among all previously performed ab initio calculations for the KRb molecule. The calculated vibrational intervals of the ground electronic term of the 39 K 85 Rb molecule describe the experiment with the accuracy within ±1 cm ?1 . The calculated intensities of the 2 1 R + (v 0 = 3, J 0 = 26) ? X 1 R + (v 00 = 0...24, J 00 = 25, 27) transitions …
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…
Coupled-Cluster study of ‘no-pair’ bonding in the tetrahedral Cu4 cluster
2011
Abstract Ab initio Coupled-Cluster calculations with single and double excitations and perturbative correction to the triple, CCSD(T), have been carried out for the high-spin electronic state, ( 5 A 2 ) , of the copper cluster Cu 4 in its tetrahedral arrangement. Like alkali metals clusters, tetrahedral Cu 4 presents a bound quintet state, i.e., a situation where all the valence electrons are unpaired. This rather exotic wavefunction, also known as no-pair bonding state, is examined in detail. The influence of the basis set is also analyzed, as well as the importance of the core correlation and the effect of the basis-set superposition errors.
Towards highly accurate ab initio thermochemistry of larger systems: benzene.
2011
The high accuracy extrapolated ab initio thermochemistry (HEAT) protocol is applied to compute the total atomization energy (TAE) and the heat of formation of benzene. Large-scale coupled-cluster calculations with more than 1500 basis functions and 42 correlated electrons as well as zero-point energies based on full cubic and (semi)diagonal quartic force fields obtained with the coupled-cluster singles and doubles with perturbative treatment of the triples method and atomic natural orbital (ANO) triple- and quadruple-zeta basis sets are presented. The performance of modifications to the HEAT scheme and the scaling properties of its contributions with respect to the system size are investiga…
Theoretical investigation of the potential energy surface of the van der Waals complex CH4-N-2
2009
International audience; The interaction potential energy surface of the van der Waals CH4-N-2 complex has been calculated for a broad range of intermolecular separations and configurations in the approximation of rigid interacting molecules at the CCSD(T) and MP2 levels of theory using the correlation consistent aug-cc-pVTZ basis set. The BSSE correction was taken into account for all the calculations. The most stable configurations of the complex were found. Binding energies were calculated in the CBS limit with accounting for the molecular deformations. The harmonic and anharmonic fundamental vibrational frequencies and rotational constants for the ground and first excited vibrational sta…