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- Aidas, Kestutis, et al.
(författare)
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The Dalton quantum chemistry program system
- 2014
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Ingår i: WIREs Computational Molecular Science. - : Wiley. - 1759-0876 .- 1759-0884. ; 4:3, s. 269-284
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Tidskriftsartikel (refereegranskat)abstract
- Dalton is a powerful general-purpose program system for the study of molecular electronic structure at the Hartree-Fock, Kohn-Sham, multiconfigurational self-consistent-field, MOller-Plesset, configuration-interaction, and coupled-cluster levels of theory. Apart from the total energy, a wide variety of molecular properties may be calculated using these electronic-structure models. Molecular gradients and Hessians are available for geometry optimizations, molecular dynamics, and vibrational studies, whereas magnetic resonance and optical activity can be studied in a gauge-origin-invariant manner. Frequency-dependent molecular properties can be calculated using linear, quadratic, and cubic response theory. A large number of singlet and triplet perturbation operators are available for the study of one-, two-, and three-photon processes. Environmental effects may be included using various dielectric-medium and quantum-mechanics/molecular-mechanics models. Large molecules may be studied using linear-scaling and massively parallel algorithms. Dalton is distributed at no cost from for a number of UNIX platforms.
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- Castaldo, C., et al.
(författare)
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On the feasibility of electro-optical detection of dust-impact ionization in tokamaks
- 2010
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Ingår i: Plasma Physics and Controlled Fusion. - : IOP Publishing. - 0741-3335 .- 1361-6587. ; 52:10, s. 105003-
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Tidskriftsartikel (refereegranskat)abstract
- The feasibility of the optical and electrical detection of dust-impact ionization events in the scrape-off layers of tokamak plasmas is evaluated. It is shown that the expected light emission and the charge released during a dust impact on a biased target can be measured above the light emission and the charge collected due to the background plasma. A scheme of an electro-optical probe for diagnostics of fast dust particles is proposed.
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- Laguardia, L., et al.
(författare)
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Formation of dust in low-pressure magnetized hydrocarbon plasmas
- 2011
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Ingår i: New Journal of Physics. - : IOP Publishing. - 1367-2630. ; 13, s. 063006-
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Tidskriftsartikel (refereegranskat)abstract
- The rapid formation of large molecules and the subsequent production of solid-state dust particles in a low-pressure discharge is unlikely, because of the low rates of the polymerization reactions and short lifetimes of the species. Here, we suggest that C dust particles can form in atypically low (10(-3) mbar)-pressure hydrocarbon plasmas if the dust charging time is much shorter than the gas residence time in the device; we present supporting experimental evidence for this. Such a condition can be obtained by the production of high-density plasmas. The results show that dust formation from the gaseous phase can occur in a much wider parameter range than is commonly assumed.
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- Proverbio, I., et al.
(författare)
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The dynamics of ferromagnetic dust particles in the FTU tokamak
- 2011
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Ingår i: Plasma Physics and Controlled Fusion. - : IOP Publishing. - 0741-3335 .- 1361-6587. ; 53:11
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Tidskriftsartikel (refereegranskat)abstract
- The mobilization and acceleration of metallic dust in the gap region between the last closed confinement surface and the vessel wall of the Frascati Tokamak Upgrade (FTU) is studied numerically for the definition of the appropriate location of diagnostics devoted to dust dynamics.
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7. |
- Ratynskaiy, Svetlana, et al.
(författare)
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Plasma fluctuation spectra as a diagnostic tool for submicron dust
- 2010
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Ingår i: Physics of Plasmas. - : AIP Publishing. - 1070-664X .- 1089-7674. ; 17:4, s. 043703-
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Tidskriftsartikel (refereegranskat)abstract
- It is shown that the measurements of density fluctuation spectra in dusty plasmas can constitute a basis for in situ diagnostic of invisible submicron dust. The self-consistent kinetic theory that includes the charging processes and the natural density fluctuations of the dust particles predicts modifications of the spectra due to the presence of dust. A laboratory experiment was carried out where submicron dust was produced in a gas phase and diagnosed by surface analysis of samples and by measurements of its influence on the plasma density fluctuation spectra. Quantitative comparison of the latter with the theory yields information on dust density, size, and distribution in agreement with the results of the surface analysis. The method can be applied to various plasma environments in laboratory and space.
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- De Angeli, M., et al.
(författare)
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Note : Simultaneous electrical and optical detection of expanding dense partially ionized vapour clouds
- 2011
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Ingår i: Review of Scientific Instruments. - : AIP Publishing. - 0034-6748 .- 1089-7623. ; 82:10, s. 106101-
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Tidskriftsartikel (refereegranskat)abstract
- The scheme and construction of an electro-optical probe able to collect charge and detect optical emission from expanding dense partially ionized vapour clouds are reported. The instrument can be applied to phenomena such as dust impact ionization and solid target laser ablation. First, results of measurements of expanding plasma cloud formed upon ablating W target are presented. Use of the instrument in different experimental facilities, including tokamak, is discussed.
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9. |
- Ratynskaya, Svetlana, et al.
(författare)
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Dust-surface collisions in adhesion regime for tokamak relevant materials
- 2013
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Ingår i: Journal of Nuclear Materials. - : Elsevier BV. - 0022-3115 .- 1873-4820. ; 438:Suppl., s. S796-S799
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Tidskriftsartikel (refereegranskat)abstract
- Empirical studies of dust-surface collisions for metal and carbon projectiles impacting on metal targets in the velocity range from a few m/s to those in excess of 1 km/s have been carried out with the use of a modified pellet injection system. The selected projectile/target shapes, sizes and materials are mimicking the scenario of dust colliding with plasma facing components (PFCs) of a metal machine. The low velocities (10's m/s) reported here, characteristic for dust motion in tokamak scrape-off layer plasmas, are in the range of sticking phenomenon; the critical velocity and size for bouncing off are essential and timely inputs for the dust dynamics codes and statistical models aiming to predict dust transport and redepo-sition on PFCs.
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