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We study the spectral properties of two kinds of derivatives of the carbon fullerene C(60), small fullerenes and Si-heterofullerenes, by ab initio calculations. The principal method of study is the time-dependent density-functional theory in its full time-propagation form. C(20), C(28), C(32), C(36), and C(50), the most stable small fullerenes in the range of C(20)-C(50), are found to have characteristic features in their optical absorption spectra, originating from the geometry of the molecules in question. The comparison of measured and calculated absorption spectra is found to be a useful tool in differentiating between different, almost isoenergetic ground state structure candidates of small fullerenes. Substitutionally doped fullerenes are of interest due to their enhanced chemical reactivity. It is suggested that the doping degree can be obtained by studying the absorption spectra. For example, it is observed that the spectra gradually change when doping C(60) up to C(48)Si(12) so that absorption in the visible and near infrared regions increases. 相似文献
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K. Južnič M. H. Koponen A. Južnič 《Journal of Radioanalytical and Nuclear Chemistry》1989,135(4):293-298
Transfer of210Pb and210Po from an uranium mine and mill to the environment was studied by measuring their concentrations in different stages of uranium extraction technology, in waste products from the mill and in environmental waters. A slightly modified radiochemical method was used for210Po and210Pb determination. 相似文献
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H.Koivisto P.Frondelius T.Koponen P.Lappalainen T.Ropponen M.Savonen P.Suominen O.Tarvainen K.Tinschert G.Ciavola 《中国物理 C》2007,31(Z1):41-45
Extensive plasma potential measurements have been carried out using a device developed at JYFL. In this article the main results of the measurements will be summarized.A new simulation code to study the electron heating is being developed.One objective of the code is to determine the change of the electron loss cone when the magnetic field component of the electromagnetic wave is taken into account along with the permittivity of the plasma.As a part of the work,accurate X-ray measurements have been initiated. A new plasma chamber based on the MMPS-concept(Modified MultiPole Structure)has successfully been constructed and tested with the JYFL 6.4GHz ECRIS.The results and conclusions will be presented elsewhere in these proceedings.In the same article,a new concept of ECRIS and first results will be presented.The active development work of evaporation ovens has been carried out in a joint European collaboration(ISIBHI). The objective of the task is to make the operation of the oven reliable at 2000℃for several days.Both resistively and inductively heated ovens have been studied and further developed.The status of this work will be presented. 相似文献
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We present a rate equation model for submonolayer island growth under conditions where hyperthermal deposition techniques such as low-energy ion deposition are employed to achieve smooth layer-by-layer growth. By asymptotic analysis, we demonstrate that the model exhibits stationary behavior with well-defined dynamic and growth exponents beta and chi, respectively, in the limit of small and high detachment rates. We verify these predictions by using the particle coalescence simulation method. The simulations reveal the existence of a relatively sharp transition regime with an increasing detachment rate of adatoms from high values of the growth exponent beta approximately 1 to much smaller values of beta determined by detachment and island diffusion processes. Our numerical results for the island size distribution indicate an anomalously high number of small islands, in agreement with available experimental data. 相似文献
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M.?RusanenEmail author I.?T.?Koponen J.?Asikainen 《The European Physical Journal B - Condensed Matter and Complex Systems》2003,36(4):567-572
Island growth is studied in the case of island aggregation and break-up during submonolayer deposition. It is demonstrated that the island size distributions are of the scaling form and the mean island size has a power-law behaviour corresponding to hyperthermal deposition conditions. The corresponding scaling exponents are analytically derived and compared with the simulations by the revised particle coalescence method developed here. The scaling exponents are found to depend only on the homogeneity exponents of aggregation and fragmentation kernels.Received: 4 September 2003, Published online: 30 January 2004PACS:
68.55.-a Thin film structure and morphology - 68.35.Fx Diffusion; interface formation - 36.40.Sx Diffusion and dynamics of clustersPresent addressM. Rusanen: Institut Français du Pétrole, Groupe de Modélisation Moléculaire, BP 311, 92852 Rueil-Malmaison, France;Present address J. Asikainen: HRS F27, ETH Zentrum, 8092 Zürich, Switzerland 相似文献
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Shakib-Manesh A Aström JA Koponen A Raiskinmäki P Timonen J 《The European physical journal. E, Soft matter》2002,9(1):97-102
A particle suspension flowing in a channel in which fouling layers are allowed to form on the channel walls is investigated by numerical simulation. A two-dimensional phase diagram with at least four different behaviors is constructed. The fouling is modeled by attachment during collision with the deposits and by detachment caused by large enough hydrodynamic drag. For fixed total number of particles and small Reynolds numbers, the relevant parameters governing the fouling dynamics are the solid volume fraction of the suspension and the detachment drag force threshold. Below a critical curve in this 2D phase space only transient fouling takes place when the suspension is accelerated from rest by a pressure gradient. Above the fouling transition line, persistent fouling layers are formed via ballistic deposition for low and via homogeneous deposition for large solid volume fractions. Close to the fouling transition line, the flow path between the deposited layers meanders, while necking appears for increasing distance from the transition. Finally, another transition to a fully blocked flow path takes place. As determined by the estimated amount of deposited particles at saturation, both transitions seem to be discontinuous. Large fluctuations and long saturation times are typical of the dynamics of the system. 相似文献