11 resultados para two-centre atomic orbital close coupling method
em Doria (National Library of Finland DSpace Services) - National Library of Finland, Finland
Resumo:
In this thesis the dynamics of cold gaseous atoms is studied. Two different atomic species and two different experimental techniques have been used. In the first part of the thesis experiments with Bose-Einstein condensates of Rb-87 are presented. In these experiments the methods of laser cooling and magnetic trapping of atoms were utilized. An atom chip was used as the experimental technique for implementation of magnetic trapping. The atom chip is a small integrated instrument allowing accurate and detailed manipulation of the atoms. The experiments with Rb-87 probed the behaviour of a falling beam of atoms outcoupled from the Bose-Einstein condensate by electromagnetic field induced spin flips. In the experiments a correspondence between the phases of the outcoupling radio frequency field and the falling beam of atoms was found. In the second part of the thesis experiments of spin dynamics in cold atomic hydrogen gas are discussed. The experiments with atomic hydrogen are conducted in a cryostat using a dilution refrigerator as the cooling method. These experiments concentrated on explaining and quantifying modulations in the electron spin resonance spectra of doubly polarized atomic hydrogen. The modifications to the previous experimental setup are described and the observation of electron spin waves is presented. The observed spin wave modes were caused by the identical spin rotation effect. These modes have a strong dependence on the spatial profile of the polarizing magnetic field. We also demonstrated confinement of these modes in regions of strong magnetic field and manipulated their spatial distribution by changing the position of the field maximum.
Resumo:
The thesis work models the squeezing of the tube and computes the fluid motion of a peristaltic pump. The simulations have been conducted by using COMSOL Multiphysics FSI module. The model is setup in axis symmetric with several simulation cases to have a clear understanding of the results. The model captures total displacement of the tube, velocity magnitude, and average pressure fluctuation of the fluid motion. A clear understanding and review of many mathematical and physical concepts are also discussed with their applications in real field. In order to solve the problems and work around the resource constraints, a thorough understanding of mass balance and momentum equations, finite element concepts, arbitrary Lagrangian-Eulerian method, one-way coupling method, two-way coupling method, and COMSOL Multiphysics simulation setup are understood and briefly narrated.
Resumo:
Tämän diplomityön tarkoituksena oli esittää menetelmä erääseen ohjelmistoon toteutettavista muutoksista aiheutuvien riskien hallintaan. Ohjelmistoa käyttää päivittäin useita satoja henkilöitä ja sen ongelmaton toiminta on ohjelmiston omistavalle asiakkaalle erittäin tärkeää. Ohjelmiston ja sen kehitystyön kannalta riski on asianomistajan tavoitteita uhkaava menetyksen mahdollisuus tai menetykseen liittyvä ominaisuus, tekijä tai toiminta. Tämän työn yhteydessä asianomistaja on yritys, joka on toteuttanut nykyisen ohjelmiston ja on vastuussa ohjelmiston jatkokehityksestä. Yrityksen riskienhallintatarpeita vastaava ratkaisu pyritään löytämään perehtymällä riskienhallinnan perusteisiin sekä kahteen erityisesti ohjelmistotuotantoon tarkoitettuun riskienhallintamenetelmään. Riskienhallinnan kehittämisen kannalta on tärkeää, että ohjelmistotuotannon tyypilliset virheet onnistutaan pääsääntöisesti välttämään. Riskienhallinnan yleisempien virheiden tiedostamisesta on suurta hyötyä omaa riskienhallintaa kehitettäessä. Ohjelmiston kehitysorganisaation systemaattinen tapa toteuttaa ohjelmistomuutoksia perustuu ohjelmistotuotantoon tarkoitetun tuotteenhallintaohjelman käyttöön. Tuotteenhallintaohjelmassa muutospyyntö on ohjelmiston kehitystyön perusyksikkö, johon riskienhallintatoimet on pyrittävä kohdistamaan. Yrityksen tarpeita vastaava riskienhallintamalli rakennetaan lisäämällä Riskit-menetelmän mukainen riskienhallintaprosessi osaksi muutospyynnön systemaattista käsittelyprosessia. Työn tuloksena aikaansaadun mallin mukaista riskienhallintaa voidaan käytännössä harjoittaa usealla eri tavalla. Arvioiden perusteella kaavionluonti- ja tekstinkäsittelyohjelma ovat riittävät työkalut riskienhallinnan käytännön toteutusta varten. Kokemukset uudesta riskienhallintamenetelmästä osoittivat sen käyttökelpoiseksi. Menetelmän käyttöönoton sujuvuuden varmistamiseksi, riskienhallintatoimet kannattaa kuitenkin aluksi kohdistaa yksittäistä muutospyyntöä suurempaan kokonaisuuteen.
Resumo:
The identifiability of the parameters of a heat exchanger model without phase change was studied in this Master’s thesis using synthetically made data. A fast, two-step Markov chain Monte Carlo method (MCMC) was tested with a couple of case studies and a heat exchanger model. The two-step MCMC-method worked well and decreased the computation time compared to the traditional MCMC-method. The effect of measurement accuracy of certain control variables to the identifiability of parameters was also studied. The accuracy used did not seem to have a remarkable effect to the identifiability of parameters. The use of the posterior distribution of parameters in different heat exchanger geometries was studied. It would be computationally most efficient to use the same posterior distribution among different geometries in the optimisation of heat exchanger networks. According to the results, this was possible in the case when the frontal surface areas were the same among different geometries. In the other cases the same posterior distribution can be used for optimisation too, but that will give a wider predictive distribution as a result. For condensing surface heat exchangers the numerical stability of the simulation model was studied. As a result, a stable algorithm was developed.
Resumo:
The purpose of this master’s thesis was to develop a method to be used in the selection of an optimal energy system for buildings and districts. The term optimal energy system was defined as the energy system which best fulfils the requirements of the stakeholder on whose preferences the energy systems are evaluated. The most influential stakeholder in the process of selecting an energy system was considered to be the district developer. The selection method consisted of several steps: Definition of the district, calculating the energy consumption of the district and buildings within the district, defining suitable energy system alternatives for the district, definition of the comparing criteria, calculating the parameters of the comparing criteria for each energy system alternative and finally using a multi-criteria decision method to rank the alternatives. For the purposes of the selection method, the factors affecting the energy consumption of buildings and districts and technologies enabling the use of renewable energy were reviewed. The key element of the selection method was a multi-criteria decision making method, PROMETHEE II. In order to compare the energy system alternatives with the developed method, the comparing criteria were defined in the study. The criteria included costs, environmental impacts and technological and technical characteristics of the energy systems. Each criterion was given an importance, based on a questionnaire which was sent for the steering groups of two district development projects. The selection method was applied in two case study analyses. The results indicate that the selection method provides a viable and easy way to provide the decision makers alternatives and recommendations regarding the selection of an energy system. Since the comparison is carried out by changing the alternatives into numeric form, the presented selection method was found to exclude any unjustified preferences over certain energy systems alternatives which would affect the selection.
Resumo:
In this thesis three experiments with atomic hydrogen (H) at low temperatures T<1 K are presented. Experiments were carried out with two- (2D) and three-dimensional (3D) H gas, and with H atoms trapped in solid H2 matrix. The main focus of this work is on interatomic interactions, which have certain specific features in these three systems considered. A common feature is the very high density of atomic hydrogen, the systems are close to quantum degeneracy. Short range interactions in collisions between atoms are important in gaseous H. The system of H in H2 differ dramatically because atoms remain fixed in the H2 lattice and properties are governed by long-range interactions with the solid matrix and with H atoms. The main tools in our studies were the methods of magnetic resonance, with electron spin resonance (ESR) at 128 GHz being used as the principal detection method. For the first time in experiments with H in high magnetic fields and at low temperatures we combined ESR and NMR to perform electron-nuclear double resonance (ENDOR) as well as coherent two-photon spectroscopy. This allowed to distinguish between different types of interactions in the magnetic resonance spectra. Experiments with 2D H gas utilized the thermal compression method in homogeneous magnetic field, developed in our laboratory. In this work methods were developed for direct studies of 3D H at high density, and for creating high density samples of H in H2. We measured magnetic resonance line shifts due to collisions in the 2D and 3D H gases. First we observed that the cold collision shift in 2D H gas composed of atoms in a single hyperfine state is much smaller than predicted by the mean-field theory. This motivated us to carry out similar experiments with 3D H. In 3D H the cold collision shift was found to be an order of magnitude smaller for atoms in a single hyperfine state than that for a mixture of atoms in two different hyperfine states. The collisional shifts were found to be in fair agreement with the theory, which takes into account symmetrization of the wave functions of the colliding atoms. The origin of the small shift in the 2D H composed of single hyperfine state atoms is not yet understood. The measurement of the shift in 3D H provides experimental determination for the difference of the scattering lengths of ground state atoms. The experiment with H atoms captured in H2 matrix at temperatures below 1 K originated from our work with H gas. We found out that samples of H in H2 were formed during recombination of gas phase H, enabling sample preparation at temperatures below 0.5 K. Alternatively, we created the samples by electron impact dissociation of H2 molecules in situ in the solid. By the latter method we reached highest densities of H atoms reported so far, 3.5(5)x1019 cm-3. The H atoms were found to be stable for weeks at temperatures below 0.5 K. The observation of dipolar interaction effects provides a verification for the density measurement. Our results point to two different sites for H atoms in H2 lattice. The steady-state nuclear polarizations of the atoms were found to be non-thermal. The possibility for further increase of the impurity H density is considered. At higher densities and lower temperatures it might be possible to observe phenomena related to quantum degeneracy in solid.
Resumo:
Aims:This study was carried out to evaluate the feasibility of two different methods to determine free flap perfusion in cancer patients undergoing major reconstructive surgery. The hypotheses was that low perfusion in the flap is associated with flap complications. Patients and methods: Between August 2002 and June 2008 at the Department of Otorhinolaryngology – Head and Neck Surgery, Department of Surgery, and at the PET Centre, Turku, 30 consecutive patients with 32 free flaps were included in this study. The perfusion of the free microvascular flaps was assessed with positron emission tomography (PET) and radioactive water ([15O] H2O) in 40 radiowater injections in 33 PET studies. Furthermore, 24 free flaps were monitored with a continuous tissue oxygen measurement using flexible polarographic catheters for an average of three postoperative days. Results: Of the 17 patients operated on for head and neck (HN) cancer and reconstructed with 18 free flaps, three re-operations were carried out due to poor tissue oxygenation as indicated by ptiO2 monitoring results and three other patients were reoperated on for postoperative hematomas in the operated area. Blood perfusion assessed with PET (BFPET) was above 2.0 mL / min / 100 g in all flaps and a low flap-to-muscle BFPET ratio appeared to correlate with poor survival of the flap. Survival in this group of HN cancer patients was 9.0 months (median, range 2.4-34.2) after a median follow-up of 11.9 months (range 1.0-61.0 months). Seven HN patients of this group are alive without any sign of recurrence and one patient has died of other causes. All of the 13 breast reconstruction patients included in the study are alive and free of disease at a median follow-up time of 27.4 months (range 13.9-35.7 months). Re-explorations were carried out in three patients due data provided by ptiO2 monitoring and one re-exploration was avoided on the basis of adequate blood perfusion assessed with PET. Two patients had donorsite morbidity and 3 patients had partial flap necrosis or fat necrosis. There were no total flap losses. Conclusions: PtiO2 monitoring is a feasible method of free flap monitoring when flap temperature is monitored and maintained close to the core temperature. When other monitoring methods give controversial results or are unavailable, [15O] H2O PET technique is feasible in the evaluation of the perfusion of the newly reconstructed free flaps.
Resumo:
Dental oxide ceramics have been inspired by their biocompability and mechanical properties which have made durable all-ceramic structures possible. Clinical longevity of the prosthetic structures is dependent on effective bonding with luting cements. As the initial shear bond strength values can be comparable with several materials and procedures, long-term durability is affected by ageing. Aims of the current study were: to measure the shear bond strength of resin composite-to-ceramics and to evaluate the longevity of the bond; to analyze factors affecting the bond, with special emphasis on: the form of silicatization of the ceramic surface; form of silanization; type of resin primer and the effect of the type of the resin composite luting cement; the effect of ageing in water was studied regarding its effect to the endurance of the bond. Ceramic substrates were alumina and yttrium stabilized zirconia. Ceramic conditioning methods included tribochemical silicatization and use of two silane couplings agents. A commercial silane primer was used as a control silane. Various combinations of conditioning methods, primers and resin cements were tested. Bond strengths were measured by shear bond strength method. The longevity of the bond was generally studied by thermocycling the materials in water. Additionally, in one of the studies thermal cycling was compared with long-term water storaging. Results were analysed statistically with ANOVA and Weibull analysis. Tribochemical treatment utilizing air pressure of 150 kPa resulted shear bond strengths of 11.2 MPa to 18.4 MPa and air pressure of 450 kPa 18.2 MPa to 30.5 MPa, respectively. Thermocycling of 8000 cycles or four years water storaging both decreased shear bond strength values to a range of 3.8 MPa to 7.2 MPa whereas initial situation varied from 16.8. Mpa to 23.0 MPa. The silane used in studies had no statistical significance. The use of primers without 10-MDP resulted spontaneous debonding during thermocycling or shear bond strengths below 5 MPa. As conclusion, the results showed superior long-term bonding with primers containing 10-MDP. Silicatization with silanizing showed improved initial shear bond strength values which considerably decreased with ageing in water. Thermal cycling and water storing for up to four years played the major role in reduction of bond strength, which could be due to thermal fatigue of the bonding interface and hydrolytic degradation of the silane coupled interface.
Resumo:
In this study we discuss the atomic level phenomena on transition metal surfaces. Transition metals are widely used as catalysts in industry. Therefore, reactions occuring on transition metal surfaces have large industrial intrest. This study addresses problems in very small size and time scales, which is an important part in the overall understanding of these phenomena. The publications of this study can be roughly divided into two categories: The adsorption of an O2 molecule to a surface, and surface structures of preadsorbed atoms. These two categories complement each other, because in the realistic case there are always some preadsorbed atoms at the catalytically active surfaces. However, all transition metals have an active d-band, and this study is also a study of the in uence of the active d-band on other atoms. At the rst part of this study we discuss the adsorption and dissociation of an O2 molecule on a clean stepped palladium surface and a smooth palladium surface precovered with sulphur and oxygen atoms. We show how the reactivity of the surface against the oxygen molecule varies due to the geometry of the surface and preadsorbed atoms. We also show how the molecular orbitals of the oxygen molecule evolve when it approaches the di erent sites on the surface. In the second part we discuss the surface structures of transition metal surfaces. We study the structures that are intresting on account of the Rashba e ect and charge density waves. We also study the adsorption of suphur on a gold surface, and surface structures of it. In this study we use ab-initio based density functional theory methods to simulate the results. We also compare the results of our methods to the results obtained with the Low-Energy-Electron-Difraction method.
Resumo:
Euroopan sähkömarkkinat ovat viime vuosikymmeninä olleet suurien muutoksien kohteena näiden yhtenäistämisprojektin seurauksena. Fortum, yksi Euroopan johtavista energia-alan yrityksistä valmistautuu tähän muutokseen toteuttamalla omia yrityksen sisäisiä muutoksia, tavoitteenaan yksinkertaistaa organisaatiorakennettaan ja parantaa tehokkuuttaan. Yksi suuri muutos tähän liittyen on vesivoimavalvomojen lokalisaatioprojekti. Vesivoimavalvomojen uudelleenlokalisaation ja vesivoiman käytönvalvojien ikääntymisen myötä nähtiin tarpeelliseksi tehdä tutkimus käytönvalvojien hiljaisesta tiedosta. Näin ollen, tässä diplomityössä perehdyttiin Fortumin vesivoiman käytönvalvojien kompetensseihin ja näiden hiljaiseen tietoon. Tutkimusaiheena oli selvittää minkälaista hiljaista tietoa käytönvalvojat omaavat, ja mikä osa tästä tiedosta muodostaa sen kriittisen osaamisen, jota halutaan säilyttää ja kehittää. Tutkimustyypiksi muodostui kvalitatiivinen, jonka päämetodi oli puoli-avoin haastattelu. Tutkimus koostui seuraavista vaiheista: tarkkailu, tekstianalyysi, haastattelu, transkriptio ja data analyysi. Haastatteluja tehtiin kahdeksan, joista kerääntyi yli 24 tuntia haastattelumateriaalia. Tästä materiaalista muodostettiin analyysien avulla taulukko, jonka avulla tunnistettiin ne osa-alueet, joihin käytönvalvojan tärkeimmät kompetenssit liittyvät. Tuloksilla saatiin myös kerättyä lista korjaus- ja kehityskohteista, sekä tarkemmat määritykset jatkotutkimukselle.
Resumo:
Numerical simulation of plasma sources is very important. Such models allows to vary different plasma parameters with high degree of accuracy. Moreover, they allow to conduct measurements not disturbing system balance.Recently, the scientific and practical interest increased in so-called two-chamber plasma sources. In one of them (small or discharge chamber) an external power source is embedded. In that chamber plasma forms. In another (large or diffusion chamber) plasma exists due to the transport of particles and energy through the boundary between chambers.In this particular work two-chamber plasma sources with argon and oxygen as active mediums were onstructed. This models give interesting results in electric field profiles and, as a consequence, in density profiles of charged particles.