It is an aim of this work to provide insight into the energetic influence on the ordering of molecular thin films on crystalline substrates. Here, the term substrate either refers to inorganic crystal surfaces or highly ordered layers of another organic molecular species. In order to calculate the total interface potential of extended molecular domains, a new calculation technique (GRID technique) is developed in the first part of this work. Compared to the standard approach, this method accelerates the potential calculation drastically (times 10000). The other parts of the thesis are dedicated to the comparison of experimental results (obtained by scanning tunneling microscopy and electron diffraction) to the optimal layer structure as predicted by optimization calculations. Potential calculations which are performed for the system perylenetetracarboxylicdianhydride (PTCDA) on graphite demonstrate that point-on-line coincident structures correspond to energetically favorable alignments of the molecular lattice with respect to the substrate lattice. The capability of the GRID technique to predict the optimal layer structure is demonstrated for the system peri-hexabenzocoronene (HBC) on graphite. The organic-organic heteroepitaxy system PTCDA on HBC on graphite is investigated in order to clarify to which extent the ordering mechanism there differs from that of the organic-inorganic heteroepitaxy system PTCDA on graphite. As a result of this investigation, a new type of epitaxy, i.e., substrate induced ordering is found. This new epitaxy type is governed by the inner structure of the substrate lattice unit cell. Here, the substrate surface is a layer of organic molecules itself, hence the substrate surface unit cell does indeed exhibit a complex inner structure. A generalized classification scheme for epitaxial growth incorporating this new type of epitaxy is proposed. In the last chapter, the structure of the first layers of titanylphthalocyanine (TiOPc) on Au(111) is investigated and compared to potential optimization calculations. The correspondence of experimental and theoretical results provides evidence that the GRID technique can, in principle, also be applied to molecular layers on metal surfaces. / Das Ziel der vorliegenden Arbeit ist es, Einblicke in die energetischen Einflüsse, die zur Ausbildung der Schichtstruktur organischer Moleküle auf kristallinen Substraten führen, zu geben. Diese Substrate sind entweder Oberflächen anorganische Kristalle oder selbst hochgeordnete Molekülschichten. Um das totale Grenzflächenpotential ausgedehnter Moleküldomänen berechnen zu können, wird im ersten Teil der Arbeit eine neue Berechnungsmethode (GRID Technik) vorgestellt. Im Vergleich mit herkömmlichen Berechnungsmethoden auf der Basis molekülmechanischer Kraftfelder ist diese neue Methode daher um ein Vielfaches schneller (Faktor 100000). Die folgenden Teile der Arbeit sind dem Vergleich experimenteller Ergebnisse (Rastertunnelmikroskopie und Elektronenbeugung) mit, durch Potentialoptimierungsrechnungen als energetisch günstig vorhergesagten, Schichtstrukturen gewidmet. So kann für das System Perylentetracarbonsäuredianhydrid (PTCDA) auf Graphit mittels Potentialberechnungen nachgewiesen werden, daß die experimentell gefundenen ?Point-on-line koinzidenten? Strukturen energetisch günstige Anordnungen des Molekülgitters bezüglich des Substratgitters darstellen. Die Eignung der neuen Berechnungsmethode zur Vorhersage der günstigsten Adsorbatgitterstruktur für ein gegebenes System aus Molekül und Substrat, wird anhand des Systems peri-Hexabenzocoronen (HBC) auf Graphit demonstriert. Das organisch-organische Heteroepitaxiesystem PTCDA auf HBC auf Graphit wird untersucht, um zu klären, inwieweit sich die dafür gültigen Ordnungsmechanismen von denen unterscheiden, die für das Wachstum des organisch-anorganischen Heteroepitaxiesystems PTCDA auf Graphit verantwortlich sind. Dabei gelingt es, eine bisher nicht klassifizierte Art von Epitaxie, d.h. substratinduzierter Ordnung, nachzuweisen. Dieser neue Epitaxietyp ist bedingt durch die innere Struktur einer Substrateinheitszelle - das Substrat ist ja hier selbst eine Schicht geordneter Moleküle, die natürlich eine innere Struktur aufweisen. Im folgenden wird ein verallgemeinertes Klassifizierungssystem für Epitaxietypen abgeleitet, welches den neuen Epitaxietyp beinhaltet. Im letzten Kapitel wird die Struktur von der ersten Lagen von Titanylphthalocyanin (TiOPc) auf Au(111) experimentell untersucht und mit entsprechenden Potentialoptimierungsrechnungen verglichen. Die Übereinstimmung von experimentellen und theoretischen Ergebnissen zeigt, daß die GRID Technik, zumindest prinzipiell, auch für Molekülschichten auf Metallsubstraten anwendbar ist.

All new households were to be constructed with "near zero energy house standards" (NZE-house) by the year of 2020. The ambition to construct energy-efficient buildings had to increase rapidly in the spring of 2013.The purpose of this report was to increase the interest for building contractors to construct apartment buildings with passive house standards. By locating and evaluating experiences from an existing passive house a case study including interviews, field visits and document analysis was made. Research of literature regarding other passive houses in Sweden also helped to answer the following questions: - What positive and negative experiences have the study of the passive house meant to the involved stakeholders and residents? - What improvements can be made based on identified experiences? - How can an apartment building be designed as a passive house based on possible improvements? By collecting good and bad experiences, as well as improvements and potential design proposals, a diagram was created designed as a tool for developers when constructing apartment buildings with passive house standards. The diagram was organized in the categories; material, immaterial and image. Positive experiences from the case study were for instance that estimated time table, budget and planned energy level were achieved mainly due to a designed prefabricated sandwich element of concrete and the organizational form called partnering. Negative experiences were for example problems with high temperatures in staircase areas due to glassed facades and the lack of ventilation hatches, problems with condense and frost on windows, insufficient knowledge in using technical equipment and relatively high investment costs. Improvements and potential design proposals recommended by the authors were for example vertical lamellas for sunscreen and screening of the night sky, energy watchers in each apartment for higher energy awareness and a minor use of passive house independent qualities, in order to avoid the risk of building contractors not wanting to build passive houses due to high costs.   The experiences in the result diagram emphasized what building contractors should focus on in order to succeed with constructing apartment buildings, with similar requirements as the building in the case study, as a passive house. / Från år 2020 skulle alla nybyggda hus i Sverige vara av ”nära nollenergihus-standard” (NNE). Våren 2013 behövde därför ambitionsnivån att producera energisnåla nybyggnationer öka markant.   Syftet med rapporten var att öka attraktiviteten för byggherrar att konstruera flerbostadshus som passivhus. Genom att lokalisera och utvärdera erfarenheter från ett utfört passivhusprojekt i form av en fallstudie innefattande intervjuer, studiebesök och dokumentanalys, men även studerande av litteratur gällande andra genomförda projekt i Sverige, besvarades följande frågeställningar:   -        Vilka positiva och negativa erfarenheter har studerat passivhus medfört för inblandade aktörer och boende? -        Vilka förbättringsmöjligheter finns med utgångspunkt från identifierade erfarenheter? -        Hur kan ett flerbostadshus utformas som passivhus med hänsyn till eventuella förbättringsmöjligheter?   Genom att insamla positiva- och negativa erfarenheter, förbättringsmöjligheter samt potentiella utformningsförslag inom kategorierna materiella erfarenheter, immateriella erfarenheter samt image skapades förutsättningar för en sammanfattande resultattabell ämnad som ett verktyg för byggherrar vid framställande av flerbostadshus som passivhus.   Positiva erfarenheter från fallstudien var bland annat att uppsatt tidplan, budget och planerad energinivå levdes upp till, där ett framtaget prefabricerat sandwich-element i betong i kombination med organisationsformen partnering sågs som främsta anledningar till detta. Negativa erfarenheter var bland annat problem med övertemperaturer i trapphus på grund av stor andel glasad fasad i samband med avsaknaden av ventilationsluckor, utvändig kondens och frost på lägenhetsfönster, brister i teknikanvändandet samt en relativt hög investeringskostnad. Förbättringsmöjligheter och författarnas utformningsförslag bestod bland annat av inbyggda tvärställda lameller som sol- och natthimmelavskärmning, energibevakare i varje lägenhet för ökad energimedvetenhet samt en mindre omfattning av passivhusoberoende kvaliteter för att minska uppfattningen av passivhuskonceptet som kostnadsmässigt avskräckande.   Resultattabellen betonade vad en byggherre särskilt skulle tänka på för att lyckas med nybyggnation av flerbostadshus som passivhus vid likartade villkor som i fallstudien.

An overarching aim of this research was to investigate the comprehensive value of green residential buildings as seen from two perspectives: that of the developer and that of the occupant (the customer). The dissertation consists of studies presented in seven papers.  The studies conducted to investigate the developer’s perspective focused on construction cost and potential profit (papers I and VII). The customer’s perspective was examined with three approaches: the impact that energy and environment have on the decision to purchase (or rent) an apartment (paper V), willingness to pay for a green apartment (paper VI) and finally, the occupants’ satisfaction with the dwelling and indoor environment (papers II, III and IV).  The first paper examines whether increased investment costs are profitable, taking into account the reduction in operating costs. The investment viability is approached by comparing investment in conventional and green residential building, particularly passive houses, using real construction and post-occupancy conditions. The increased investment costs in energy-efficient building were also the focus of paper VII. In this paper, the aim was to study how technologies used in energy-efficient residential building construction affect the available saleable floor area and how this impacts on the profitability of the investment. Potential losses and gains of saleable floor area in energy-efficient buildings were assessed using a modelled building and analysed with the help of the average construction cost. Papers II and IV present results from a study of occupants’ satisfaction and indoor environmental qualities. Both papers aim at comparing and analysing responses from occupants living in green and conventional buildings. Paper III focuses on a similar subject, but investigates occupants’ satisfaction among all adults living in multi-family buildings in Sweden, providing a national context for the results presented in papers II and IV. The results indicate that occupants are generally satisfied with their dwellings, but indoor environment proved to have a statistically significant effect on overall satisfaction. The results in paper V indicate that energy and environmental factors have a minor impact on customers’ decision to purchase or rent an apartment. However, availability of information on building energy and environmental performance may have an effect on the likelihood of the buyers’ being interested in environmental qualities and consequently an impact on their decision. The study presented in paper VI shows that customer interest in energy and environmental factors has a significant impact on stated willingness to pay for green dwellings. The paper discusses the stated willingness to pay for low-energy buildings and buildings with an environmental certificate and attempts to assess the rationale of the stated willingness to pay for low-energy dwellings given potential energy savings. / Fokus i detta forskningsprojekt har legat på att undersöka värdet av gröna bostäder ur ett brett perspektiv, dvs både genom att studera byggherrens och de boendes (kundens) synpunkter. I avhandlingen ingår sju uppsatser. Undersökningen av byggherrens synpunkter fokuserades på kostnader och potentiella inkomster (uppsats I och VII). Kundernas åsikter undersöktes på tre olika sätt: vilken effekt energi och miljö faktorer hade på beslut att köpa eller hyra en lägenhet (uppsats V), betalningsvilja för gröna bostäder (uppsats VI) och slutligen de boendes trivsel samt nöjdhet med inomhusmiljön (uppsats II,III och IV). Den första uppsatsen syftar till att undersöka om ökningen av investeringskostnader vid byggande av gröna byggnader kan täckas av framtida energibesparingar och minskning av driftkostnad. Investeringens lönsamhet undersöktes genom att jämföra skillnader i byggkostnader mellan konventionella och gröna bostäder med skillnader i driftskostnader givet olika antaganden om energipriser och räntekrav. Huvudfokus i uppsats VII var också byggkostnader, men denna gång undersöktes hur nya tekniska lösningar påverkar boarea och lönsamhet av energieffektiva bostäder.  Genom att konstruera en modell av ett typhus analyserades potentiella ökningar i boarea med nya lösningar och hur detta påverkade lönsamheten i olika geografiska lägen (prisnivåer). Uppsatserna II och IV presenterar resultat från boendeundersökningar. Båda uppsatserna syftar till att undersöka boendes trivsel och nöjdhet med inomhusmiljö samt att testa skillnaden i svar från boende i gröna och konventionella bostäder.  Uppsats III fokuserar också på inomhusmiljön, men analysen gjordes på svaren som samlades in under Boverkets projekt BETSI och resultaten är därmed representativa för alla vuxna som bor i flerfamiljshus i Sverige. Uppsats III ger därmed en national kontext för uppsatserna II och IV. Resultaten visar att boende trivs i sina bostäder, men inomhusmiljön har en statistiks signifikanta effekt på allmän nöjdhet faktor.. Resultaten i uppsats V tyder på att energi- och miljöaspekter spelar mindre roll i beslutet att köpa eller hyra en lägenhet. Den synliga informationens tillgänglighet angående byggnadens energi- och miljöprestanda, påverkar kundens intresse för dessa faktorer och därmed indirekt hushållets beslut. Resultaten i uppsats VI pekar på att kunderna, som är intresserade av byggnaders energi och miljö prestanda, är villiga att betala mer för gröna bostäder. I uppsats 6 diskuteras betalningsvilja för låg-energi byggnader och för byggnader med miljöcertifikat samt utvärderas om den angivna betalningsviljan är rationell beslut när man tar hänsyn till nuvärdet av framtida energibesparingar. / <p>QC 20131014</p>

In this thesis we numerically compute the scattering lengths and bound states for sodium-rubidium collisions at low energy. This work was motivated by experiments which aim to produce Bose-Einstein condensates (BEC) mixtures of sodium-rubidium. Elastic collision properties are important for the rethermalization of the atoms during the evaporative cooling process. Inelastic processes, which we also discuss to some extent, cause trap losses in those experiments. In order to reach the required temperature and density the elastic collision rates should be sufficiently large compared to the inelastic rates. The scattering lengths, which completely specify the elastic collision parameters at low energy, determine the miscibility and phase diagram of the sodium-rubidium condensate mixture. We calculate the scattering lengths approximately and find agreement with previous calculations indicating that miscible phases of sodium and rubidium condensates do not appear to be feasible in the absence of external fields.

The subject of this thesis is high-precision mass-measurements performed with Penning trap mass spectrometers (PTMS). In particular it describes the SMILETRAP I PTMS and the final results obtained with it, the masses of 40Ca and that of the proton. The mass of 40Ca is an indispensible input in the evaluation of measurements of the bound electron g-factor, used to test quantum electrodynamical calculations in strong fields. The value obtained agrees with available literature values but has a ten times higher precision. The measurement of the proton mass, considered a fundamental physical constant, was performed with the aim of validating other Penning trap results and to test the limit of SMILETRAP I. It was also anticipated that a measurement at a relative precision close to 10-10 would give insight in how to treat certain systematic uncertainties. The result is a value of the proton mass in agreement with earlier measurements and with an unprecedented precision of 1.8×10-10. Vital for the achieved precision of the proton mass measurement was the use of the Ramsey excitation technique. This technique, how it was implemented at SMILETRAP I and the benefits from it is discussed in the thesis and in one of the included papers. The second part of the thesis describes the improved SMILETRAP II setup at the S-EBIT laboratory, AlbaNova. All major changes and upgrades compared to SMILETRAP I are discussed. This includes, apart from the Ramsey excitation technique, higher ionic charge states, improved temperature stabilization, longer run times, different reference ions, stronger and more stable magnetic field and a more efficient ion detection. Altogether these changes should reduce the uncertainty in future mass determinations by an order of magnitude, possibly down to 10-11. / At the time of the doctoral defense, the following paper was unpublished and had a status as follows: Paper 9: Accepted.

Title: Excitation of molecules by cold electrons Author: Miroslav Šulc Department / Institute: Institute of Theoretical Physics, Charles University in Prague Supervisor of the doctoral thesis: prof. RNDr. Jiří Horáček, DrSc., Institute of Theoretical Physics, Charles University Abstract: Several methods for low energy collisional processes are investigated. In the first part, attention is especially devoted to examination of applicability of the R-matrix method combined with the Schwinger-Lanczos (SL) variational principle for potential scattering with long-range forces. Next sections deal with the development of the interaction correlation-polarization (CP) potential in the framework of the Dis- crete Momentum Representation (DMR) method on the grounds of the Local Density Approximation in the Density Functional Theory (DFT) context. Obtained results are then utilized in body-frame (BF), static exchange + polarization (SEP), calcula- tions within an analysis of experimental data for e−-N2 scattering comprising a part of a larger project addressing theoretical examination of rotational excitations of small molecules in the gas phase induced by electron impact. For N2, a new phenomenon consisting in suppression of backward cross-section below 95 meV is observed and con- sequently attributed to...

För att uppnå Sveriges energimål har servicesektorn börjat bygga energieffektiva byggnader. I detta examensarbete har energiberäkningar med hjälp av VIP-Energy utförts för Elmeskolan som är byggd enligt passivhusteknik. Resultatet av energiberäkningen har jämförts med kraven enligt BBR 22 och 25 och passivhusstandarden. Det visade sig att kraven för BBR och passivhusstandarden uppfylldes. Även en beräkning av energiprestanda för BBR 22 och 25 med avseende på bergvärme och fjärrvärme har tagits fram med hjälp av definitioner enligt Boverkets byggregler. Energiprestandan för bergvärme visade sig vara lägre än för fjärrvärme. Tre LCC-kalkyler har utförts med hjälp av en Excel-mall. Den beräknade energiprestandan för Elmeskolan samt det maximala kravet för energiprestanda för passivhusstandarden och BBR 22 har legat till grund för kalkylen. Kalkylen resulterade i att Elmeskolans energikostnad var en fjärdedel i jämförelse med kravet för BBR 22. Syftet med denna studie är att resultatet ska påvisa fördelarna med att uppföra byggnader med passivhusteknik samt påvisa energieffektiviteten för ett passivhus. / In order to achieve Sweden's energy goals, the service sector needs to build energy-efficient buildings. Therefore, the national board of housing, building and planning proposed building regulations called BBR that consists of requirements and general recommendations for both new and existing building and contains multidimensional aspects including energy management in the building. Passive house building is also another promising solution to approach an energy efficient building. The main aim of this study is to assess the energy performance of a case study building according to the both BBR and passive house building criteria. Correspondingly, Elmeskolan, which has been built based on passive house standards, is chosen as the case study and a model is developed using a building energy-modelling program, VIP-Energy. The result of the energy calculation has been compared with the requirements of BBR 22 and 25 and the Passive House Standards. The study shows that the requirements for BBR and Passive House Standards were met for the case studied building. The primary energy demand of the heat supply system in the building is assessed by considering either geothermal or district heating system according to the Boverket’s energy management building regulations. It is concluded that the primary energy demand in case of using geothermal system is lower than district heating system to supply building heating demand. A simplified LCC analysis has been considered in this study due to the passive house standard and BBR 22 and 25 building regulations. The results show energy cost of the case studied building that is built based on passive house criteria is 25 % of total energy cost of similar building that built based on BBR 22 requirements. The results show the benefits of passive house requirements in comparison with BBR regulations for the case studied building in terms of thermo-economic objectives.

The work deals with the possibility of use the traditional knowledges and methods in construction with regards to today's lifestyle and technology, emphasizes the importance of the legacy, respect for countryside, individuality and surrounding environment. Above all I try to summarize the information about the current situation in architecture of family houses, which influence dominates in this area and which choices we have. I target especially the organic architecture mainly for wood constructions. At the beginning of the work I describe the issues of present architecture. I am dealing with the question if traditional and modern way of life must be in conflict, how we change our environment today and what could be the eventual effects for the future. The second part of the work is focused on the traditional vernacular architecture in South Bohemia, especially in the Bohemian Forest (Šumava) region, on types of construction, use and processing of materials and their integration into the countryside. The final part is applied to present ecology architecture. Firstly I summarize and identify the objects in general, subsequently I focus on the wood constructions, which correspond to traditional knowledge and experience in the manufacture and processing of wood.

This graduation thesis occupies by logistics utilization in the construction company Baracom Inc. It tries to describe the areas of the civil engineering which the logistics can be used in. The emphasis is placed on the supply network and on the whole project management from the beginning to the customer delivery. The concrete apartment blocks development is analysed from the building land purchase to the complete constructions. What is desribed here is e.g. the selection of the suppliers, the creation and the adherence to the schedules... The supplier evaluation in the company and the flow of material at the construction were also analysed out. The advantages of the wooden constructions were presented. The effort was to explain the low-energy constructions´ benefits and their potential in the future.

Ce travail présente la mesure des polarisabilités généralisées (GPs) électrique αE(Q2) et magnétique βM(Q2) du proton à Q2 =0.2 GeV 2. Les GPs sont définies dans le contexte de la diffusion Compton virtuelle (VCS), γ*p → γp, où Q2 est le quadri-moment de transfert du photon virtuel. Les GPs sont la généralisation des polarisabilités mesurées en diffusion Compton réel (RCS) en considérant leur dépendance en Q2. Ce sont des propriétés dynamiques du proton définissant sa déformation lorsqu'un champ électromagnétique lui est appliqué. αE(Q2) (ou βM(Q2)) donne accès à la densité de polarisation (magnétisation) locale du proton déformé. L'effet des GPs ne contribuant qu'à 1 – 15 % de la section efficace ep → epγ une mesure de haute précision est requise. Ce travail s'inscrit dans le cadre d'une expérience conduite par la collaboration A1 de MAMI à trois valeurs inédites de Q2 : 0.1,0.2 et 0.45 GeV 2. L'analyse de premier niveau comporte une calibration détaillée des données expérimentales et l'utilisation d'une simulation de l'expérience. L'extraction des GPs requiert la mesure et la renormalisation des sections efficaces ep → epγ et la correction des effets radiatifs. Les résultats obtenus par le fit « LEX » et « DR » sont en très bon accord. / This work presents the measurement of the generalized electric αE(Q2) and magnetic βM(Q2) polarisabilities (GPs) of the proton. The GPs are defined in the Virtual Compton Scattering (VCS) context, i.e. the reaction γ*p → γp where Q2 is the four-momentum transfer of the virtual photon. The GPs are a generalization of polarizabilities measured in real Compton scattering (RCS) by taking into account the Q2-dependency. They are dynamical properties of the proton when it is deformed by an applied electromagnetic fiels. αE(Q2) (or βM(Q2)) gives access to the local polarization (or magnetization) density of the deformed proton. The studied VCS process is accessible by the photon-electroproduction reaction (ep → epγ). The GP effect is a 1 – 15 % contribution to the ep → epγ cross section, requiring a high-precision mleasurement. The present work is a part of an experiment conducted by the A1 collaboration at MAMI at three new Q2 values : 0.1,0.2 and 0.45 GeV 2. This thesis details the extraction at 0.2 GeV 2. The experiment uses the 1 GeV electron beam, the 5 cm liquid hydrogen target and spectrometers A (B) to detect the final electron (proton). The first-level analysis includes a detailed calibration of experimental data, and the use of a simulation of the experiment. The measurement of the unpolarized ep → epγ cross section is described with two of its important features : the correction of the radiative effects and the renormalization. Two differents frameworks are used to extract the GPs : the Low Energy Theorem (LET) and the dispersion relation model (DR). The two extractions lead to results in good argument. The world data still raises question about the Q2-behavior of the Gps.