Cette thèse s’inscrit dans le contexte du développement de Bâtiments Basse Consommation. La conception de telles constructions les rend sensibles aux sollicitations internes. Aussi, les outils de thermique du bâtiment existants ne sont pas adaptés pour simuler assez fidèlement ce type de bâtiments, si bien qu’un modèle tridimensionnel et dynamique a été développé ici. Celui-ci présente plusieurs particularités : il s’appuie sur une discrétisation spatiale optimisée des parois, la tache solaire y est localisée et l’intégration des dynamiques des conditions environnementales est assurée par un solveur numérique à pas de temps adaptatif et un seul nœud d’air est considéré. La validation du modèle s’est suivant une confrontation avec des mesures en conditions réelles réalisées dans une cellule de BESTlab d’EDF R&D. Un suivi visuel de la tache solaire a permis de confirmer sa bonne localisation par notre modèle. Des mesures de température en surface complétées par des cartographies thermographiques ont été comparées aux champs de températures simulés, montrant une bonne concordance. Les comparaisons de températures d’air mesurées et simulées ont montré des résidus ne dépassant pas 1,5 ˚C, pour des erreurs moyennes de 0,5 ˚C. La pertinence des deux principales innovations du modèle a été ensuite démontrée : l’utilisation d’entrées échantillonnées à la minute associées à un solveur à pas de temps adaptatif permet de minimiser les erreurs de simulation : en mi-saison, les résidus maximaux sont respectivement de 1 ˚C et 2 ˚C pour des entrées à la minute et à l’heure. En hiver, les températures d’air simulées tendent à plus osciller autour de la consigne quand le pas d’échantillonnage des entrées s’allonge. Deux modèles unidimensionnels, représentatifs de modèles courants, M1D,sol diluant le rayonnement solaire sur le sol seul et M1D,parois le distribuant de façon homogène sur les parois au prorata de la taille de la tache solaire censée les frappées, ne dégradent que légèrement la précision des calculs de température d’air. Cependant, ces modèles 1D ne permettent pas de calcul des champs de températures sur les parois si bien qu’ils présentent des erreurs locales dépassant 20 ˚C aux endroits touchés par la tache solaire. Enfin en hiver, le modèle 3D permet de prédire des consommations de chauffage surestimées de 6,5 % quand M 1D,parois les surestime de 11 % et M1D,sol de 22 %. Les améliorations apportées par notre modèle ont été confirmées pour d’autres types de cellules. D’ailleurs des écarts plus importants entre M1D,sol et le modèle 3D ont été observés pour une cellule dont parois et sol ont des compositions très différentes, alors que l’orientation a aussi un impact. Ce travail confirme la nécessité de représenter plus finement les phénomènes physiques pour des locaux fortement isolés. Des améliorations sont à intégrer, comme la description de l’anisothermie de l’air. / Low energy building constructions become sensitive to internal gains : any internal heating source has an impact on the envelope. Therefore, it is important to evaluate the performance of current transient thermal models when adapted to low energy buildings. This work describes a numerical model to simulate a single room, using a refined spatial three-dimensional description of heat conduction in the envelope but a single air node is considered. The model has been developed for environmental conditions that vary over short time-steps and has integrated the projection of solar radiation through a window onto interior walls : the sun patch. The validation of the model has been done through a detailed comparison between model and measurements. The in situ experiment has been carried out in one of the BESTlab cells (EDF R&D). The sun patch has been followed by a camera to validate its calculated position and surface. Temperature measurements by thermocouples and by thermal cameras have been compared to the models outputs. Differences between air and surface temperatures measured and simulated were never above 1.5 ˚C and mean errors reached 0.5 ˚C. The two innovations of the model have then be proven. Using minute wise weather data and inputs associated to an adaptative solver, enabled to pull down simulation errors : in May maximal differences rised from 1 ˚C to 2 ˚C for respectivelly one minute and hourly wise inputs. More important errors are seen in summer whereas in winter, air temperatures simulated tend to more fluctuate around the set up temperature when the sampling step gets longer. Two one dimensional models, close to traditional taken simulation tools, were used. Model M 1D,sol supposed the incoming radiation to reach only the floor. A 1D model with sun patch movement, called 1D,parois , was also used. These two models evaluated the air temperature with an acceptable error. However, their surface temperatures were still subject to important errors. Thus, for temperature surfaces evaluation, both 1D model presented differences up to 20 ˚C for surfaces touched by the sun patch. In winter, the 3D model can predict heating energy consumptions overestimated by 6.5 % when M 1D,parois overestimated them by 11 % and M1D,sol by 22 %. The improvements brought by our model have been proven also for other cells with different thermal masses. For these cells, differences between M1D,sol and the 3D model could reach 4.5 ˚C. Differences seemed to be more important for low thermal mass cells, and the orientation of the building had a strong impact. This work has confirmed the necessity of representing more accuratelly the descriptions of the enveloppe for strongly insulated rooms. To improve the model, the anisothermal hypotheses of the air should be considered.

In the first part, the diploma thesis addresses the issue of comparing individual HVAC systems for family houses. The second part is an experimental measurement of HVAC systems of a low-energy family house. The third part deals with the current state of heating and air conditioning of the family house, together with a certificate of energy performance of buildings. The diploma thesis is more focused on the experimental part.

The building in a question is a new build mixed-use building. It is situated in industrial area of Slavkov u Brna and is intended for employees of this area. In the underground floor is situated collective garage for 18 personal automobiles. First floor is designed for retail sale. Specifically general store, boutique and cafe. In the second and third floor are accommodation units for area employees. Specifically 12 accommodation units. Building has a flat roof with asphalt strip coating. The load-bearing system of the building is designed as a reinforced concrete skeleton, THERM-type bricks are used for the construction while thermal comfort is achieved by a certified external thermal insulation composite system (ETICS) featuring façade polystyrene. There is parking space area in front of the building.

These days create an enormous pressure on energy savings because of their high prices. For future it is obvious that their prices will grow. Not only the representatives of European Union realize this fact, but basicaly common people who run their houses and pay the bills. For this reason low - energy houses respectively passive houses are in the limelight. Reasons of economy should not be the only criterion of quality, but its integral part, one of several components. Energy efficient housing is a response in architecture and building to turbulent global warming. The aim of the work is try to specify how to conceive an efficient building with respect to its architectural quality in the contect of directions coming from European Union and which should be implemented soon in the Czech republic. Will zero house become driving force of architecture in Europe in 21st century? The result of the work will be useful in orientation how to conceive an efficient house with respect to its aesthetical quality.

The presented thesis deals with the utilization of TOF-LEIS analytical method in the area of nanostructure analysis. A new procedure for depth profiling of the elemental composition of the sample, based on the alternate measurement with the DSIMS method, was established. The TOF-LEIS method is able to detect the interface between the layers before its mixing by the ion beam of the DSIMS method. Furthermore, a procedure of TOF-LEIS spektra modification was established to obtain the actual concentration of elements in the sample by reduction of a multiple collision contribution. By comparison of TOF-LEIS spectra with the results received by the DSIMS method the ratio of molybdenum and silicon ion yields was obtained. In the next section advantages of the TOF-LEIS method in combination with XPS during analysis of thermal stability of gold nanoparticles are presented. The mutual complementarity of both methods is shown and final conclusions are supported by electron microscopy images. The final section deals with a newly assembled apparatus for the TOF-SARS analytical method and shows its possibilities regarding the detection of hydrogen on the graphene.

Dissertation deals with the technical parameters of natural thermal insulation. In addition, there is a global trend in the construction of reducing energy consumption for heating, air conditioning, or with operating facilities in buildings and the use of perspective and efficient building materials with a negligible negative impact on the environment. Therefore, the attention not only professionals are increasingly turning to alternative materials, such as natural insulation, the material can be drawn from local sources and whose production is energy-saving and leaving a small ecological footprint. As part of the doctoral thesis were tested short term water absorption, measurements were made of the thermal conductivity and its change after the test short term water absorption. Was determined dependence of thermal conductivity on humidity and heat resistance was determined. Moreover a natural insulation applications in building construction with a comparison of the various technical parameters and environmental footprint. At the conclusion was made by acoustic insulation in timber construction and price analysis.

Submitted diploma thesis prepares project documentation for the construction of a hotel building with a restaurant, which is located in the central built-up area of the town called Letovice situated in the South Moravian region. The solved building is partially basement with three above-ground floors covered by a flat vegetation roof. The hotel is designed with 23 accommodation units with a total capacity for 52 persons (including 4 persons with reduced mobility on the 2nd floor) and a restaurant for 98 guests, a bathroom and a kitchen. Guest rooms are located in the 2nd and 3rd floors. There are representative areas of the hotel in the form of an entrance hall with reception, areas for hotel management and a restaurant with a kitchen including social facilities for employees on the groud floor. There is a technical background of the building and maintance working room in the basement. The building comlies the requirement for low-energy standard buildings by combining a quality construction solution with thermal insulation of the building cover and other technological solitions. The overall character of the building is underlined by its architectural design in the form of partial greening of the facade. This solution is combined with large glazed areas giving a feeling of spaciousness and evocative cleanliness to the building.

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.

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Millimeterstora och svårupptäckta defekter kan uppstå internt i stora och komplexa gjutgods av Ti-6Al-4V, ibland går dessa oupptäckta tills detaljen genomgått mekanisk bearbetning och en stor kostnad redan har gått in i den. Dessa defekter och andra industriella olyckshändelser leder till ett behov av additiva reparationsmetoder där den för tillfället rådande metoden är TIG-svetsning. Denna metod reparerar defekterna men leder till oacceptabla restspänningar vilka kan åtgärdas med värmebehandling som i sin tur kan orsaka ytdefekten alpha case. Därav finns ett industriellt behov av reparationsmetoder som leder till mindre eller negligerbara restspänningsnivåer i reparerad detalj. Detta arbete utfört hos GKN Aerospace – Engine Products Sweden i Trollhättan analyserar eventuella förhållanden mellan parametrarna Effekt, Spot size, och Svetshastighet och de resulterande restspänningarna i ett lågparameterområde på materialet Ti-6Al-4V. En parameterrymd uppspänd av 17 parameteruppsättningar etablerades, svetsades och analyserades med mikrografi. Ur denna rymd simulerades de 8 yttre parametrarna med hjälpa av Finita Elementmetoden i svetssimuleringsmjukvaran MARC och ett förhållande mellan ingående parametrar och resulterande restspänningar undersöktes. En statistiskt säkerställd trend erhölls för att en minskad Svetshastighet leder till minskade tvärspänningar i mitten på en 20mm lång svetssträng. Detta är applicerbart för svetsar nyttjande start och stopplåtar. Det noterades även att en ökning i Effekt eller Spot size, eller en minskning utav svetshastigheten leder till att det av restspänningar utsatta området ökar i storlek. Detta är har implikationer för efterföljande värmebehandling i avgörandet av form och storlek på området som skall värmebehandlas. / Minute defects may occur in large complex Ti-6Al-4V castings, sometimes these are unnoticed until after machining and a high cost has been sunk into the part. These defect and other potential manufacturing mishaps render a need for additive repair methods. The state of the art method TIG welding can repair the parts but may leave unacceptable residual stresses, where the state of the art solution of Post Weld Heat Treatment might create a surface defect known as alpha case. Therefore there is a need for a repair weld method that results in lesser or negligible residual stresses. This thesis, carried out at GKN Aerospace – Engine Products Sweden, Trollhättan analyses the potential relationships between the laser welding parameters Power, Spot size, and Weld speed and the resulting residual stresses in a low energy parameter area on the material Ti-6Al-4V. A parameter box of 17 parameter sets was established, laid down and analyzed under micrograph, of this box the outer 8 parameter sets were simulated via the Finite Element Analysis welding simulation software MARC and a relationship between the input parameters and their resulting residual stresses was analyzed. A statistically significant trend was found supporting the claim that a decrease in transversal stresses in the center of a 20mm weld line is caused by an increase in Weld speed. This has implications for welds using run-on & run-of plates. It was also noted that an increase in Power or Spot size, or a decrease in Weld speed increases the area under residual stress; both as individual parameters and in synergy. This has implications for Post Weld Heat Treatment in determining the size and shape of the area in need of treatment.