Palms support the largest leaves in the world and have evolved on Earth for over 120 million years. They are often reported to be the only structure left standing post-hurricane. Cross-sectional shapes of cantilevered structures are important design factors affecting torsional and bending performance. Understanding the shape contribution of natural sections such as palm petioles (modified leaf stalks) is more difficult than those for simple 2D shapes because conventional methods of calculating section properties are not well suited to these irregular shapes. The role of internal structure, material properties and external shape of palm petioles in cantilever performance has been investigated and three main contributions to knowledge result from this research. Firstly, 3D mapping, i.e., the size, orientation and position, of vascular bundles in the Trachycarpus fortunei palm petiole reveals the distributions of stress and Young’s modulus values, providing a more detailed understanding of petioles than previous work. Secondly, bulk elastic material properties along the longitudinal axis of the same petiole are then input to a bi-layered model of the same petiole establishing the Young’s modulus of the two layers without mechanically testing them individually and for determining that the outer layer is not lignified. Thirdly, the largest contribution is the introduction of modified shape transformers employing the use of circular envelopes, eliminating error caused by approximating second moment of area with the torsional constant. This leads to a novel Shape Edge Mapping (SEM) technique which deconstructs petiole cross section shape elements and enables the structural contribution of these elements to be calculated, improving the understanding of the petiole section and how it relates to its mechanical function. This thesis makes a valuable addition to the knowledge of palm function and presents novel techniques for non-destructive extraction of natural shape data for abstraction and use in preliminary engineering design.

This thesis reports the discovery of a wide negative di↵erential resistance (NDR) region in a graphite-silicone composite that was utilized to create a strain-tuned flexible oscillator. Encoding the strain into frequency mimics the behavior of mechanoreceptor neurons in the skin and demonstrates a flexible and electronically active material suitable for state of the art bio-electronic applications. The NDR was investigated over a range of composite filling fractions and temperatures; alongside theoretical modelling to calculate the tunneling current through a graphite-silicone barrier. This led to the understanding that the NDR is the result of a semi-metal to insulator transition of embedded graphene bilayers within the graphite nanoparticles. The transition, brought about by a transverse bias across specifically orientated particles, opens a partial band-gap at the Fermi level of the bilayer. NDR in a flexible material has not been observed before and has potential for creating a flexible active device. The electromechanical properties of the composite were considered through a bend induced bilayer strain. The piezoresistance was found to be dominated by transient resistance spiking from the breaking of conduction lines, which then reform according to the viscoelasticity of the polymer matrix. The resistance spiking was embraced as a novel method for sensitive di↵erential pressure detection, used in the development of two applications. Firstly, it was employed for the detection of ultrasound waves and found to have an acoustic pressure detection threshold as low as 48 Pa. A commensurability was observed between the composite width and ultrasound wavelength which was shown to be consistent with the formation of standing waves, described by Bragg’s law. Secondly, a differential pressure array of 64 composite pixels was fabricated and demonstrated to image pressures under 3.8 kPa at a resolution of 10 dpi. The NDR active region was incorporated into an LC circuit where it was demonstrated to sustain oscillations of up to 12.5 kHz. The composite was then strained and an intrinsic frequency was observed which had a linear dependence on the strain with a frequency shift of 84 Hz / % strain. Lastly the composite was used in a strain-tuned amplifier circuit and shown to provide a gain of up to 4.5. This thesis provided the groundwork for a completely flexible electronically active device for futuristic bio-electronic skins with resolutions and sensitivities rivalling those of human tactile sensing.

Cells respond to their mechanical environment by changing shape and size, migrating, or even differentiating to a more specialized cell type. A better understanding of the response of cells to surrounding cues will allow for more targeted and effected designs for biomedical applications, such as disease treatment or cellular therapy. The spreading behavior of both human mesenchymal stem cells (hMSCs) and 3T3 fibroblasts is a function of substrate stiffness, and can be quantified to describe the most visible response to how a cell senses stiffness. The stiffness of the substrate material can be modulated by altering the substrate thickness, and this has been done with the commonly-used linearly elastic gel, polyacrylamide (PA). Though easy to produce and tune, PA gel does not exhibit strain-stiffening behavior, and thus is not as representative of biological tissue as fibrin or collagen gel. Fibroblasts on soft fibrin gel show spreading similar to much stiffer linear gels, indicating a difference in cell stiffness sensing on these two materials. We hypothesize cells can sense further into fibrin and collagen gels than linear materials due to the strain-stiffening material property. The goal of this work is to compare the material response of linear (PA) and strain-stiffening (fibrin, collagen gel) substrates through modulation of effective stiffness of the materials. The two-step approach is to first develop a finite element model to numerically simulate a cell contracting on substrates of different thicknesses, and then to validate the numerical model by quantifying fibroblast spreading on sloped fibrin and collagen gels. The finite element model shows that the effective stiffness of both linear and nonlinear materials sharply increases once the thickness is reduced below 10µm. Due to the strain-stiffening behavior, the nonlinear material experiences a more drastic increase in effective stiffness at these low thicknesses. Experimentally, the gradual response of cell area of HLF and 3T3 fibroblasts on fibrin and collagen gels is significantly different (p<0.05) from these cell types on PA gel. This gradual increase in area as substrate thickness decreases was not predicted by the finite element model. Therefore, cell spreading response to stiffness is not explained by just the nonlinearity of the material.

Protein-protein interactions (PPIs) are responsible for the regulation of a variety of important functions within living organisms. Compounds which can selectively modulate aberrant PPIs are novel therapeutic candidates for treating human diseases. Whilst PPIs have traditionally been considered as "undruggable", research in this area has led to the emergence of several effective methodologies for targeting PPIs. One such methodology is peptide stapling, which involves constraining a short peptide into its native alpha-helical form by forming a covalent link between two of its amino acid side-chains. The Sondheimer dialkyne reagent has previously been used in strain-promoted double-click cycloadditions with diazidopeptides to generate stapled peptides that are capable of inhibiting PPIs. However, the Sondheimer dialkyne suffers from poor water-solubility; it decomposes rapidly in aqueous solutions which limits its application in biological systems. This dissertation describes the design and synthesis of new substituted variants of the Sondheimer dialkyne with increased solubility and stability, that are suitable for application in strain promoted double click peptide stapling. In total, ten different derivatives were generated; of these, a meta-trimethylammonium substituted variant was found to have particularly high water-solubility and aqueous stability, as well as high azide reactivity. The substituted Sondheimer dialkynes were applied to the strain promoted double click stapling of p53-based diazido peptides in an effort to generate stapled peptide-based inhibitors of the oncogenic p53 MDM2 PPI, a validated target for anticancer therapeutics. Three stapled peptides were found to have inhibitory activity, thus demonstrating the utility of the novel dialkynes in the preparation of PPI inhibitors. The functionalised stapled peptide formed from a meta-fluoro substituted Sondheimer dialkyne was found to be the most potent inhibitor. All ortho-substituted Sondheimer dialkynes were found to be unreactive, whereas those with a meta-trimethylammonium substituent were highly reactive when compared to other meta-substituted dialkynes. These patterns in azide reactivity could be explained through X-ray crystallographic studies and density functional theory calculations.

Objetivo: investigar a associação entre estresse no trabalho e a autopercepção de saúde bucal. Método: Os dados analisados foram obtidos por meio de questionário de autopreenchimento de 3253 funcionários técnicos administrativos da Universidade Estadual do Rio de Janeiro um Estudo do Pró-Saúde. O estresse no trabalho foi medido através de um questionário elaborado por Karasek 1970 e reduzido por Theorell 1988. O instrumento é composto pelas seguintes dimensões: alta exigência no trabalho (alta demanda e baixo controle), baixa exigência (baixa demanda e alto controle), trabalho ativo (altos níveis de demanda e controle) e passivo (baixos níveis de demanda e controle). Autopercepção de saúde bucal foi obtida pela pergunta: “De um modo geral, como você considera o seu estado de saúde bucal (dentes e gengiva)?”, com opções de resposta variando entre, “muito bom” e “muito ruim”. Para a análise dos dados utilizou-se regressão logística ordinal, posteriormente ajustada para três blocos de variáveis: 1) saúde bucal (perda de dentes e dor de dentes nas duas últimas semanas) e uso e utilização serviço de saúde (frequência de visita ao dentista) 2) sociodemográficas (idade, sexo, escolaridade e renda) e 3) comportamentais em saúde (fumo e autopercepção de saúde geral). Resultados: Trabalhadores expostos à alta exigência e pouco controle no trabalho (OR=1,67; IC95%: 1,38-2,03) e ao trabalho passivo (OR=1,31; IC95%: 1,12-1,54), tiveram maiores chances de perceber pior saúde bucal, quando comparados àqueles expostos a baixa exigência no trabalho, não se observando associação com aqueles expostos ao trabalho ativo (OR=1,05; IC95%: 0,90-1,23). Entretanto, no modelo de regressão múltipla estas estimativas reduziram em magnitude e perderam significância estatística, a saber: alta exigência (OR=1,19; IC95%: 0,95-1,49), trabalho passivo (OR=1,09; IC95%: 0,91-1,31). Conclusão: Funcionários expostos a alta exigência no trabalho apresentaram pior saúde bucal autorreferida (modelo bruto e ajustado para os três blocos de variáveis) que parece ser parcialmente explicada pelas comportamentais em saúde, presença de problemas de saúde bucal (dor e perda dentária) e uso de serviços odontológicos com uma frequência maior do que uma vez ao ano. / Objective: To investigate the association between occupational stress and oral health self-perception. Method: Data obtained through a self-completion questionnaire with 3253 administrative technicians from a university in Rio de Janeiro, in the Pro-Health Study, were analyzed. Occupational stress was measured through a questionnaire prepared by Karasek, 1970, and reduced by Theorell, 1988. Oral health self-perception was obtained through the question: “In general, how do you consider your oral health state (teeth and gums)?”, with answer options ranging from “very good” to “very bad”. For data analysis, ordinal logistic regression was used, subsequently adjusted to three blocks of variables: 1) oral health (loss of teeth and toothache in the past two weeks) and use of the health service (frequency at which the dentist is attended); 2) socio-demographic (age, sex, schooling, and income); and 3) health-related behavior (smoking and general health self-perception). Results: Workers exposed to high strain and little control at work (OR=1.67; 95%CI: 1.38-2.03) and to passive work (OR=1.31; 95%CI: 1.12-1.54) had greater chances of perceiving worse oral health, when compared with those exposed to high-strain work, and no association was observed with those exposed to active work (OR=1.05; 95%CI: 0.90-1.23). However, in the multiple regression model, these estimates declined in magnitude and lost statistical significance, namely: high strain (OR=1.19; 95%CI: 0.95-1.49), passive work (OR=1.09; 95%CI: 0.91-1.31). Conclusion: Workers exposed to high-strain work presented worse self-reported oral health (raw model and adjusted to the three blocks of variables), which seems to be partially explained by health-related behavior, presence of oral health problems (toothache and dental loss), and use of dental services at greater frequency than once a year.

Tecnologias para o monitoramento de componentes estruturais, como strain gauges e fibra ótica, são comumente utilizadas quando deseja-se obter informações sobre o estado de deformação. Ambas as técnicas exigem cabeamento, produzindo diversas adversidades em suas aplicações. Assim, novas tecnologias sem fio vem ganhando espaço, buscando monitoramento remoto e versátil. Sensores sem fio, utilizando a tecnologia de identificação por radiofrequência (RFID), se mostram atrativos meios de contornar estas adversidades. Estes sensores são formados por uma antena e um componente integrado de identificação RFID. O conceito de funcionamento do sensor é que ao ser fixado no componente que deseja ser monitorado, irá sofrer esforços mecânicos semelhantes aos esforços sofridos pelo componente e irá se deformar. Esta deformação conduzirá a uma alteração sua frequência de ressonância. Dessa forma, dependendo do tipo de esforço uma resposta será obtida. Para construção do sensor foi utilizado o material NY9220 para o corpo de prova uma chapa de alumínio de 2 mm de espessura. Para validação do sensor, incialmente foi realizado um estudo numérico pelo método de elementos finitos. Posteriormente uma etapa experimental foi realizada onde o sensor foi fixado através de resina ao corpo de prova. À medida que deslocamentos eram aplicados os dados da frequência de ressonância e deformação são coletados e estes correlacionados. Uma correlação linear entre frequência de ressonância e deformação foi verificada no modelo numérico e na parte experimental. O sensor se mostrou capaz de detectar e monitorar deformações em estruturas metálicas. / Technologies for the monitoring of structural components, such as strain gauges and fiber optic, are commonly used when information on the state of deformation is desired. Both techniques require cabling, producing various adversities in their applications. Thus, new wireless technologies have been gaining space, seeking remote and versatile monitoring. Wireless sensors, using Radio Frequency Identification (RFID) technology, are attractive means of getting around these adversities. These sensors consist of an antenna and an integrated identification component RFID. The concept of operation of the sensor is that when attached to the component it wishes to be monitored, it will undergo similar stresses to the stresses suffered by the component and will deform. This strain will lead to a change in its resonant frequency. In this way, depending on the type of effort, a response will be obtained. For the construction of the sensor was used the material NY9220 for the specimen a sheet of aluminum of 2 mm of thickness. For the validation of the sensor, a numerical study was initially carried out by the finite element method. Subsequently an experimental stage was performed where the sensor was fixed through resin to the specimen. As displacements were applied, the resonance and strain frequency data were collected and correlated. A linear correlation between resonance frequency and strain was verified in the numerical model and in the experimental part. The sensor was able to detect and monitor deformations in metal structures.

La glace est un matériau de structure cristallographique hexagonale ayant une anisotropie plastique très importante. La déformation est principalement accommodée par le glissement des dislocations dans le plan basal. Cette forte anisotropie du monocristal de glace conduit lors de la déformation d’un polycristal, à de fortes hétérogénéités de déformation et de contrainte. Lors de la déformation à haute température, les mécanismes de recristallisation dynamique permettent, par le développement d’une nouvelle microstructure et d’une nouvelle texture, d’augmenter la ductilité du matériau. L’objet de cette étude est de mieux caractériser les mécanismes de recristallisation et leurs liens avec les hétérogénéités de déformation afin de mieux comprendre le développement des nouvelles microstrutures et textures ainsi que leurs impacts sur le comportement du matériaux.Ce travail est basé sur des essais de type fluage dans les conditions où la recristallisation dynamique est importante (T > 0.95T f et 0.5 < σ < 1 M P a). Deux types de polycristaux sont étudiés : la glace granulaire, considérée comme un volume élémentaire représentatif, qui permet d’appréhender d’un point de vue statistique l’impact de la recristallisation sur le développement des microstructures et des textures ; et la glace colonnaire, qui permet d’étudier les différents mécanismes de germination et leurs liens avec les hétérogénéités de déformation à l’échelle inter et intra-granulaire. Les outils de caractérisation utilisés sont la mesure in situ de l’évolution du champ de déformation par corrélation d’images numériques et la caractérisation des microstructures et des textures pré- et post- déformation par mesure optique et Electron BackScatter Diffraction (EBSD).Étant donné les fortes hétérogénéités de déformation, les mécanismes de recristallisation dynamique continue et discontinue sont actifs au cours de la déformation. La formation de sous-joints de grains, la germination par gonflement (bulging), où la migration de joints de grains ont été mises en évidence. Des germes fortement désorientés par rapport aux grains parents ont également été observés. Ces observations impliquent un mécanisme de germi- nation différent de ceux mentionnés ci-dessus. De plus, les dislocations géométriquement nécessaires composants les sous-joints de grains ont été caractérisées à l’aide du tenseur de Nye extrait des mesures EBSD. Cela a permis d’observer des sous-structures de dislocations composées de dislocations c. Ces dislocations c étaient jusqu’alors très rarement observées et seulement dans des conditions très spécifiques.Une forte corrélation entre les hétérogénéités de déformation et les mécanismes de recristallisation a été mise en évidence grâce aux mesures de champs de déformation. Les mécanismes de recristallisation se concentrent dans les zones où la déformation est importante et ont tendance à réduire les hétérogénéités de déformation. De plus, ces bandes de déformation, où la recristallisation est active, sont orientées à environ ±45° et ont une dimension supérieure à la taille moyenne des grains, ce qui montre une organisation des hétérogénéités de déformation et de contrainte à grande distance.Un modèle théorique pouvant contraindre l’orientation des germes crées par la germination spontanée est proposé. Ce modèle, basé sur la relaxation de l’énergie élastique, du fait de l’anisotropie élastique du mono-cristal de glace, permettrait de favoriser les cristaux dont l’axe c est aligné avec la direction de la contrainte principale locale. Cette étude a été complétée par des expériences numériques, basées sur un modèle à champ complet et une loi de plasticité cristalline élasto-viscoplastique qui permet de reproduire les hétérogénéités de déformation et de contrainte. Ces expériences numériques ont montré que ce mécanisme de germination orienté pourrait permettre d’expliquer le développement des textures de recristallisation. / Ice is an hexagonal material in which deformation mainly occurs by dislocation glide along the basal plane conferring a strong viscoplastic anisotropy to the single crystal. Hence, during polycrystalline ice deformation the incompatibility between grains lead to highly heterogeneous strain. During ice creep at high temperature, dynamic recrystallisation occurs, leading to the development of a new microstructure and strong recrystallisation textures.These new microstructure and texture increase the ductility of the material. The aims of this study is to investigate dynamic recrystallisation mechanisms and their links with strain heterogeneities to better understand the development of these microstructure and texture.Creep experiments are carried out in conditions where dynamic recrystallisation is important (T > 0.95T f and 0.5 < σ < 1 M P a). Two kinds of polycrystalline samples are used: granular ice, which can be considered as a representative elementary volume and enable to understand the global impact of dynamic recrystallisation mechanisms on texture and microstructure; and columnar ice which enable to better constrain the dynamic recrystallisation mechanism such as nucleation and their link with the strain heterogeneities down to the intra and inter-granular scales. Strain field evolution is measured in situ using digital images correlation and pre- and post- deformation microstructures and textures are measured using optical imaging and Electron BackScatter Diffraction (EBSD).Due to the strong strain heterogeneities, both continuous and discontinuous recrystallisation mechanisms occured. Sub-grain boundary formation, nucleation by bulging and grain boundary migration are mechanisms very active during dynamic recrystallisation in ice. On top of that, we also observed new grains with orientations highly disoriented compared to the neighbouring grains. This observation implies a nucleation mechanism different compare to the one mentioned above. Using Nye theory on EBSD measurements constrains the geometrically necessary dislocations of the sub-grain boundaries. Tilt sub-grain boundaries made of non-basal c dislocations have been observed. Only few observations of c dislocations existed so far, all of them made in very specific conditions.A strong correlation between recrystallisation mechanisms and strain field heterogeneities have been observed. Recrystallisation mechanisms lead to a decrease and spread of strain heterogeneities. The strain localise into bands of deformation oriented at around ±45° from the compression axis and with a typical length higher than the mean grain size. These bands of high deformation localise most of the dynamic recrystallisation mechanisms. This observation shows that the long range interaction of the strain and stress heterogeneities.We propose a new model which could be able to constrain the nucleus orientation for spontaneous nucleation. This model, based on the elastic energy relaxation during nucleation tanks to the elastic anisotropy of ice single crystal, should constrain the c axis to be aligned with the locale principal stress direction. To investigate the impact of such oriented nucleation mechanism on the texture development, a numerical experiment has been proposed using full field simulation with an elasto-viscoplastic law able to simulate the strain and stress fields heterogeneities. These numerical experiments show that the oriented nucleation mechanism might be able to explain the development of recrystallisation texture.

Thesis (B.S.)--Massachusetts Institute of Technology, Dept. of Mechanical Engineering, 1981. / MICROFICHE COPY AVAILABLE IN ARCHIVES AND ENGINEERING. / Bibliography: leaves 91-92. / by Robert Gregory Clarke. / B.S.

Propiciado pela construção de uma pista experimental inteiramente instrumentada com medidores de deformação e de temperatura na Cidade Universitária, este trabalho buscou o entendimento de inúmeros fatores intervenientes no desempenho do whitetopping ultradelgado, recente técnica de manutenção de pavimentos asfálticos com a utilização de delgadas placas de concreto, sob tráfego característico urbano, em condições tipicamente tropicais de uso, sobre uma pequena espessura de concreto asfáltico remanescente de fresagem. Com o intuito de nortear o problema em questão, além da revisão bibliográfica, foram realizados levantamentos periódicos das condições estruturais e funcionais deste pavimento; leituras contínuas de temperaturas e deformações obtidas por meio de um sistema automatizado de captação de dados junto aos instrumentos colocados no interior das placas; caracterização dos gradientes térmicos presentes nas placas durante as diferentes estações climáticas do ano. Foram realizadas provas de carga, estáticas e dinâmicas, com intuito de verificar os reais níveis de deformação aos quais as placas estariam sujeitas quando da interação com o tráfego; posteriormente, realizou-se modelagem numérica por meio de um programa de elementos finitos objetivando uma comparação com os dados obtidos nas provas de carga, analisando inclusive o posicionamento da linha neutra neste pavimento composto. Por fim, em uma sucinta abordagem sobre as deflexões antes e depois da execução do whitetopping ultradelgado, observou-se o tipo de comportamento estrutural do pavimento nas condições em que o experimento foi realizado. Ao término da pesquisa, inferiu-se que os gradientes térmicos dependem de vários fatores climáticos que não somente a temperatura ambiente, importando também a irradiação solar, o número de horas de sol, a velocidade de crescimento e decréscimo da temperatura ambiente; os gradientes térmicos encontrados não são importantes para o acréscimo nos níveis de tensões nas placas, não alterando assim a vida à fadiga do whitetopping ultradelgado, considerada a magnitude destes gradientes, as diminutas dimensões das placas e ainda a presença de aderência na interface concreto e concreto asfáltico. Em provas de carga, concluiu-se que os valores de tensões obtidos em campo mantêm grandezas semelhantes com os provenientes de modelos numéricos e ainda observou-se o vasto potencial de utilização das provas dinâmicas. Dado o excelente desempenho observado nas condições do experimento, mesmo com as placas aderidas a uma delgada camada asfáltica, fator que diferentemente do relatado no exterior não comprometeu o desempenho, não foi possível fazer uma avaliação em termos funcionais do desempenho deste tipo de pavimento. Verificou-se a significativa redução nas deflexões após a execução das placas, visualizando inclusive a transferência de cargas entre sucessivas placas, quando mantida a integridade estrutural das demais camadas do pavimento. / In this work, several factors affecting behavior and performance of ultra-thin whitetopping were evaluated taking advantage of a full scale experimental pavement, restored by applying such technique. Temperatures and thermal gradients in concrete thin slabs were evaluated by almost one year, comprising al the seasons. Load tests were carried out to allow strains measurements on concrete as well to define the deflection basins on whitetopped pavements. The experimental research has permitted to verify the dependence of thermal gradients on air temperature and solar radiation among other factors. It was observed that the thermal gradients practically do not affect behavior of the thin slabs. Stresses received from load tests compared to finite element generated stresses shown to maintain a good and closed relation. Due to good performance observed along the experiment it became not possible to establish patterns of functional performance. Expressive decrease of deflection level was observed over concrete overlays allowing to infer some load transfer on joints when the slabs are to be laid over non distressed old asphalt pavements.

Diversos estudos experimentais e teóricos têm sugerido que a formação de ligas de superfície ou a deposição de monocamadas de metal de transição (TM) tensionadas sobre suportes de TM pode ser considerada como uma via para a produção de novos catalisadores. Assim, um entendimento mais profundo das propriedades energéticas, geométricas e catalíticas dessas superfícies, bem como seus efeitos sobre as propriedades de adsorção de moléculas como água e etanol se tornam muito interessantes e importantes para futuras aplicações. Nesse trabalho relatamos uma extensa investigação de primeiros princípios baseada na teoria funcional da densidade desde os processos de adsorção de adátomos de TM (Rh, Pd, Ir, Pt) sobre as superfícies Cu(111) e Au(111) considerando recobrimentos que variam de 1/9, 2/9 até 1 monocamada (ML), até a adsorção de monômeros das moléculas de água e de etanol sobre diferentes ambientes proporcionados pelas diferentes superfícies estudadas, bem como uma análise das interações de van de Waals (vdW), de grande relevância na descrição desses sistemas. Estudamos aspectos de formação e estabilidade de diferentes superfícies com diferentes recobrimentos de adátomos. Em baixos recobrimentos, apesar dos diferentes raios atômicos dos ádatomos e átomos do substrato, sítios incorporados na camada mais externa do substrato são mais favoráveis energeticamente do que sítios sobre a superfície do mesmo. Nos sistemas TM/Au(111), essa tendência segue até o limite em que todos os átomos do substrato fiquem expostos à região de vácuo, com uma camada adjacente de adátomos; válido também para os sistemas Rh/Cu(111). A adsorção de Pd, Ir e Pt em Cu(111), segue a mesma tendência até recobrimentos de 4/9, 8/9, 6/9 ML, ficando os adátomos expostos à região de vácuo para maiores recobrimentos. Para sistemas TM/Au(111), temos uma deformação expansiva, devido à mistura de adátomos, com raios menores que o Au, na primeira camada do substrato, enquanto para sistemas TM/Cu(111) ela é compressiva, em particular para altos recobrimentos de Pd, Ir, Pt, favorecendo sua adsorção sobre a superfície do substrato. Essas alterações nas propriedades das superfícies deslocam o centro da banda dos estados d ocupados, possibilitando \"ajustá-las\" para determinados adsorbatos. Logo, utilizamos algumas dessas superfícies para avaliar quais os efeitos sobre as propriedades de adsorção das moléculas de água e de etanol. Em todos os sistemas, as moléculas adsorvem ligam através do átomo de oxigênio, O, sobre um sítio de coordenação 1 (on-top). Esse cenário se altera conforme induzimos deformações na superfície, pois a molécula se desloca lateralmente rumo a sítios de maior coordenação; ou adicionamos correções de vdW, aumentando a interação molécula-substrato, e podendo até mesmo rearranjar a molécula sobre a superfície. Para a molécula de água, efeitos geométricos são menos pronunciados, enquanto para o etanol podem alterar drasticamente a conformação da molécula e sua orientação em relação à superfície. Assim como as correções de vdW, as deformações induzidas também afetam energia de adsorção, pois alteram a estrutura eletrônica dos substratos, tal que observamos um aumento linear das energias de adsorção em função do centro da banda dos estados d ocupados dos substratos, ainda que se observem desvios. Finalmente, pudemos contribuir para um melhor entendimento das propriedades de superfícies de metais de transição sob efeitos de deformações expansiva e compressiva, demonstrando a possibilidade de alterar suas propriedades tanto pelos diferentes recobrimentos quanto pelo tipo de deformação induzida. Além disso, comprovamos os efeitos dessas alterações sobre as propriedades de adsorção de moléculas de água e de etanol, incluindo ainda uma análise do comportamento de algumas correções de van der Waals para esses sistemas. / Many experimental and theoretical studies have been suggesting that the superficial alloys formation or a deposition of transition metal (TM) monolayers under strain over transition metal supports (substrates) can be considered as a route to produce new catalysts. Thus, a deeper understading about geometric, energetic and electronic properties of these surfaces, as well as, their effects over the molecules adsorption becomes very important for future applications. We report an extensive first principles investigation based on density functional theory, covering subjects from TM (Rh, Pd, Ir, Pt) adsorption processes on Cu(111) and Au(111) surfaces to different TM coverages (1/9, 2/9 up to 1 monolayer (ML)), up to the adsorption of water and ethanol monomers on different surface environments. Additionally, we will use van derWaals corrections, which are important to the description of these systems. We have studied formation and stability features of different surfaces with different adatoms coverage. At low coverages, despite of different atomic radius of adatoms and host atoms, incorporated sites in the topmost substrate layer are more energetically favorable than sites on the surface (overlayer). For TM/Au(111) systems, this trend follows adatom by adatom up to the limit where every atom from the substrate get exposed to the vacuum region, and has an underlying layer comprised of adatoms; it holds also for Rh/Cu(111) systems. The adsorption of Pd, Ir and Pt on Cu(111) follows the same trend until 4/9, 8/9, 6/9 ML coverages, and the adatoms get exposed to the vacuum region for higher coverages. For TM/Au(111) systems, we have an expansive strain, because of the mixture of adatoms, whose atomic radii are smaller than Au, in the topmost substrate layer, while for TM/Cu(111) systems it is compressive, in particular, for higher Pd, Ir, Pt coverages, which favors their adsorption on the overlayer. Such changes in the surface properties shift the center of gravity of the occupied d-band states, which gives the possibility to tune them to specific adsorbates. Thus, we have employed some of those surfaces to evaluate what are the effects over the adsorption properties of water and ethanol molecules. For all systems, the molecules adsorb by the oxygen atom, O, on an one-fold site (on-top). This scenario changes as we induce deformations over the surface, because the molecule has a lateral shift towards to higher coordinated sites; or when we add vdW corrections, increasing the molecule-substrate interaction, it being possible even to rearrange the molecule on the surface. For water molecule, geometric effects are less pronounced, while for ethanol they can drastically change the molecule conformation and orientation in relation to the surface. As the vdW corrections, the induced strain can also affect the adsorption energy, since they change the substrate electronic structure, and we observed a linear adsorption energy increasing against the center of gravity of the occupied d-band states of substrates, even there are some deviations. Finally, we could contribute to a better understanding about the transition metal surfaces properties over expansive and compressive strain effects, showing the possibility to change their properties either by different adatoms coverage or by induced strain. Furthermore, we prove these effects over the properties of water and ethanol molecules adsorption, also including an analysis to the van der Waals behavior for these systems.