Colloidal interactions in two-dimensional nematics

The interaction between two disks immersed in a 2D nernatic is investigated i) analytically using the tenser order parameter formalism for the nematic configuration around isolated disks and ii) numerically using finite-element methods with adaptive meshing to minimize the corresponding Landau-de Gennes free energy. For strong homeotropic anchoring, each disk generates a pair of defects with one-half topological charge responsible for the 2D quadrupolar interaction between the disks at large distances. At short distance, the position of the defects may change, leading to unexpected complex interactions with the quadrupolar repulsive interactions becoming attractive. This short-range attraction in all directions is still anisotropic. As the distance between the disks decreases, their preferred relative orientation with respect to the far-field nernatic director changes from oblique to perpendicular.

Visible range plasmonic effect produced by aluminium nanoparticles embedded in amorphous silicon

We present results, obtained by means of an analytic study and a numerical simulation, about the resonant condition necessary to produce a Localized Surface Plasmonic Resonance (LSPR) effect at the surface of metal nanospheres embedded in an amorphous silicon matrix. The study is based on a Lorentz dispersive model for a-Si:H permittivity and a Drude model for the metals. Considering the absorption spectra of a-Si:H, the best choice for the metal nanoparticles appears to be aluminium, indium or magnesium. No difference has been observed when considering a-SiC:H. Finite-difference time-domain (FDTD) simulation of an Al nanosphere embedded into an amorphous silicon matrix shows an increased scattering radius and the presence of LSPR induced by the metal/semiconductor interaction under green light (560 nm) illumination. Further results include the effect of the nanoparticles shape (nano-ellipsoids) in controlling the wavelength suitable to produce LSPR. It has been shown that is possible to produce LSPR in the red part of the visible spectrum (the most critical for a-Si:H solar cells applications in terms of light absorption enhancement) with aluminium nano-ellipsoids. As an additional results we may conclude that the double Lorentz-Lorenz model for the optical functions of a-Si:H is numerically stable in 3D simulations and can be used safely in the FDTD algorithm. A further simulation study is directed to determine an optimal spatial distribution of Al nanoparticles, with variable shapes, capable to enhance light absorption in the red part of the visible spectrum, exploiting light trapping and plasmonic effects. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Determinação da tenacidade à fratura em corte (GIIc) de adesivos estruturais pelo ensaio End-Notched Flexure (ENF)

Os adesivos têm sido alvo de estudo ao longo dos últimos anos para ligação de componentes a nível industrial. Devido à crescente utilização das juntas adesivas, torna-se necessária a existência de modelos de previsão de resistência que sejam fiáveis e robustos. Neste âmbito, a determinação das propriedades dos adesivos é fundamental para o projeto de ligações coladas. Uma abordagem recente consiste no uso de modelos de dano coesivo (MDC), que permitem simular o comportamento à fratura das juntas de forma bastante fiável. Esta técnica requer a definição das leis coesivas em tração e corte. Estas leis coesivas dependem essencialmente de 2 parâmetros: a tensão limite e a tenacidade no modo de solicitação respetivo. O ensaio End-Notched Flexure (ENF) é o mais utilizado para determinar a tenacidade em corte, porque é conhecido por ser o mais expedito e fiável para caraterizar este parâmetro. Neste ensaio, os provetes são sujeitos a flexão em 3 pontos, sendo apoiados nas extremidades e solicitados no ponto médio para promover a flexão entre substratos, o que se reflete numa solicitação de corte no adesivo. A partir deste ensaio, e após de definida a tenacidade em corte (GIIc), existem alguns métodos para estimativa da lei coesiva respetiva. Nesta dissertação são definidas as leis coesivas em corte de três adesivos estruturais através do ensaio ENF e um método inverso de ajuste dos dados experimentais. Para o efeito, foram realizados ensaios experimentais considerado um adesivo frágil, o Araldite® AV138, um adesivo moderadamente dúctil, o Araldite® 2015 e outro dúctil, o SikaForce® 7752. O trabalho experimental consistiu na realização dos ensaios ENF e respetivo tratamento dos dados para obtenção das curvas de resistência (curvas-R) através dos seguintes métodos: Compliance Calibration Method (CCM), Direct Beam Theory (DBT), Corrected Beam Theory (CBT) e Compliance-Based Beam Method (CBBM). Os ensaios foram simulados numericamente pelo código comercial ABAQUS®, recorrendo ao Métodos de Elementos Finitos (MEF) e um MDC triangular, com o intuito de estimar a lei coesiva de cada um dos adesivos em solicitação de corte. Após este estudo, foi feita uma análise de sensibilidade ao valor de GIIc e resistência coesiva ao corte (tS 0), para uma melhor compreensão do efeito destes parâmetros na curva P- do ensaio ENF. Com o objetivo de testar adequação dos 4 métodos de obtenção de GIIc usados neste trabalho, estes foram aplicados a curvas P- numéricas de cada um dos 3 adesivos, e os valores de GIIc previstos por estes métodos comparados com os respetivos valores introduzidos nos modelos numéricos. Como resultado do trabalho realizado, conseguiu-se obter uma lei coesiva única em corte para cada um dos 3 adesivos testados, que é capaz de reproduzir com precisão os resultados experimentais.

Simulation of humidity fields in concrete: experimental validation and parameter estimation

The moisture content in concrete structures has an important influence in their behavior and performance. Several vali-dated numerical approaches adopt the governing equation for relative humidity fields proposed in Model Code 1990/2010. Nevertheless there is no integrative study which addresses the choice of parameters for the simulation of the humidity diffusion phenomenon, particularly in concern to the range of parameters forwarded by Model Code 1990/2010. A software based on a Finite Difference Method Algorithm (1D and axisymmetric cases) is used to perform sensitivity analyses on the main parameters in a normal strength concrete. Then, based on the conclusions of the sensi-tivity analyses, experimental results from nine different concrete compositions are analyzed. The software is used to identify the main material parameters that better fit the experimental data. In general, the model was able to satisfactory fit the experimental results and new correlations were proposed, particularly focusing on the boundary transfer coeffi-cient.

Modelação numérica de túneis com consideração explícita das heterogeneidades do maciço

Dissertação de mestrado integrado em Engenharia Civil

An integrated model for simulation of construction phasing of arch concrete dams

Dissertação de mestrado integrado em Civil Engineering

A multi–physics approach applied to masonry structures with non–hydraulic lime mortars

Tese de Doutoramento em Engenharia Civil (área de especialização em Engenharia de Estruturas).

Adaptive numerical simulation of reaction - diffusion systems

Fluidized beds, granulation, heat and mass transfer, calcium dynamics, stochastic process, finite element methods, Rosenbrock methods, multigrid methods, parallelization

Dispositius nanoelectrònics a freqüències de THz : estudi de la propagació electromagnètica en les connexions

Per a altes freqüències, les connexions poden tenir un paper rellevant. Atès que la velocitat de propagació dels senyals electromagnètics, c, en el cable no és infinita, el voltatge i el corrent al llarg del cable varien amb el temps. Per tant, amb l’objectiu de reproduir el comportament elèctric de dispositius nanoelectrònics a freqüències de THz, en aquest treball hem estudiat la regió activa del dispositiu nanoelectrònic i les seves connexions, en un sistema global complex. Per a aquest estudi hem utilitzat un nou concepte de dispositiu anomenat Driven Tunneling Device (DTD). Per a les connexions, hem plantejat el problema a partir de tot el conjunt de les equacions de Maxwell, ja que per a les freqüències i longituds de cable considerats, la contribució del camp magnètic és també important. En particular, hem suposat que la propagació que és dóna en el cable és una propagació transversal electromagnètica (TEM). Un cop definit el problema hem desenvolupat un programa en llenguatge FORTRAN que amb l'algoritme de diferències finites soluciona el sistema global. La solució del sistema global s'ha aplicat a una configuració particular de DTD com a multiplicador de freqüència per tal de discutir quins paràmetres de les connexions permet maximitzar la potència real que pot donar el DTD.

Solving higher-dimensional continuous time stochastic control problems by value function regression

The paper develops a method to solve higher-dimensional stochasticcontrol problems in continuous time. A finite difference typeapproximation scheme is used on a coarse grid of low discrepancypoints, while the value function at intermediate points is obtainedby regression. The stability properties of the method are discussed,and applications are given to test problems of up to 10 dimensions.Accurate solutions to these problems can be obtained on a personalcomputer.

Numerical simulation of ambient seismic wavefield modification caused by pore-fluid effects in an oil reservoir

We have modeled numerically the seismic response of a poroelastic inclusion with properties applicable to an oil reservoir that interacts with an ambient wavefield. The model includes wave-induced fluid flow caused by pressure differences between mesoscopic-scale (i.e., in the order of centimeters to meters) heterogeneities. We used a viscoelastic approximation on the macroscopic scale to implement the attenuation and dispersion resulting from this mesoscopic-scale theory in numerical simulations of wave propagation on the kilometer scale. This upscaling method includes finite-element modeling of wave-induced fluid flow to determine effective seismic properties of the poroelastic media, such as attenuation of P- and S-waves. The fitted, equivalent, viscoelastic behavior is implemented in finite-difference wave propagation simulations. With this two-stage process, we model numerically the quasi-poroelastic wave-propagation on the kilometer scale and study the impact of fluid properties and fluid saturation on the modeled seismic amplitudes. In particular, we addressed the question of whether poroelastic effects within an oil reservoir may be a plausible explanation for low-frequency ambient wavefield modifications observed at oil fields in recent years. Our results indicate that ambient wavefield modification is expected to occur for oil reservoirs exhibiting high attenuation. Whether or not such modifications can be detected in surface recordings, however, will depend on acquisition design and noise mitigation processing as well as site-specific conditions, such as the geologic complexity of the subsurface, the nature of the ambient wavefield, and the amount of surface noise.

Dynamic compact thermal models with multiple power sources: application to an ultrathin chip stacking technology

Whereas numerical modeling using finite-element methods (FEM) can provide transient temperature distribution in the component with enough accuracy, it is of the most importance the development of compact dynamic thermal models that can be used for electrothermal simulation. While in most cases single power sources are considered, here we focus on the simultaneous presence of multiple sources. The thermal model will be in the form of a thermal impedance matrix containing the thermal impedance transfer functions between two arbitrary ports. Eachindividual transfer function element ( ) is obtained from the analysis of the thermal temperature transient at node ¿ ¿ after a power step at node ¿ .¿ Different options for multiexponential transient analysis are detailed and compared. Among the options explored, small thermal models can be obtained by constrained nonlinear least squares (NLSQ) methods if the order is selected properly using validation signals. The methods are applied to the extraction of dynamic compact thermal models for a new ultrathin chip stack technology (UTCS).

On the use of spatially discrete data to compute energy and mass balance

In many practical applications the state of field soils is monitored by recording the evolution of temperature and soil moisture at discrete depths. We theoretically investigate the systematic errors that arise when mass and energy balances are computed directly from these measurements. We show that, even with no measurement or model errors, large residuals might result when finite difference approximations are used to compute fluxes and storage term. To calculate the limits set by the use of spatially discrete measurements on the accuracy of balance closure, we derive an analytical solution to estimate the residual on the basis of the two key parameters: the penetration depth and the distance between the measurements. When the thickness of the control layer for which the balance is computed is comparable to the penetration depth of the forcing (which depends on the thermal diffusivity and on the forcing period) large residuals arise. The residual is also very sensitive to the distance between the measurements, which requires accurately controlling the position of the sensors in field experiments. We also demonstrate that, for the same experimental setup, mass residuals are sensitively larger than the energy residuals due to the nonlinearity of the moisture transport equation. Our analysis suggests that a careful assessment of the systematic mass error introduced by the use of spatially discrete data is required before using fluxes and residuals computed directly from field measurements.

Composition, nanostructure, and optical properties of silver and silver-copper lusters

Lusters are composite thin layers of coinage metal nanoparticles in glass displaying peculiar optical properties and obtained by a process involving ionic exchange, diffusion, and crystallization. In particular, the origin of the high reflectance (golden-shine) shown by those layers has been subject of some discussion. It has been attributed to either the presence of larger particles, thinner multiple layers or higher volume fraction of nanoparticles. The object of this paper is to clarify this for which a set of laboratory designed lusters are analysed by Rutherford backscattering spectroscopy, transmission electron microscopy, x-ray diffraction, and ultraviolet-visible spectroscopy. Model calculations and numerical simulations using the finite difference time domain method were also performed to evaluate the optical properties. Finally, the correlation between synthesis conditions, nanostructure, and optical properties is obtained for these materials.

Siltanosturin teräsrakenteen suunnittelun avuksi luodun ohjelman jatkokehitys

Diplomityössä tehdään jatkokehitystä KCI Konecranes yrityksen siltanosturin laskentaohjelmaan. Ohjelman tärkeimmät jatkokehityskohteet kartoitettiin käyttäjäkyselyn avulla ja niistä valittiin toivotuimmat, sekä diplomityön lujuusopilliseen aihepiiriin parhaiten soveltuvat. Työhön valitut kaksi aihetta ovat koteloprofiilin kaksiosaisen uuman lujuuslaskennan selvittäminen ja siltanosturin kahdeksanpyöräisenpäätykannattajan elementtimallin suunnittelu. Diplomityössä selvitetään jatkokehityskohteisiin liittyvä teoria, mutta varsinainen ohjelmointi jätetään työn ulkopuolelle. Kaksiosaisella uumalla varustetussa koteloprofiilissa nostovaunun kulkukiskon alla olevan uuman yläosa tehdään paksummaksi, jotta uuma kestäisi nostovaunun pyöräkuormasta aiheutuvan paikallisen jännityksen, eliniin sanotun rusennusjännityksen. Rusennusjännityksen määrittäminen uumalevyissä on kaksiosaisen uuman lujuuslaskennan tärkein tehtävä. Rusennuksen aiheuttamankalvojännityksen ja jännityskeskittymien määrittämiseen erilaisissa konstruktioissa etsittiin sopivimmat menetelmät kirjallisuudesta ja standardeista. Kalvojännitys voidaan määrittää luotettavasti käyttäen joko 45 asteen sääntöä tai standardin mukaista menetelmää ja jännityskonsentraatioiden suuruus saadaan kertomallakalvojännitys jännityskonsentraatiokertoimilla. Menetelmien toimivuus verifioitiin tekemällä kymmeniä uuman elementtimalleja erilaisin dimensioin ja reunaehdoin ja vertaamalla elementtimallien tuloksia käsin laskettuihin. Käsin lasketut jännitykset saatiin vastaamaan tarkasti elementtimallien tuloksia. Kaksiosaisen uuman lommahdus- ja väsymislaskentaa tutkittiin alustavasti. Kahdeksanpyöräisiä päätykannattajia käytetään suurissa siltanostureissa pienentämään pyöräkuormia ja radan rusennusjännityksiä. Kahdeksanpyöräiselle siltanosturin päätykannattajalle suunniteltiin elementtimallit molempiin rakenteesta käytettyihin konstruktioihin: nivelöityyn ja jäykkäkehäiseen malliin. Elementtimallien rakentamisessa hyödynnettiin jo olemassa olevia malleja, jolloin niiden lisääminen ohjelmakoodiin nopeutuu ja ne ovat varmasti yhteensopivia muiden laskentamoduuleiden kanssa. Elementtimallien värähtelyanalyysin reunaehtoja tarkasteltiin. Värähtelyanalyysin reunaehtoihin ei tutkimuksen perusteella tarvitse tehdä muutoksia, mutta staattisen analyysin reunaehdot kaipaavat vielä lisätutkimusta.