Many control systems of practical importance are multivariable. In such systems, each manipulated variable (input signal) may affect several controlled variables (output signals) causing interaction between the input/output loops. For this reason, control of multivariable systems is typically much more difficult compared to the single-input single-output case. It is therefore of great importance to quantify the degree of interaction so that proper input/output pairings that minimize the impact of the interaction can be formed. For this, dedicated interaction measures can be used. The first part of this thesis treats interaction measures. The commonly used Relative Gain Array (RGA) is compared with the Gramian-based interaction measures the Hankel Interaction Index Array (HIIA) and the Participation Matrix (PM) which consider controllability and observability to quantify the impact each input signal has on each output signal. A similar measure based on the <img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?%5Cmathcal%20H_2" /> norm is also investigated. Further, bounds on the uncertainty of the HIIA and the PM in case of uncertain models are derived. It is also shown how the link between the PM and the Nyquist diagram can be utilized to numerically calculate such bounds. Input/output pairing strategies based on linear quadratic Gaussian (LQG) control are also suggested. The key idea is to design single-input single-output LQG controllers for each input/output pair and thereafter form closed-loop multivariable systems for each control configuration of interest. The performances of these are compared in terms of output variance. In the second part of the thesis, the activated sludge process, commonly found in the biological wastewater treatment step for nitrogen removal, is considered. Multivariable interactions present in this type of bioreactor are analysed with the tools discussed in the first part of the thesis. Furthermore, cost-efficient operation of the activated sludge process is investigated.

Abstract Energy production in combustion power plants is a significant source of anthropogenic carbon dioxide emissions. The targets of international climate agreements call for utilizing all available technologies to achieve rapid and cost-effective emission reductions. Carbon capture and storage is one of the possible technical solutions applied in combustion power plants. Circulating fluidized bed boilers have gained increasing popularity due to advantages in availability, emission control, fuel flexibility and option for using challenging fuels, and the possibility of using high-efficiency steam cycles. In the novel process of oxy-combustion, combustion air is replaced by a mixture of oxygen and recycled flue gas to facilitate the capture of carbon dioxide from the flue gas flow. Additional degrees of freedom become available for combustion control as the gas flow and composition can be controlled separately for fluidization and combustion purposes. In the research for this thesis, self-optimizing control was applied for the control structure design of a circulating fluidized bed boiler. Self-optimizing control offers a systematic tool for the early phases of control design, in which decisions have traditionally been made based on intuition, heuristics and previous experience. The self-optimizing control approach searches for controlled variables without a need for constant setpoint optimization when the process is affected by disturbances and implementation errors. Results presented in the thesis show that self-optimizing control can be applied in the control structure design of circulating fluidized bed combustion. A range of control structure alternatives were evaluated using steady-state approximations of a validated process model. For the novel oxy-combustion process, promising control structures were identified and could be dynamically demonstrated. / Tiivistelmä Energiantuotanto polttovoimalaitoksissa on merkittävä hiilidioksidipäästöjen lähde. Kansainväliset ilmastotavoitteet edellyttävät kaikkien käytettävissä olevien teknologioiden hyödyntämistä päästövähennysten aikaansaamiseksi nopeasti ja kustannustehokkaasti. Hiilidioksidin talteenotto on yksi mahdollisista teknisistä ratkaisuista polttovoimalaitoksissa. Kiertoleijukattilat ovat saavuttaneet kasvavaa suosiota etuinaan hyvä käytettävyys, tehokas päästöjen hallinta, soveltuvuus erilaisten haastavienkin polttoaineiden hyödyntämiseen ja mahdollisuus tehokkaiden höyrykiertojen käyttöön. Uudessa happipolttoprosessissa palamisilma korvataan hapen ja kierrätetyn savukaasun seoksella, mikä mahdollistaa hiilidioksidin talteenoton savukaasuista. Kiertoleijupolton säädön kannalta vapausasteet lisääntyvät, sillä leijutukseen ja polttamiseen käytettävän kaasun määrää ja koostumusta voidaan säätää erikseen. Väitöstutkimuksessa käytettiin itseoptimoivaa säätöä kiertoleijukattilan säätörakenteiden suunnitteluun. Itseoptimoiva säätö tarjoaa systemaattisen menetelmän säätösuunnittelun alkuvaiheeseen, jossa päätöksenteko on perinteisesti tehty esimerkiksi intuition, heuristiikan ja aiempien ratkaisujen perusteella. Menetelmän tavoitteena on löytää säädettävät muuttujat, joiden asetusarvot eivät vaadi jatkuvaa optimointia, vaikka prosessiin vaikuttavat erilaiset häiriöt ja mittausvirheet. Väitöstutkimuksen tulokset osoittavat, että itseoptimoiva säätö soveltuu kiertoleijupolton säätörakenteiden suunnitteluun. Erilaisten säätörakenteiden toimivuutta arvioitiin käyttäen validoidun prosessimallin tasapainotilan approksimaatioita. Uudelle happipolttoprosessille löydettiin lupaavia säätörakenteita, joiden toimintaa voitiin demonstroida myös dynaamisesti.

A integridade de dutos ganha importância à medida em que o desenvolvimento da indústria expande a malha para transportar líquidos e gases num contexto de aumento das exigências ambientais. Um importante aliado para manutenção da integridade de dutos são reparos de materiais compósitos. Estes materiais apresentam baixa densidade, capacidade de direcionar resistência de acordo com as direções das solicitações, execução de reparo a frio sem necessidade de interromper produção ou grande maquinário. Este trabalho tem como objetivo desenvolver e implementar um algoritmo de elementos finitos que permita avaliar os esforços e a resistência das paredes de um tubos fabricados ou reparados com laminados de material compósito carregados com pressão interna. Entre as vantagens de desenvolver um programa tem-se: agilidade de avaliação, menor custo com licença, menores exigências computacionais, possibilidade de desenvolver o programa e o melhor entendimento da modelagem dos fenômenos. Utiliza-se como entrada do programa o diâmetro do duto, pressão interna e parâmetros do laminado. A modelagem em elementos finitos é realizada a partir da teoria clássica de laminados. Aplicando o carregamento resultante da pressão interna, determina-se os deslocamentos e são calculadas as tensões e aplicado o critério de falha de Tsai-Hill em cada camada. Estudos experimentais e numéricos encontrados na literatura foram simulados com o programa gerado e os resultados para propriedades do laminado, tensões nos dutos e pressão de ruptura apresentam concordância com os resultados da literatura.O programa ainda tem sua estrutura modificada para encontrar a pressão de falha a partir dos dados do laminado. O programa implementado permite uma avaliação rápida de resistência do reparo e possibilita avaliar rapidamente a resposta a mudanças nos parâmetros de projeto do laminado. / Nowadays the integrity of pipelines gets even more important as a result of the industry growth and strong enviromental requirements. An important ally in the maintenance of the integrity is the repair with composite materials. These materials have low specific gravity, repair can be done at low temperatures and they can orientate the main resistence according to the load. The goal of this work is to develop and inplement an algorithm that allows the assessment of loads and strength in the pipes loaded with internal pressure manufactured or repaired with composite laminates using the finite element method. Among the advantages of the own software development there are agility for the assessment , lower cost with software licence, lower computational demands, possibility of developing the software and a better understanding of the modeling of the fenomena. The inputs of the software are the diameter of the pipe, internal pressure and parameters of the composite laminate. The finite element analysis is constructed according to the classical laminate theory. After the loads resulting of the internal pressure are applied, the displacements are calculated and then the stresses and Tsai-Hill failure criteria are determined for each layer. Experimental and numerical studies were simulated with the developed software and the results for the laminae properties, pipe stress and the failure pressure are in agreement with the results found in the review. The software is modified in order to end the failure pressure to show the versatility of the algorithm. We conclude that the algorithm allows a fast assessment of the strenght of pipeline repair and the changes in the answer of the pipe when the repair parameters are changed.

A integridade de dutos ganha importância à medida em que o desenvolvimento da indústria expande a malha para transportar líquidos e gases num contexto de aumento das exigências ambientais. Um importante aliado para manutenção da integridade de dutos são reparos de materiais compósitos. Estes materiais apresentam baixa densidade, capacidade de direcionar resistência de acordo com as direções das solicitações, execução de reparo a frio sem necessidade de interromper produção ou grande maquinário. Este trabalho tem como objetivo desenvolver e implementar um algoritmo de elementos finitos que permita avaliar os esforços e a resistência das paredes de um tubos fabricados ou reparados com laminados de material compósito carregados com pressão interna. Entre as vantagens de desenvolver um programa tem-se: agilidade de avaliação, menor custo com licença, menores exigências computacionais, possibilidade de desenvolver o programa e o melhor entendimento da modelagem dos fenômenos. Utiliza-se como entrada do programa o diâmetro do duto, pressão interna e parâmetros do laminado. A modelagem em elementos finitos é realizada a partir da teoria clássica de laminados. Aplicando o carregamento resultante da pressão interna, determina-se os deslocamentos e são calculadas as tensões e aplicado o critério de falha de Tsai-Hill em cada camada. Estudos experimentais e numéricos encontrados na literatura foram simulados com o programa gerado e os resultados para propriedades do laminado, tensões nos dutos e pressão de ruptura apresentam concordância com os resultados da literatura.O programa ainda tem sua estrutura modificada para encontrar a pressão de falha a partir dos dados do laminado. O programa implementado permite uma avaliação rápida de resistência do reparo e possibilita avaliar rapidamente a resposta a mudanças nos parâmetros de projeto do laminado. / Nowadays the integrity of pipelines gets even more important as a result of the industry growth and strong enviromental requirements. An important ally in the maintenance of the integrity is the repair with composite materials. These materials have low specific gravity, repair can be done at low temperatures and they can orientate the main resistence according to the load. The goal of this work is to develop and inplement an algorithm that allows the assessment of loads and strength in the pipes loaded with internal pressure manufactured or repaired with composite laminates using the finite element method. Among the advantages of the own software development there are agility for the assessment , lower cost with software licence, lower computational demands, possibility of developing the software and a better understanding of the modeling of the fenomena. The inputs of the software are the diameter of the pipe, internal pressure and parameters of the composite laminate. The finite element analysis is constructed according to the classical laminate theory. After the loads resulting of the internal pressure are applied, the displacements are calculated and then the stresses and Tsai-Hill failure criteria are determined for each layer. Experimental and numerical studies were simulated with the developed software and the results for the laminae properties, pipe stress and the failure pressure are in agreement with the results found in the review. The software is modified in order to end the failure pressure to show the versatility of the algorithm. We conclude that the algorithm allows a fast assessment of the strenght of pipeline repair and the changes in the answer of the pipe when the repair parameters are changed.

[pt] Esta pesquisa tem por objetivo a análise experimental do comportamento à flexão, a curto e longo prazo, de vigas de seção I de concreto reforçado com tecido de carbono (Textile Reinforced Concrete - TRC). Foram utilizados quatro tipos de tecido de carbono, sendo eles diferenciados pelas dimensões da malha e seção transversal dos cordões, assim como pelo revestimento do tecido. As amostras foram identificadas de acordo com o nome do revestimento, sendo eles de estireno butadieno (SBR) e SBR com impregnação de areia (SND), acrilato (ACR) e epóxi (EPX). Inicialmente, foram realizados ensaios de flexão em quatro pontos nas vigas, considerando o tecido SBR e as seguintes condições: (a) matriz cimentícia simples; (b) matriz simples e têxtil revestido de areia; e (c) matriz strain hardening cement‐based composite (SHCC). O principal objetivo foi correlacionar as melhorias nas propriedades da interface e da matriz com o padrão de fissuração, modo de falha e ductilidade. Foi utilizado um método teórico para avaliação do comportamento à flexão das vigas, que obteve boa concordância com os resultados experimentais. Na etapa seguinte, as propriedades mecânicas de diferentes tipos de TRC e sua interface foram estudadas através de ensaios de tração direta, arrancamento e compressão. A influência de diferentes configurações de ensaio e a eficácia dos parâmetros obtidos nestes ensaios foram verificados para a previsão do desempenho de vigas de TRC ensaiadas em flexão de forma monotônica. O estudo foi capaz de indicar os métodos de caracterização mais adequados para derivar propriedades mecânicas a serem utilizadas em métodos analíticos, assim como a influência dos diferentes parâmetros de ensaio na capacidade de carga do compósito. Finalmente, foi investigado o comportamento de longo duração das vigas de seção sob carregamento permanente de 4 kN. Um modelo analítico foi usado para analisar os resultados em termos de módulo efetivo do tecido, resistência à tração do concreto e tensão nominal de aderência. O modelo mostrou que o tecido SBR é fortemente afetado pela carga permanente. As vigas SND, ACR e EPX formaram novas fissuras durante os ensaios de fluência e a redução do módulo efetivo observada não foi acompanhada pelo aumento da abertura da fissura. Confirmou-se a grande influência da adesão entre tecido e matriz na capacidade de carga do compósito, a diminuição da resistência da matriz devido à incorporação do tecido, bem como a divergência das condições dos ensaios de caracterização do compósito. / [en] The present research aims to perform an experimental investigation on the short and long-term flexural behavior of I-section textile reinforced concrete (TRC) beams. Four types of carbon fabric were used, differentiated by the mesh dimensions and yarn cross-section, as well as by the fabric coating. The samples were identified according to the name of the coating, being styrene butadiene rubber (SBR) and SBR impregnated with sand (SND), acrylate (ACR) and epoxy (EPX) resin. Initially, four‐point bending tests were performed in I‐beams, considering SBR fabric and the following conditions: (a) plain cementitious matrix; (b) plain matrix and sand‐coated textile; and (c) strain hardening cement‐based composite (SHCC) matrix. The main goal was to correlate the improvements on interface and matrix properties with the crack pattern, failure mode and ductility. A theoretical method was used to evaluate the flexural behavior of the beams and good agreement was achieved with the experimental results. In the next step, the mechanical properties of different types of carbon-TRC and their interface were studied through direct tensile, pullout and compression tests. The influence of different test configurations and the effectiveness of the parameters obtained in these tests were verified for the performance prediction of TRC beams tested in bending in a monotonic way. The study was able to indicate the most suitable characterization methods to derive mechanical properties to be used in analytical methods, as well as to show the influence of different testing parameters on the load capacity of the composite. Finally, the long-term behavior of I-section beams reinforced with carbon fabric under sustained loading of 4 kN was investigated. An analytical model was used to analyze the results in terms of effective textile moduli, concrete tensile strength and the nominal bond stress. The model showed that SBR textile is strongly affected by sustained load. SND, ACR and EPX beams formed new cracks during creep and the reduction in effective modulus observed was not accompanied by increase in crack width. It was confirmed the great influence of adhesion between fabric and matrix on the load capacity of the composite, the decrease in matrix strength due to fabric incorporation, as well as the divergence of the conditions of composite characterization tests.

The hull is the most important structural part of any maritime vessel. It must be adequately designed to withstand the harsh sailing environmental conditions and associated forces. In the past, the basic material used to manufacture the ship hull was wood, where the hull was usually shaped as cylindrical wooden shanks. In the present, hull designs have developed to steel columns or stiffened panels that are made of different types of materials. Panels that are stiffened orthogonally in two or more directions and have nine independent material constants are defined as orthotropic panels, and they achieve high specific strength. This thesis presents the effect of different patch orientations on the resulting strain and stress concentrations at the area of interaction between the panel and the patch. As it is known, the behavior of stiffened plates is affected by several important parameters, e.g., length to width ratio of the panel, stiffener geometry and spacing, aspect ratio for plates between stiffeners, plate slenderness, von Mises stresses, initial distortions, boundary conditions, and type of loading. A finite element model of the ship hull has been developed and run on ABAQUS (commercially available finite element software). The stiffened panel and patch are modeled as equivalent orthotropic plates made of steel. The panel edges are considered to be simply supported, and uniaxial tension was applied to the equivalent stiffened panel in addition to the lateral pressure (from water interaction). The developed model successfully predicted the optimal orientation of the panel for maximum stress concentration reduction. Moreover, in order to minimize the severe conditions caused by the mismatch that occurs if the material properties of the patch and the panel are the same during the patching process, it is necessary to stiffened the patch more than the panel. The developed model also suggested that an isotropic layer be added at the interaction to decrease the severity of arising stresses.

<p dir="ltr">Multiscale topology optimization is a numerical method that enables the synthesis of hierarchical structures, offering greater design flexibility than single-scale topology optimization. However, this increased flexibility also incurs higher computational costs. Recent advancements have integrated machine learning models into MSTO methods to address this issue. Unfortunately, existing machine learning-based multiscale topology optimization (ML-MSTO) approaches underutilize the potential of machine learning models to surrogate the inner optimization, analysis, and numerical homogenization of arbitrary non-periodic microstructures. This dissertation presents an ML-MSTO method featuring displacement-driven topology-optimized microstructures (TOMs). The proposed method solves an outer optimization problem to design a homogenized macroscale structure and multiple inner optimization problems to obtain spatially distributed, non-periodic TOMs. The inner problem formulation employs the macroscale element densities and nodal displacements to define constraints and boundary conditions for microscale density-based topology optimization problems. Each problem yields a free-form TOM. To reduce computational costs, artificial neural networks (ANNs) are trained to predict their homogenized constitutive tensor. The ANNs also enable sensitivity coefficients to be approximated through a variety of standard derivative methods. The effect of the neural network-based derivative methods on topology optimization results is evaluated in a comparative study. An explicit dehomogenization approach is proposed, leveraging the TOMs of the ML-MSTO method. The explicit approach also features two post-processing schemes to improve the connectivity and clean the final multiscale structure. A 2D and a 3D case study are designed with the ML-MSTO method and dehomogenized with the explicit approach. The resulting multiscale structures are non-periodic with free-form microstructures. In addition, a second implicit dehomogenization approach is developed in this dissertation that allows the projection of homogenized mechanical property fields onto a discrete lattice structure of arbitrary shape. The implicit approach is capable of dehomogenizing any homogenized design. This is done by incorporating an optimization algorithm to find the lattice thickness distribution that minimizes the difference between a local target homogenized property and a corresponding lattice homogenized stiffness tensor. The result is a well-connected, functionally graded lattice structure, that enables control over the length scale, orientation, and complexity of the final microstructured design.</p>

[pt] Há uma crescente demanda por soluções enxutas na indústria da construção. Para atingir esse objetivo, não apenas a solução final deve ser eficiente, mas também todo o processo deve ter sua eficiencia melhorada. A metodologia BIM associada à colaboração entre engenheiros e arquitetos no processo de projeto é vista como uma forma the gerar soluções mais eficientes e enxutas. Contudo, as pesquisas têm focado no desenvolvimento e no uso de softwares de modelagem 3D e pouca atenção tem sido dada a interação entre as equipes de projeto. Neste trabalho, um processo de projeto é proposto para facilitar a integração entre o projeto estrutural e o projeto arquitetônico nas fases iniciais do desenvolvimento do projeto. A filosofia proposta pode ser estendida para melhorar a integração entre o projetos de arquitetura e os projetos de outras áreas como instalações hidráulicas e elétrica. Para auxiliar na implementação do processo proposto, um plugin, chamado ConDA, foi desenvolvido para o software Autodesk Revit. A ferramenta desenvolvida permite que o arquiteto verifique de forma preliminar estruturas de concreto armado. Ao se utilizar o ConDA, essa verificação é antecipada dentro do processo de projeto, evitando a concepção the estruturas inviáveis e facilitando a comunicação entre engenheiros estruturais e arquitetos. O plugin foi testado por vinte e quatro arquitetos que avaliaram a sua usabilidade e seus benefícios em reduzir tempo e esforço gastos nos projetos arquitetônicos. As principais contribuições do aplicativo apontadas pelos entrevistados foram a melhoria na comunicação entre engenheiros estruturais e arquitetos, e a redução no número de revisões de projeto, o que consequentemente reduzem o tempo gasto no projeto. A partir dos comentários dos entrevistados também foi possível concluir que o plugin é uma ferramenta útil no ensino de projeto de arquitetura, ajudando o aluno a desenvolver suas habilidades estruturais. Os resultados do teste ratificaram a hipótese de que o processo de projeto auxiliado pelo ConDA tem sua qualidade e eficiência aumentadas. / [en] There is an increasing demand for lean solutions in the construction industry. To achieve this, not only the final solution must be efficient, but the whole process also needs to have its efficiency improved. The BIM methodology with the collaboration between engineers and architects in the design process is viewed as a way of generating more efficient and lean solutions. However, much of the research effort has focused in the development and usage of 3D modeling software packages rather than in the direction of integrating the design teams. In this work, a design process is proposed to facilitate the integration between the structural design and the architectural design at the early stages of the process. The proposed philosophy can be extended to enable better integration between the architectural design and other design areas, such as mechanical and electrical systems. To help the implementation of the proposed process a plugin, named ConDA, was developed for the Software Autodesk Revit. The developed tool allows the architect to perform preliminary verifications of reinforced concrete structures. The use of ConDA anticipates this verification to an earlier stage in the design process, which avoids the conception of unfeasible structures and facilitates the communication between architects and structural engineers. The plugin was tested by twenty-four architects. They evaluated its usability and the benefits in reducing the time and effort spent in the architectural design. ConDA s main contributions, according to the architects interviewed, is the improvement of the communication between architect and structural engineer, and the reduction of the number of design reviews and, consequently, the reduction of time spent during the design. The comments given by the interviewees also indicate that the plugin can be a useful tool in education by helping architectural students improve their structural design skills. The results of the test ratified the hypothesis that the ConDA assisted design process can increase the quality and efficiency of the architectural design process.

With the tendency of agile work space and remote working, the importance of communication tools, especially the computer-mediated ones, is highlighted in increasing employees’ overall work-performance. Car, as a place where people spend most of time, is somewhere business-related communication could be conducted. However, the method of finding important communication tools from the perspective of software development and the method to design a business-communication application (BCA) in a car machine are still in exploration. The purpose of this master thesis is to design a function structure of businesscommunication application and its prototype in a car machine, to help employees increase their work performance. This thesis has two results: A method of finding the importance order of communication tools A method to design a function structure of BCA and a prototype of BCA on a car machine, based on the importance order of communication tools / Med en ökad tendens till flexibelt arbetsutrymme och fjärrarbete får kommunikationsverktygens betydelse för att öka den totala arbetsprestandan ökad uppmärksamhet. Bilen, som är en plats där människor tillbringar mycket tid, skulle kunna användas för arbetsrelaterad kommunikation. Men metoderna för att hitta viktiga kommunikationsverktyg ur perspektivet av mjukvaruutveckling och metoderna för att utforma en affärskommunikationsapplikation i en bil är fortfarande under utveckling.Syftet med detta examensarbete är att utforma funktionsstrukturen och prototypen som svarar mot denna för arbetsrelaterad kommunikation i bilar för att hjälpa anställda att upprätthålla arbetskapaciteten. Denna avhandling har två resultat: En metod för att hitta prioriteten av betydelsen av de olika kommunikationsverktygen En metod för att designa en funktionsstruktur av arbetsrelaterad kommunikation och en prototyp av tillämpningen på denna funktionsstruktur applicerad i en bil.

Crystal engineering is defined as “the understanding of intermolecular interactions in the context of crystal packing and in the utilisation of such understanding in the design of new solids with desired physical and chemical properties”. If crystals are the supramolecular equivalents of molecules, then crystal engineering is the supramolecular equivalent of organic synthesis. The subject considers both crystal structure analysis and design of new structures with targeted properties. The concept of “Supramolecular Synthons” was introduced by G. R. Desiraju in this context, for the rational design of structures. Supramolecular synthons are the smallest reducible structural units that contain geometrical and chemical information required for recognition between functional groups in molecular solids. Crystal engineering has grown very fast after the introduction of this idea in 1995 and engineered solids were found to be useful for application in many diverse fields, from structural chemistry to drug design. Because of the great significance of supramolecular synthons, their identification and analysis in terms of crystallographic, spectroscopic, and computational methods is essential. Single crystal X-ray diffraction (SCXRD) is a widely used technique for the identification of synthon structure. But the technique has its own limitations like requirement of good quality, suitably sized single crystals, longer times associated with the process which further restricts high throughput analysis. Practically, there is no other way for identification of synthons on a regular basis. In this situation a simple, accurate, and fast method will be of significance; not only for basic studies, but also to scan different solid state phases in pharmaceutical industries. Due to this reason, I have studied IR spectroscopy to find marker bands for different synthons in the first part of the thesis. In chapter 2, I have analyzed a variety of C–H···X based weak synthons. For identification of each synthon, two sets of compounds were taken. In one set the synthon exists and in the other set it does not. Comparison and verification of IR characteristics helps to establish marker bands. Such markers are used to get information on synthon patterns in compounds with unknown crystal structures. The next challenge is whether or not such an IR method can distinguish different geometries of a same interaction. To address this question, different geometries of NO2···I halogen bonded synthons are investigated in chapter 3. This synthon exists in three geometries P, Q and R based on angular and distance criteria. The identification process is divided into five steps. The first step identifies IR signatures from very similar compounds, but with different topologies. The second step verifies earlier features and establishes IR marker bands. In the next step a graded IR protocol is formulated for stepwise discrimination of unknown systems. Such a graded method is applied for clarification of synthon ambiguities and in the identification of synthons in new compounds. Till now synthon information from crystal structures is used as a basis for IR study. Spectroscopy provides chemical information on intermolecular interactions. Is it possible to use such chemical information for crystal engineering? Chapter 4 deals with this aspect. Here, IR investigation is performed on the acid···amide heterodimer synthon. The initial analysis shows contradictory outcomes for synthon formation. According to IR, the N–H···O interaction is significantly destabilized in this synthon. Why then does the acid···amide synthon form? It is found that the answer lies in the higher stability of the other interaction, O–H···O, in the synthon. In other words, dimer formation will be preferred when the O‒H···O interaction is favoured. This is possible when the acidity of H-atom and the basicity of carbonyl O-atom is high. Based on this, a combinatorial study is performed varying the chemical nature of molecules, electron donating or withdrawing. Four quadrants are generated with different combinations of the molecular nature. The result of the combinatorial study shows different acid–amide oriented synthon preferences from different quadrants. A combination of all the observed synthons creates a structural landscape for the acid–amide system. A particular synthon associated with a specific quadrant is found to be responsible for the mechanical property of the synthesized cocrystals. Analysis on the structural aspects of mechanical properties allows for the formulation of models for property engineering. Can it be possible to use these models for targeted property design, other than serendipitous results? Crystal engineering is associated with three aspects, structure analysis, structure design and property engineering. Structure analysis is the first step in any crystal engineering exercise. It also explains the way by which the subject was started in the early days to correlate structure with property. This is the first phase or generation of crystal engineering. The second generation considers rational design of crystal structure which is facilitated by the concept of the supramolecular synthon. This phase has seen in the incorporation of different synthon based strategies to build a variety of supramolecular architectures. However, there is no prediction of a property which is the ultimate aim of crystal engineering. If one can achieve a desired property by predesign, then crystal engineering will see the final and higher stage which is termed third generation crystal engineering in chapter 5. The second part of the thesis discusses work is this direction, where mechanical properties are targeted and achieved by design using models from previous work. Chapter 6 discusses the engineering of elastic crystals from initial brittle precursors. A capping based model is proposed and used to prepare systems that can adopt the desired structure type. Among many other requirements, the crystals need some structurally buffering regions to show elasticity. Type-II electrostatic halogen bonds are used to construct such buffering regions. When the crystals are obtained according to the model type, they show reversible elastic deformation. σ-Hole based halogen bonds are crucial to the synthesis. But, during the project some adverse effects were noticed/realized for the use of halogen bonds. This suggests the need for an alternative methodology. A synthon that can mimic both the geometrical and chemical nature of σ-hole based halogen bonds would be useful to replace the earlier one. A search in this respect results in π-hole oriented orthogonal synthons based on C=O···C=O and NO2···NO2 interactions. A stepwise replacement procedure is applied to see and carry forward structural modularity in the new systems. Cocrystal systems are chosen for easy replacement by changing the constituents. Halogen bonds in cocrystals of the first step are partially substituted by a π-hole mimicking synthon in the second step and completely substituted in the third step. All the structures in the different steps are found to retain the same property, namely elasticity, although they possess dissimilar synthons. These aspects are discussed in chapter 7. Chapter 8 deals with the design of hand twistable helical crystals which are known to result during natural growth. Helical shape crystals are highly impactful for application in metamaterials and lithographic techniques, but at the same time occurrence of such morphology is unpredictable. Such shape generates from the periodic bending of crystals and thus needs multiple deformation directions. Here, a multistep crystal engineering procedure is adopted to get two directionally (2D) plastically bendable crystals, starting from one directional (1D) plastic crystals. Halogen bonds again play a major role in the design. The route follows the order 1D plastic crystals → 1D elastic crystals → 2D elastic crystals → 2D plastic crystals. These 2D plastic crystals are used to obtain hand-twisted helical crystals. Here, different properties namely elastic and plastic are seen in identically structured compounds. Once again, problems in using halogens are noticed. To address the issue of halogens, chapter 9 uses halogen bond/hydrogen bond equivalence to replace halogen bonds by geometrically and chemically similar hydrogen bonds. However, the first designed molecule in this respect did not result in the desired structure. The obligations are removed by applying the molecular/supramolecular equivalence strategy on the earlier molecule. Such an attempt gives another completely hydrogen bonded system that can now adopt the model structure and show a similar 2D plasticity. Crystals of this compound are also hand twistable. Third generation crystal engineering needs predesign models for targeted property engineering. In this context some differently structured elastic crystals are compared with common brittle crystals to identify and ascertain the structural requirements. This analysis helps in constructing different models for future engineering of elastic crystals. It also tabulates the structural and interaction differences in obtaining different mechanical properties namely shearing, plastic, elastic and brittle. In summary, these two major aspects for doing crystal engineering are highlighted in my thesis. One is the identification of robust synthons and the other is the use of synthon based structure design for property engineering. The first part of the thesis discusses the IR spectroscopic method for identification of synthons and then uses the spectral information for crystal structure engineering. The second part is related to deliberate crystal property engineering and uses structure-property relationships from the previous chapters and the literature to formulate predesign models and strategy. Achieving crystal properties in this way is expected to initiate the fast progress of the third generation crystal engineering.