Tensile properties of polymer repair materials - effect of test parameters

In this research, five types of polymer repair materials were selected for investigation of the influence of sample shape, deformation rate and test temperature on the mechanical properties determined with an uniaxial tensile test. The results showed the clear effect of measurement conditions on tensile strength, elongation and modulus of elasticity. The highest tensile strength and modulus of elasticity were exhibited by epoxy resin for the filling of concrete cracks, which achieved 1% elongation. The lowest coefficient of dispersion characterized the results of tensile test carried out using dumbbell samples at a deformation rate of 50 mm/min. The effect of temperature varied with the material type.

Effective Structural Concrete Repair, Volume 3 of 3, Evaluation of Repair Materials for Use in Patching Damaged Concrete, March 2004

Structural concrete is one of the most commonly used construction materials in the United States. However, due to changes in design specifications, aging, vehicle impact, etc. – there is a need for new procedures for repairing concrete (reinforced or pretressed) superstructures and substructures. Thus, the overall objective of this investigation was to develop innovative cost effective repair methods for various concrete elements. In consultation with the project advisory committee, it was decided to evaluate the following three repair methods: • Carbon fiber reinforced polymers (CFRPs) for use in repairing damaged prestressed concrete bridges • Fiber reinforced polymers (FRPs) for preventing chloride penetration of bridge columns • Various patch materials The initial results of these evaluations are presented in this three volume final report. Each evaluation is briefly described in the following paragraphs. A more detailed abstract of each evaluation accompanies the volume on that particular investigation.

Advanced polymeric materials for applications in technical equipment for snow sports

The thesis is divided in three chapters, each one covering one topic. Initially, the thermo-mechanical and impact properties of materials used for back protectors have been analysed. Dynamical mechanical analysis (DMTA) has shown that materials used for soft-shell protectors present frequency-sensitive properties. Furthermore, through impact tests, the shock absorbing characteristics of the materials have been investigated proving the differences between soft and hard-shell protectors; moreover it has been demonstrated that the materials used for soft-shell protectors maintain their protective properties after multi-impacts. The second chapter covers the effect of the visco-elastic properties of the thermoplastic polymers on the flexural and rebound behaviours of ski boots. DMTA analysis on the materials and flexural and rebound testing on the boots have been performed. A comparison of the results highlighted a correlation between the visco-elastic properties and the flexural and rebound behaviour of ski boots. The same experimental methods have been used to investigate the influence of the design on the flexural and rebound behaviours. Finally in the third chapter the thermoplastic materials employed for the construction of ski boots soles have been characterized in terms of chemical composition, hardness, crystallinity, surface roughness and coefficient of friction (COF). The results showed a relation between material hardness and grip, in particular softer materials provide more grip with respect to harder materials. On the contrary, the surface roughness has a negative effect on friction because of the decrease in contact area. The measure of grip on inclined wet surfaces showed again a relation between hardness and grip. The performance ranking of the different materials has been the same for the COF and for the slip angle tests, indicating that COF can be used as a parameter for the choice of the optimal material to be used for the soles of ski boots.

Research and development on advanced graphite materials.

Mode of access: Internet.

Advanced Luminescent Materials for Technological Applications

This thesis focusses on the study of several luminescent materials and investigates some related technological applications. It is made of six chapters. Chapter 1 introduces a brief history, basic principles and applications of photoluminescence. Chapter 2 presents the photophysical properties of five benzoheterodiazole dyes. These molecules were incorporated in PMMA- and PDMS-based LSC-PV devices to determine the emission quantum yields, transmission, re-absorption and IPCE properties. DFT calculations were performed to investigate the structures and energy levels of these dyes. Chapter 3 concerns the preparation of a luminescent film to calibrate an ESA satellite that will monitor the fluorescence of terrestrial vegetation. ZnPc was selected as suitable dye to make the film. Ferrocene was selected as quencher to control the emission intensity. An industrial printing technology was used to produce large-area calibration sheets coated with green pigment that simulates the NIR reflectance of green plants in which the ZnPc is embedded. Photophysical properties of a series of alkynyl gold NHC complexes containing naphthalimide chromophore were studied in Chapter 4. All the compounds were studied in solution and solid state. Further investigations were carried out by incorporating these compounds in PMMA matrix to make films. XRD and DFT calculations were made to determine the structures and energy levels of the complexes. In chapter 5 we studied the photophysical properties of star-shaped molecular systems which can operate as molecular motors when attached onto surface, along with those of their related ligands/moieties in tetrahydrofuran solution. The photophysical properties of these molecular systems can show if they are suitable to operate as light-triggered molecular machines. Finally, chapter 6 concerns the photoluminescence behavior of three NHC half-sandwich Ir/Rh metal complexes. The photophysical properties of these compounds were examined in CH2Cl2 solutions and PMMA films. These complexes may prove potential candidates for organic phosphorescent materials.

Advanced Organic Materials: from Additive Manufacturing to Organic Electronics and Biomedical Applications

This manuscript represents an overview on the studies I was involved in during my PhD at the Industrial Chemistry Department “Toso Montanari”, in the ASOM (Advanced Smart Organic Materials) research group under the supervision of Prof. Letizia Sambri and Prof. Mauro Comes Franchini. Those research have been focused on the development of organic materials for advanced applications in different fields, among which organic electronics, additive manufacturing (3D Printing) and biomedical applications can be underlined.

Adverse effects of intraperitoneal onlay mesh used for incisional hernia repair

Context: In the past 50 years, the use of prosthetic mesh in surgery has dramatically¦changed the management of primary, as well as incisional hernias. Currently, there¦are a large number of different mesh brands and no consensus on the best material,¦nor the best mesh implantation technique to use. The purpose of this study is to¦illustrate the adverse effects of intraperitoneal onlay mesh used for incisional¦hernia repair encountered in patients treated at CHUV for complications after¦incisional hernia repair.¦Materials & Methods: This work is an observational retrospective study. A PubMed¦search and a systematic review of literature were performed. Thereafter, the medical¦records of 22 patients who presented with pain, abdominal discomfort, ileus, fistula,¦abscess, seroma, mesh infection or recurrent incisional hernia after a laparoscopic or¦open repair with intra-abdominal mesh were reviewed.¦Results: Twenty-two persons were reoperated for complications after incisional¦hernia repair with a prosthetic mesh. Ten were male and twelve female, with a¦median age of 58,6 years (range 24-82). Mesh placement was performed by a¦laparoscopic approach in nine patients and by open approach in thirteen others.¦Eight different mesh brands were found (Ultrapro®, Mersilene®, Parietex Composite®,¦Proceed®, DynaMesh®, Gore® DualMesh®, Permacol®, Titanium Metals UK Ltd®).¦Mean time from implantation and reoperation for complication was 34.2 months¦(range 1-147). In our sample of 22 patients, 21 (96%) presented mesh adhesion and¦15 (68%) presented hernia recurrence. Others complications like mesh shrinkage,¦mesh migration, nerve entrapment, seroma, fistula and abscess were also evaluated.¦Conclusion: The majority of articles deal with complications induced by¦intraperitoneal prosthetic mesh, but the effectiveness of mesh has been studied¦mostly on experimental models. Actually and as shown in the present study,¦intraperitoneal mesh placement was associated with severe complications witch may¦potentially be life threatening. In our opinion, intraperitoneal mesh placement should¦only be reserved in exceptional situations, when the modified Rives-Stoppa could not¦be achieved and when tissues covering the mesh are insufficient.

Revascularization and periapical repair after endodontic treatment using apical negative pressure irrigation versus conventional irrigation plus triantibiotic intracanal dressing in dogs` teeth with apical periodontitis

Objective. The objective of this study was to evaluate in vivo the revascularization and the apical and periapical repair after endodontic treatment using 2 techniques for root canal disinfection (apical negative pressure irrigation versus apical positive pressure irrigation plus triantibiotic intracanal dressing) in immature dogs` teeth with apical periodontitis. Study design. Two test groups of canals with experimentally induced apical periodontitis were evaluated according to the disinfection technique: Group 1, apical negative pressure irrigation (EndoVac system), and Group 2, apical positive pressure irrigation (conventional irrigation) plus triantibiotic intracanal dressing. In Group 3 (positive control), periapical lesions were induced, but no endodontic treatment was done. Group 4 (negative control) was composed of sound teeth. The animals were killed after 90 days and the maxillas and mandibles were subjected to histological processing. The sections were stained with hematoxylin and eosin and Mallory Trichrome and examined under light microscopy. A description of the apical and periapical features was done and scores were attributed to the following histopathological parameters: newly formed mineralized apical tissue, periapical inflammatory infiltrate, apical periodontal ligament thickness, dentin resorption, and bone tissue resorption. Intergroup comparisons were done by the Kruskal-Wallis and Dunn`s tests (alpha = 0.05). Results. Although statistically significant difference was found only for the inflammatory infiltrate (P < .05), Group 1 presented more exuberant mineralized formations, more structured apical and periapical connective tissue, and a more advanced repair process than Group 2. Conclusion. From the histological observations, sodium hypochlorite irrigation with the EndoVac system can be considered as a promising disinfection protocol in immature teeth with apical periodontitis, suggesting that the use of intracanal antibiotics might not be necessary. (Oral Surg Oral Med Oral Pathol Oral Radiol Endod 2010; 109: 779-787)

Shear bond strength of metal-ceramic repair systems

Statement of problem. When clinical fractures of the ceramic veneer on metal-ceramic prostheses can be repaired, the need for remake may be eliminated or postponed. Many different ceramic repair materials are available, and bond strength data are necessary for predicting the success of a given repair system.Purpose. This study evaluated the shear bond strength of different repair systems for metal-ceramic restorations applied on metal and porcelain.Material and methods. Fifty cylindrical specimens (9 X 3 mm) were fabricated in a nickel-chromium alloy (Vera Bond 11) and 50 in feldspathic porcelain (Noritakc). Metal (M) and porcelain (P) specimens were embedded in a polyvinyl chloride (PVC) ring and received I of the following bonding and resin composite repair systems (n=10): Clearfil SE Bond/Clearfil AP-X (CL), Bistite II DC/Palfique (BT), Cojet Sand/Z100 (Q), Scotchbond Multipurpose Plus/Z100 (SB) (control group), or Cojet Sand plus Scotchbond Multipurpose Plus/Z100 (CJSB). The specimens were stored in distilled water for 24 hours at 37 degrees C, thermal cycled (1000 cycles at 5 degrees C to 55 degrees C), and stored at 37 degrees C for 8 days. Shear bond tests between the metal or ceramic specimens and repair systems were performed in a mechanical testing machine with a crosshead speed of 0.5 mm/min. Mean shear bond strength values (MPa) were submitted to 1-way ANOVA and Tukey honestly significant difference tests (alpha=.05). Each specimen was examined under a stereoscopic lens with X 30 magnification, and mode of failure was classified as adhesive, cohesive, or a combination.Results. on metal, the mean shear bond strength values for the groups were as follows: MCL, 18.40 +/- 2.88(b); MBT, 8.57 +/- 1.00(d); MCJ, 25.24 +/- 3.46(a); MSB, 16.26 +/- 3.09(bc); and MCJSB, 13.11 +/- 1.24(c). on porcelain, the mean shear bond strength values ofeach group were as follows: PCL, 16.91 +/- 2.22(b); PBT, 18.04 +/- 3.2(ab); PCJ, 19.54 +/- 3.77(ab); PSB, 21.05 +/- 3.22(a); and PCJSB, 16.18 +/- 1.71(b). Within each substrate, identical superscript letters denote no significant differences among groups.Conclusions. The bond strength for the metal substrate was significantly higher using the Q system. For porcelain, SB, Q, and BT systems showed the highest shear bond strength values, and only SB was significantly different compared to CL and CJSB (P <.05).

Mechanical restoration and failure analyses of a hydrogel and scaffold composite strategy for annulus fibrosus repair

Unrepaired defects in the annulus fibrosus of intervertebral disks are associated with degeneration and persistent back pain. A clinical need exists for a disk repair strategy that can seal annular defects, be easily delivered during surgical procedures, and restore biomechanics with low risk of herniation. Multiple annulus repair strategies were developed using poly(trimethylene carbonate) scaffolds optimized for cell delivery, polyurethane membranes designed to prevent herniation, and fibrin-genipin adhesive tuned to annulus fibrosus shear properties. This three-part study evaluated repair strategies for biomechanical restoration, herniation risk and failure mode in torsion, bending and compression at physiological and hyper-physiological loads using a bovine injury model. Fibrin-genipin hydrogel restored some torsional stiffness, bending ROM and disk height loss, with negligible herniation risk and failure was observed histologically at the fibrin-genipin mid-substance following rigorous loading. Scaffold-based repairs partially restored biomechanics, but had high herniation risk even when stabilized with sutured membranes and failure was observed histologically at the interface between scaffold and fibrin-genipin adhesive. Fibrin-genipin was the simplest annulus fibrosus repair solution evaluated that involved an easily deliverable adhesive that filled irregularly-shaped annular defects and partially restored disk biomechanics with low herniation risk, suggesting further evaluation for disk repair may be warranted. Statement of significance Lower back pain is the leading cause of global disability and commonly caused by defects and failure of intervertebral disk tissues resulting in herniation and compression of adjacent nerves. Annulus fibrosus repair materials and techniques have not been successful due to the challenging mechanical and chemical microenvironment and the needs to restore biomechanical behaviors and promote healing with negligible herniation risk while being delivered during surgical procedures. This work addressed this challenging biomaterial and clinical problem using novel materials including an adhesive hydrogel, a scaffold capable of cell delivery, and a membrane to prevent herniation. Composite repair strategies were evaluated and optimized in quantitative three-part study that rigorously evaluated disk repair and provided a framework for evaluating alternate repair techniques.

Comportamiento estructural de elementos de fábrica reforzados con materiales compuestos avanzados solicitados a flexión y flexocompresión

El refuerzo de estructuras existentes mediante el encolado exterior de láminas de polímeros reforzados con fibras (FRP) se ha convertido en la aplicación más común de los materiales compuestos avanzados en construcción. Estos materiales presentan muchas ventajas frente a los materiales convencionales (sin corrosión, ligeros, de fácil aplicación, etc.). Pero a pesar de las numerosas investigaciones realizadas, aún persisten ciertas dudas sobre algunos aspectos de su comportamiento y las aplicaciones prácticas se llevan a cabo sólo con la ayuda de guías, sin que haya una normativa oficial. El objetivo de este trabajo es incrementar el conocimiento sobre esta técnica de refuerzo, y más concretamente, sobre el refuerzo a flexión de estructuras de fábrica. Con frecuencia el elemento reforzado es de hormigón armado y las láminas de FRP encoladas al exterior sirven para mejorar su resistencia a flexión, cortante o compresión (encamisados). Sin embargo su empleo en otros materiales como las estructuras de fábrica resulta muy prometedor. Las fábricas se caracterizan por soportar muy bien los esfuerzos de compresión pero bastante mal los de tracción. Adherir láminas de materiales compuestos puede servir para mejorar la capacidad resistente de elementos de fábrica sometidos a esfuerzos de flexión. Pero para ello, debe quedar garantizada una correcta adherencia entre el FRP y la fábrica, especialmente en edificios antiguos cuya superficie puede estar deteriorada por encontrarse a la intemperie o por el propio paso del tiempo. En el capítulo II se describen los objetivos fundamentales del trabajo y el método seguido. En el capítulo III se hace una amplia revisión del estado de conocimiento sobre el tema. En el apartado III.1 se detallan las principales características y propiedades mecánicas de fibras, matrices y materiales compuestos así como sus principales aplicaciones, haciendo especial hincapié en aspectos relativos a su durabilidad. En el apartado III.2 se incluye una revisión histórica de las líneas de investigación, tanto teóricas como empíricas, publicadas sobre estructuras de hormigón reforzadas a flexión encolando materiales compuestos. El apartado III.3 se centra en el aspecto fundamental de la adherencia refuerzo-soporte. Se hace un repaso a distintos modelos propuestos para prevenir el despegue distinguiendo si éste se inicia en la zona de anclaje o si está inducido por fisuras en la zona interior del elemento. Se observa falta de consenso en las propuestas. Además en este punto se relatan las campañas experimentales publicadas acerca de la adherencia entre materiales compuestos y fábricas. En el apartado III.4 se analizan las particularidades de las estructuras de fábrica. Además, se revisan algunas de las investigaciones relativas a la mejora de su comportamiento a flexión mediante láminas de FRP. El comportamiento mecánico de muros reforzados solicitados a flexión pura (sin compresión) ha sido documentado por varios autores, si bien es una situación poco frecuente en fábricas reales. Ni el comportamiento mecánico de muros reforzados solicitados a flexocompresión ni la incidencia que el nivel de compresión soportado por la fábrica tiene sobre la capacidad resistente del elemento reforzado han sido suficientemente tratados. En cuanto a los trabajos teóricos, las diferentes propuestas se basan en los métodos utilizados para hormigón armado y comparten los principios habituales de cálculo. Sin embargo, presentan diferencias relativas, sobre todo, a tres aspectos: 1) la forma de modelar el comportamiento de la fábrica, 2) el valor de deformación de cálculo del refuerzo, y 3) el modo de fallo que se considera recomendable buscar con el diseño. A pesar de ello, el ajuste con la parte experimental de cada trabajo suele ser bueno debido a una enorme disparidad en las variables consideradas. Cada campaña presenta un modo de fallo característico y la formulación que se propone resulta apropiada para él. Parece necesario desarrollar un método de cálculo para fábricas flexocomprimidas reforzadas con FRP que pueda ser utilizado para todos los posibles fallos, tanto atribuibles a la lámina como a la fábrica. En el apartado III.4 se repasan algunas lesiones habituales en fábricas solicitadas a flexión y se recogen ejemplos de refuerzos con FRP para reparar o prevenir estos daños. Para mejorar el conocimiento sobre el tema, se llevan a cabo dos pequeñas campañas experimentales realizadas en el Instituto de Ciencias de la Construcción Eduardo Torroja. La primera acerca de la adherencia de materiales compuestos encolados a fábricas deterioradas (apartado IV.1) y la segunda sobre el comportamiento estructural a flexocompresión de probetas de fábrica reforzadas con estos materiales (apartado IV.2). En el capítulo V se analizan algunos de los modelos de adherencia propuestos para prevenir el despegue del extremo del refuerzo. Se confirma que las predicciones obtenidas con ellos resultan muy dispares. Se recopila una base de datos con los resultados experimentales de campañas sobre adherencia de FRP a fábricas extraídas de la literatura y de los resultados propios de la campaña descrita en el punto IV.1. Esta base de datos permite conocer cual de los métodos analizados resulta más adecuado para dimensionar el anclaje de láminas de FRP adheridas a fábricas. En el capítulo VI se propone un método para la comprobación en agotamiento de secciones de fábrica reforzadas con materiales compuestos sometidas a esfuerzos combinados de flexión y compresión. Está basado en el procedimiento de cálculo de la capacidad resistente de secciones de hormigón armado pero adaptado a las fábricas reforzadas. Para ello, se utiliza un diagrama de cálculo tensión deformación de la fábrica de tipo bilineal (acorde con el CTE DB SE-F) cuya simplicidad facilita el desarrollo de toda la formulación al tiempo que resulta adecuado para predecir la capacidad resistente a flexión tanto para fallos debidos al refuerzo como a la fábrica. Además se limita la deformación de cálculo del refuerzo teniendo en consideración ciertos aspectos que provocan que la lámina adherida no pueda desarrollar toda su resistencia, como el desprendimiento inducido por fisuras en el interior del elemento o el deterioro medioambiental. En concreto, se propone un “coeficiente reductor por adherencia” que se determina a partir de una base de datos con 68 resultados experimentales procedentes de publicaciones de varios autores y de los ensayos propios de la campaña descrita en el punto IV.2. También se revisa la formulación propuesta con ayuda de la base de datos. En el capítulo VII se estudia la incidencia de las principales variables, como el axil, la deformación de cálculo del refuerzo o su rigidez, en la capacidad final del elemento. Las conclusiones del trabajo realizado y las posibles líneas futuras de investigación se exponen en el capítulo VIII. ABSTRACT Strengthening of existing structures with externally bonded fiber reinforced polymers (FRP) has become the most common application of advanced composite materials in construction. These materials exhibit many advantages in comparison with traditional ones (corrosion resistance, light weight, easy to apply, etc.). But despite countless researches have been done, there are still doubts about some aspects of their behaviour and applications are carried out only with the help of guidelines, without official regulations. The aim of this work is to improve the knowledge on this retrofitting technique, particularly in regard to flexural strengthening of masonry structures. Reinforced concrete is often the strengthened material and external glued FRP plates are used to improve its flexural, shear or compressive (by wrapping) capacity. However the use of this technique on other materials like masonry structures looks promising. Unreinforced masonry is characterized for being a good material to support compressive stresses but really bad to withstand tensile ones. Glue composite plates can improve the flexural capacity of masonry elements subject to bending. But a proper bond between FRP sheet and masonry must be ensured to do that, especially in old buildings whose surface can be damaged due to being outside or ageing. The main objectives of the work and the methodology carried out are described In Chapter II. An extensive overview of the state of art is done in Chapter III. In Section III.1 physical and mechanical properties of fibers, matrix and composites and their main applications are related. Durability aspects are especially emphasized. Section III.2 includes an historical overview of theoretical and empirical researches on concrete structures strengthened gluing FRP plates to improve their flexural behaviour. Section III.3 focuses on the critical point of bonding between FRP and substrate. Some theoretical models to prevent debonding of FRP laminate are reviewed, it has made a distinction between models for detachment at the end of the plate or debonding in the intermediate zones due to the effects of cracks. It is observed a lack of agreement in the proposals. Some experimental studies on bonding between masonry and FRP are also related in this chapter. The particular characteristics of masonry structures are analyzed in Section III.4. Besides some empirical and theoretical investigations relative to improve their flexural capacity with FRP sheets are reviewed. The mechanical behaviour of strengthened walls subject to pure bending (without compression) has been established by several authors, but this is an unusual situation for real masonry. Neither mechanical behaviour of walls subject to bending and compression nor influence of axial load in the final capacity of the strengthened element are adequately studied. In regard to theoretical studies, the different proposals are based on reinforced concrete analytical methods and share common design principles. However, they present differences, especially, about three aspects: 1) the constitutive law of masonry, 2) the value of ultimate FRP strain and 3) the desirable failure mode that must be looked for. In spite of them, a good agreement between each experimental program and its theoretical study is often exhibited due to enormous disparity in considered test parameters. Each experimental program usually presents a characteristic failure mode and the proposed formulation results appropriate for this one. It seems necessary to develop a method for FRP strengthened walls subject to bending and compression enable for all failure modes (due to FRP or masonry). Some common damages in masonry subject to bending are explained in Section III.4. Examples of FRP strengthening to repair or prevent these damages are also written. Two small experimental programs are carried out in Eduardo Torroja Institute to improve the knowledge on this topic. The first one is concerned about the bond between FRP plates and damaged masonry (section IV.1) and the second one is related to the mechanical behaviour of the strengthened masonry specimens subject to out of plane bending combined with axial force (section IV.2). In the Chapter V some bond models to prevent the debonding at the FRP plate end are checked. It is confirmed that their predictions are so different. A pure-shear test database is compiled with results from the existing literature and others from the experimental program described in section IV.1. This database lets know which of the considered model is more suitable to design anchorage lengths of glued FRP to masonry. In the Chapter VI a method to check unreinforced masonry sections with external FRP strengthening subject to bending and compression to the ultimate limit state is proposed. This method is based on concrete reinforced one, but it is adapted to strengthened masonry. A bilinear constitutive law is used for masonry (according to CTE DB SE-F). Its simplicity helps to develop the model formulation and it has proven to be suitable to predict bending capacity either for FRP failures or masonry crushing. With regard to FRP, the design strain is limited. It is taken into account different aspects which cause the plate can’t reach its ultimate strength, like intermediate FRP debonding induced by opening cracking or environmental damage. A “bond factor” is proposed. It is obtained by means of an experimental bending test database that includes 68 results from the existing literature and from the experimental program described in section IV.2. The proposed formulation has also been checked with the help of bending database. The effects of the main parameters, like axial load, FRP design effective strain or FRP stiffness, on the bending capacity of the strengthened element are studied in Chapter VII. Finally, the main conclusions from the work carried out are summarized in Chapter VIII. Future lines of research to be explored are suggested as well.

Data-driven and data-oriented methods for materials science and technologies

The discovery of new materials and their functions has always been a fundamental component of technological progress. Nowadays, the quest for new materials is stronger than ever: sustainability, medicine, robotics and electronics are all key assets which depend on the ability to create specifically tailored materials. However, designing materials with desired properties is a difficult task, and the complexity of the discipline makes it difficult to identify general criteria. While scientists developed a set of best practices (often based on experience and expertise), this is still a trial-and-error process. This becomes even more complex when dealing with advanced functional materials. Their properties depend on structural and morphological features, which in turn depend on fabrication procedures and environment, and subtle alterations leads to dramatically different results. Because of this, materials modeling and design is one of the most prolific research fields. Many techniques and instruments are continuously developed to enable new possibilities, both in the experimental and computational realms. Scientists strive to enforce cutting-edge technologies in order to make progress. However, the field is strongly affected by unorganized file management, proliferation of custom data formats and storage procedures, both in experimental and computational research. Results are difficult to find, interpret and re-use, and a huge amount of time is spent interpreting and re-organizing data. This also strongly limit the application of data-driven and machine learning techniques. This work introduces possible solutions to the problems described above. Specifically, it talks about developing features for specific classes of advanced materials and use them to train machine learning models and accelerate computational predictions for molecular compounds; developing method for organizing non homogeneous materials data; automate the process of using devices simulations to train machine learning models; dealing with scattered experimental data and use them to discover new patterns.

Design and Characterization of Novel Wear Resistant Multilayer CVD Coatings with Improved Adhesion Between Al(2)O(3) and Ti(C,N)

Multilayer CVD coatings for high speed cutting applications were designed to achieve high wear and heat resistance during machining of steel alloys. In this work the microstructure and cutting performance of these novel multilayer CVD coatings are investigated and compared with standard CVD multilayer coatings. 3D-FIB tomography is used to characterize the microstructure of the layers, especially the transition between the Ti(C,N) and the Al(2)O(3) layer. The 3D reconstruction of the surface of the Ti(C,N) layer shows the formation of protruded Ti(C,N) grains with a very particular architecture, which penetrate into the Al(2)O(3) top-layer, providing a mechanical anchoring between both layers. Cemented carbides coated with the novel CVD multilayer present reduced crater and flank wear as well as improved adherence between the Al(2)O(3) top-layer and the Ti(C,N) layer leading to a dramatic improvement of cutting performance.

Sensors for the detection and quantification of bacterial contamination in water for human use

The deterioration of water quality by Cyanobacteria cause outbreaks and epidemics associated with harmful diseases in Humans and animals because of the toxins that they release. Microcystin-LR is one of the hepatotoxins most widely studied and the World Health Organization, recommend a maximum value of 1mgL 1 in drinking water. Highly specific recognition molecules, such as molecular imprinted polymers are developed to quantify microcystins in waters for human use and shown to be of great potential in the analysis of these kinds of samples. The obtained results were auspicious, the detection limit found, 1.5mgL 1, being of the same order of magnitude as the guideline limit recommended by the WHO. This technology is very promising because the sensors are stable and specific, and the technology is inexpensive and allows for rapid on-site monitoring.