13 documents found, page 1 of 2
Deep Learning Approach to the Texture Optimization Problem for Friction Control...
Silva, Alexandre; Lenzi, Veniero; Pyrlin, Sergey; Carvalho, Sandra; Cavaleiro, Albano; Marques, LuísThe possibility to control friction through surface microtexturing can offer invaluable advantages in many fields, from wear and pollution reduction in the transportation industry to improved adhesion and grip. Unfortunately, the texture optimization problem is very hard to solve using traditional experimental and numerical methods, due to the complexity of the texture configuration space. Here, we apply machin...
Deep learning approach to the texture optimization problem for friction control...
Silva, Alexandre Daniel Mendonça Faria; Lenzi, Veniero; Pyrlin, Sergey; Carvalho, S.; Cavaleiro, Albano; Marques, L.The possibility to control friction through surface microtexturing can offer invaluable advantages in many fields, from wear and pollution reduction in the transportation industry to improved adhesion and grip. Unfortunately, the texture optimization problem is very hard to solve using traditional experimental and numerical methods, due to the complexity of the texture configuration space. Here, we apply machin...
Current state and perspectives of simulation and modeling of aliphatic isocyana...
Lenzi, Veniero; Crema, Anna; Pyrlin, Sergey; Marques, L.Aliphatic isocyanates and polyisocyanates are central molecules in the fabrication of polyurethanes, coatings, and adhesives and, due to their excellent mechanical and stability properties, are continuously investigated in advanced applications; however, despite the growing interest in isocyanate-based systems, atomistic simulations on them have been limited by the lack of accurate parametrizations for these mo...
Adhesion of bis-salphen-based coordination polymers to graphene: insights from ...
Pyrlin, Sergey; Lenzi, Veniero; Silva, Alexandre; Ramos, Marta M. D.; Marques, L.Manipulation of nanoscale objects using molecular self-assembly is a potent tool to achieve large scale nanopatterning with small effort. Coordination polymers of bis-salphen compounds based on zinc have demonstrated their ability to align carbon nanotubes into micro-scale networks with an unusual “rings-and-rods” pattern. This paper investigates how the compounds interact with pristine and functionalized graph...
Large-scale synthesis of semiconducting Cu(In,Ga)Se2 nanoparticles for screen p...
Gonçalves, Bruna Ferreira; LaGrow, Alec P.; Pyrlin, Sergey; Owens-Baird, Bryan; Botelho, Gabriela; Marques, L.; Ramos, Marta M. D.; Kovnir, KirillDuring the last few decades, the interest over chalcopyrite and related photovoltaics has been growing due the outstanding structural and electrical properties of the thin-film Cu(In,Ga)Se<sub>2</sub> photoabsorber. More recently, thin film deposition through solution processing has gained increasing attention from the industry, due to the potential low-cost and high-throughput production. To this end, the elim...
Self-assembly of bis-salphen compounds: from semiflexible chains to webs of nan...
Pyrlin, Sergey; Hine, Nicholas D. M.; Kleij, Arjan W.; Ramos, Marta M. D.The recently-observed self-assembly of certain salphen-based compounds into neuron-like networks of microrings interconnected with nano-thin strings may suggest a new highly-potent tool for nanoscale patterning. However, the mechanism behind such phenomena needs to be clarified before they can be applied in materials design. Here we show that, in contrast with what was initially presumed, the emergence of a “ri...
Modelling the physical properties of nanostructures and composites
Pyrlin, SergeyThis thesis investigates the possibility to design novel composite materials by addition of carbon nanotubes to polymer matrix. Despite the extensive research in this field the problem of achieving stable electrical conduction, anticipated by early theoretical studies, still constitutes a significant challenge. One approach to circumvent this problem is apply the recently synthesized tetrakis-Schiff zinccomplex...
Self-assembling tetrakis-Schiff base compounds for CNT reinforced composites: c...
Pyrlin, Sergey; Hine, Nicholas D.M.; Ramos, Marta M. D.; Escárcega-Bobadilla, Marta V.; Zelada-Guillén, Gustavo A.Development of polymer composites by addition of nano-sized inclusions to matrix attracts increasing attention in the last decades as a potential way to prepare functional materials, the properties of which could be fine-tuned by varying the nanoadditives' concentration and alignment inside polymer. Carbon nanotubes (CNTs) and graphene nanoribbons (GNRs) are widely used as highly promising additives when high m...
Multiscale modelling of electron transport in carbon nanotube reinforced compos...
Pyrlin, Sergey; Ramos, Marta M. D.Development of functional composite materials by addition of inorganic inclusions to polymer matrix attracts growing attention in last decades and carbon nanotubes (CNT) attract particular interest as reinforcement material due to their unique properties tunable by doping and functionalization. However such material characteristics depend not only on the concentration and properties of nanoinclusions but also o...
Multiscale modeling of composite structure-property relations : application to ...
Pyrlin, Sergey; Ramos, Marta M. D.Development of functional composite materials by addition of inorganic inclusions to polymer matrix attracts growing attention in last decades. However such material characteristics depend not only on the concentration and properties of nanoinclusions but also on their distribution inside embedding polymer, which complicates prediction and optimization of composite properties. Carbon nanotubes (CNT) attract par...