Multiscale Bone Remodelling with Spatial P Systems

Many biological phenomena are inherently multiscale, i.e. they are characterized by interactions involving different spatial and temporal scales simultaneously. Though several approaches have been proposed to provide "multilayer" models, only Complex Automata, derived from Cellular Automata, naturally embed spatial information and realize multiscaling with well-established inter-scale integration schemas. Spatial P systems, a variant of P systems in which a more geometric concept of space has been added, have several characteristics in common with Cellular Automata. We propose such a formalism as a basis to rephrase the Complex Automata multiscaling approach and, in this perspective, provide a 2-scale Spatial P system describing bone remodelling. The proposed model not only results to be highly faithful and expressive in a multiscale scenario, but also highlights the need of a deep and formal expressiveness study involving Complex Automata, Spatial P systems and other promising multiscale approaches, such as our shape-based one already resulted to be highly faithful.Comment: In Proceedings MeCBIC 2010, arXiv:1011.005

Diffusion of active ingredients in textiles: a three step multiscale model

Most practical textile models are based on a two scale approach: a one-dimensional fiber model and a fabric model. No meso-level is used in between, i.e. the yarn scale is neglected in this setup. For dense textile substrates this seems appropriate as the yarns connect everywhere, but for loose fabrics or scrims this approach cannot be kept. Specifically when one is interested in tracking an active component released by the fibers, the yarn level plays an important role. This is because the saturation vapor pressure will influence the release rate from the fibers, and its value will vary over the yarn cross-section. Therefore, in this work we present a three step multiscale model: the active component is tracked in the fiber, the yarn, and finally at the fabric level. At the fiber level a one-dimensional reduction to a non-linear diffusion equation is performed, and solved on a as needed basis. At the yarn level both a two-dimensional or a one-dimensional model can be applied, and finally the yarn result is upscaled to the fabric level

Mini-Workshop: Multiscale Modeling in Epitaxial Growth

[no abstract available

Off-lattice Kinetic Monte Carlo simulations of strained heteroepitaxial growth

An off-lattice, continuous space Kinetic Monte Carlo (KMC) algorithm is discussed and applied in the investigation of strained heteroepitaxial crystal growth. As a starting point, we study a simplifying (1+1)-dimensional situation with inter-atomic interactions given by simple pair-potentials. The model exhibits the appearance of strain-induced misfit dislocations at a characteristic film thickness. In our simulations we observe a power law dependence of this critical thickness on the lattice misfit, which is in agreement with experimental results for semiconductor compounds. We furthermore investigate the emergence of strain induced multilayer islands or "Dots" upon an adsorbate wetting layer in the so-called Stranski-Krastanov (SK) growth mode. At a characteristic kinetic film thickness, a transition from monolayer to multilayer islands occurs. We discuss the microscopic causes of the SK-transition and its dependence on the model parameters, i.e. lattice misfit, growth rate, and substrate temperature.Comment: 17 pages, 6 figures Invited talk presented at the MFO Workshop "Multiscale modeling in epitaxial growth" (Oberwolfach, Jan. 2004). Proceedings to be published in "International Series in Numerical Mathematics" (Birkhaeuser

A critical review on the numerical simulation related to Physical Vapour Deposition

Physical Vapour Deposition (PVD) is a process usually used for the production of advanced coatings regarding its application in several industrial and current products, such as optical lens, moulds and dies, decorative parts or tools. This process has several variants due to its strong evolution along the last decades. The process is commonly assisted by plasma, creating a particular low pressure and medium temperature atmosphere, which is responsible for the transition of atomic particles between the target and the parts to be coated into a vacuum reactor. Several parameters are directly affecting the deposition, namely the substrate temperature, pressure inside the reactor, assisting gases used, type of current, power supply, bias, substrate and target materials, samples holder and corresponding rotation, deposition time, among others. Many mathematical models have been developed in order to allow the generation of numerical simulation applications, trying to combine parameters and expect the corresponding results. Numerical simulation applications were created around the mathematical models previously developed, which can play an important role in the prediction of the coating properties and structure. This paper intends to describe the numerical simulation evolution in the last years, namely the use of Finite Elements Method (FEM) and Computational Fluid Dynamics (CFD).LAETA/CETRIB/INEGI Research Center- FLAD – Fundação Luso-Americana para o Desenvolvimento | Ref. 116/2018Fundação para a Ciência e a Tecnologia | Ref. UID/EMS/0615/201

A critical review on the numerical simulation related to Physical Vapour Deposition

Physical Vapour Deposition (PVD) is a process usually used for the production of advanced coatings regarding its application in several industrial and current products, such as optical lens, moulds and dies, decorative parts or tools. This process has several variants due to its strong evolution along the last decades. The process is commonly assisted by plasma, creating a particular low pressure and medium temperature atmosphere, which is responsible for the transition of atomic particles between the target and the parts to be coated into a vacuum reactor. Several parameters are directly affecting the deposition, namely the substrate temperature, pressure inside the reactor, assisting gases used, type of current, power supply, bias, substrate and target materials, samples holder and corresponding rotation, deposition time, among others. Many mathematical models have been developed in order to allow the generation of numerical simulation applications, trying to combine parameters and expect the corresponding results. Numerical simulation applications were created around the mathematical models previously developed, which can play an important role in the prediction of the coating properties and structure. This paper intends to describe the numerical simulation evolution in the last years, namely the use of Finite Elements Method (FEM) and Computational Fluid Dynamics (CFD).info:eu-repo/semantics/publishedVersio

Predictive and prognostic modelling and simulation of coating failures due to corrosion and mechanical failures

This research presents analytical and mathematical modelling of coating failures within industrial components, structures, mobile assets and systems due to corrosive degradation and mechanical fracture. These failures lead to serval surface problems, therefore contact mechanics and electrochemistry approaches incorporating induced residual stresses have been adopted to develop a comprehensive solution for the prediction prognostic of such failures. Experimental study of film cracking and its propagation into substrates, interfacial transient behaviours and film-substrate system has been conducted. A parallel study of corrosive degradation to include cathodic delamination, cathodic blistering and tribo-corrosion of films has been conducted. Experimental and analytical studies of induced residual stresses within the coating and their effects on failure mechanisms and propagation have been completed. A detailed investigation of elastic mismatch at the interfacial contact and interfacial crack tip field has been performed and a complex stress intensity factor is presented. Mathematical derivation of oscillatory singularity, mode mix and interfacial fracture criterion to include adhesion are presented. This paper presents novel mathematical modelling incorporating interfacial crack propagating, diffusion of corrosive species and cathodic blistering for prediction and prognoses of coating failures

White paper on the future of plasma science and technology in plastics and textiles

This is the peer reviewed version of the following article: “Uros, C., Walsh, J., Cernák, M., Labay, C., Canal, J.M., Canal, C. (2019) White paper on the future of plasma science and technology in plastics and textiles. Plasma processes and polymers, 16 1 which has been published in final form at [doi: 10.1002/ppap.201700228]. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving."This white paper considers the future of plasma science and technology related to the manufacturing and modifications of plastics and textiles, summarizing existing efforts and the current state‐of‐art for major topics related to plasma processing techniques. It draws on the frontier of plasma technologies in order to see beyond and identify the grand challenges which we face in the following 5–10 years. To progress and move the frontier forward, the paper highlights the major enabling technologies and topics related to the design of surfaces, coatings and materials with non‐equilibrium plasmas. The aim is to progress the field of plastics and textile production using advanced plasma processing as the key enabling technology which is environmentally friendly, cost efficient, and offers high‐speed processingPeer ReviewedPostprint (author's final draft

The critical raw materials in cutting tools for machining applications: a review

A variety of cutting tool materials are used for the contact mode mechanical machining of components under extreme conditions of stress, temperature and/or corrosion, including operations such as drilling, milling turning and so on. These demanding conditions impose a seriously high strain rate (an order of magnitude higher than forming), and this limits the useful life of cutting tools, especially single-point cutting tools. Tungsten carbide is the most popularly used cutting tool material, and unfortunately its main ingredients of W and Co are at high risk in terms of material supply and are listed among critical raw materials (CRMs) for EU, for which sustainable use should be addressed. This paper highlights the evolution and the trend of use of CRMs) in cutting tools for mechanical machining through a timely review. The focus of this review and its motivation was driven by the four following themes: (i) the discussion of newly emerging hybrid machining processes offering performance enhancements and longevity in terms of tool life (laser and cryogenic incorporation); (ii) the development and synthesis of new CRM substitutes to minimise the use of tungsten; (iii) the improvement of the recycling of worn tools; and (iv) the accelerated use of modelling and simulation to design long-lasting tools in the Industry-4.0 framework, circular economy and cyber secure manufacturing. It may be noted that the scope of this paper is not to represent a completely exhaustive document concerning cutting tools for mechanical processing, but to raise awareness and pave the way for innovative thinking on the use of critical materials in mechanical processing tools with the aim of developing smart, timely control strategies and mitigation measures to suppress the use of CRMs