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Coatings
Special Issues
Modelling and Simulation of Coating 2019
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Modelling and Simulation of Coating 2019

A special issue of Coatings (ISSN 2079-6412).

Deadline for manuscript submissions: closed (31 December 2019) | Viewed by 14920

Special Issue Editor

Prof. Dr. Timon Rabczuk

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Guest Editor
Institute of Structural Mechanics, Bauhaus-Universität Weimar, Weimar, Thuringia, Germany
Interests: discontinuity; machine learning; multiscale modelling; isogeometric analysis
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Modelling and simulation has become a key tool in engineering and materials science. It complements experimental testing and also has the potential to study and identify physical phenomena that cannot be detected experimentally. It has been successfully used to support the design and optimization of new materials and structures. This Special Issue is devoted to computational modeling of coating. In addition, manuscripts on innovative computational methods, which have the potential to be applied to coating or coating materials, can be submitted to this Special Issue. They include approaches ranging from quantum mechanics and molecular dynamics, coarse-grained models, and Monte-Carlo simulations up to classical continuum-based approaches, based on finite element methods or isogeometric analyses. Manuscript covering the following topics are particularly welcome:

  • Computational methods for moving boundary problems, including fracture, delamination, fluid structure interaction, multi-phase fluid flow, and/or their application to modeling coating;
  • Computational modelling of interface problems;
  • Nano-scale modeling of coatings, including QM, MD, UA-MD, CG-MD;
  • Multiscale methods and their applications to coatings;
  • Optimization and uncertainty analysis;
  • Multiphysics modeling of coatings;
  • Phase field models;
  • Computational methods for identification and characterization; this includes also machine learning approaches.

Prof. Dr. Timon Rabczuk
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Coatings is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Published Papers (4 papers)

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Research

14 pages, 4400 KiB  
Article
Numerical Study on the Optimization of Roll-to-Roll Ultraviolet Imprint Lithography
by Usama Tahir, Muhammad Ahmad Kamran and Myung Yung Jeong
Coatings 2019, 9(9), 573; https://0-doi-org.brum.beds.ac.uk/10.3390/coatings9090573 - 08 Sep 2019
Cited by 8 | Viewed by 3276
Abstract
Roll-to-roll ultraviolet (R2R-UV) imprinting is a low-cost and high-throughput method that includes the manufacturing of large-area functional films. However, the quality of the final product is obstructed by the bubble entrapment during the imprinting process. In this study, a multi-phase volume of fluid [...] Read more.
Roll-to-roll ultraviolet (R2R-UV) imprinting is a low-cost and high-throughput method that includes the manufacturing of large-area functional films. However, the quality of the final product is obstructed by the bubble entrapment during the imprinting process. In this study, a multi-phase volume of fluid (VOF) numerical model was used to remove bubble entrapment during the R2R imprinting process, which covered all parameters. This new modified numerical model with open-channel boundary conditions was based on the single zone that contains the direct contact of UV resin with the imprinting mold during the filling process. In addition, this model simulated the UV resin filling into microcavities at the preceding and succeeding ends of the imprinting mold. Different patterns of imprinting mold were considered to enhance the fidelity of R2R-UV imprinting for the comprehensive analysis. The experimental results validated through numerical simulations revealed that the bubble entrapment can be controlled by varying various parameters such as speed of the imprinting system, viscosity, contact angles, and pattern shape. The proposed model may be useful for a continuous bubble-free R2R imprinting process in industrial applications that includes flexible displays and micro/nano-optics. Full article
(This article belongs to the Special Issue Modelling and Simulation of Coating 2019)
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8 pages, 1666 KiB  
Article
Ripple Formation during Oblique Angle Etching
by Mehmet F. Cansizoglu, Mesut Yurukcu and Tansel Karabacak
Coatings 2019, 9(4), 272; https://0-doi-org.brum.beds.ac.uk/10.3390/coatings9040272 - 22 Apr 2019
Viewed by 3284
Abstract
Chemical removal of materials from the surface is a fundamental step in micro- and nano-fabrication processes. In conventional plasma etching, etchant molecules are non-directional and perform a uniform etching over the surface. However, using a highly directional obliquely incident beam of etching agent, [...] Read more.
Chemical removal of materials from the surface is a fundamental step in micro- and nano-fabrication processes. In conventional plasma etching, etchant molecules are non-directional and perform a uniform etching over the surface. However, using a highly directional obliquely incident beam of etching agent, it can be possible to engineer surfaces in the micro- or nano- scales. Surfaces can be patterned with periodic morphologies like ripples and mounds by controlling parameters including the incidence angle with the surface and sticking coefficient of etching particles. In this study, the dynamic evolution of a rippled morphology has been investigated during oblique angle etching (OAE) using Monte Carlo simulations. Fourier space and roughness analysis were performed on the resulting simulated surfaces. The ripple formation was observed to originate from re-emission and shadowing effects during OAE. Our results show that the ripple wavelength and root-mean-square roughness evolved at a more stable rate with accompanying quasi-periodic ripple formation at higher etching angles (θ > 60°) and at sticking coefficient values (Sc) 0.5 ≤ Sc ≤ 1. On the other hand, smaller etching angle (θ < 60°) and lower sticking coefficient values lead to a rapid formation of wider and deeper ripples. This result of this study can be helpful to develop new surface patterning techniques by etching. Full article
(This article belongs to the Special Issue Modelling and Simulation of Coating 2019)
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19 pages, 2991 KiB  
Article
Fracture Mechanics Solutions for Interfacial Cracks between Compressible Thin Layers and Substrates
by Roberta Massabò, Konstantin Ustinov, Luca Barbieri and Christian Berggreen
Coatings 2019, 9(3), 152; https://0-doi-org.brum.beds.ac.uk/10.3390/coatings9030152 - 26 Feb 2019
Cited by 15 | Viewed by 4150
Abstract
The decohesion of coatings, thin films, or layers used to protect or strengthen technological and structural components causes the loss of their functions. In this paper, analytical, computational, and semi-analytical 2D solutions are derived for the energy release rate and mode-mixity phase angle [...] Read more.
The decohesion of coatings, thin films, or layers used to protect or strengthen technological and structural components causes the loss of their functions. In this paper, analytical, computational, and semi-analytical 2D solutions are derived for the energy release rate and mode-mixity phase angle of an edge-delamination crack between a thin layer and an infinitely deep substrate. The thin layer is subjected to general edge loading: axial and shear forces and bending moment. The solutions are presented in terms of elementary crack tip loads and apply to a wide range of material combinations, with a large mismatch of the elastic constants (isotropic materials with Dundurs’ parameters − 1 ≤ α ≤ 1 and − 0.4 ≤ β ≤ 0.4 ). Results show that for stiff layers over soft substrates ( α → 1 ), the effects of material compressibility are weak, and the assumption of substrate incompressibility is accurate; for other combinations, including soft layers over stiff substrates ( α → − 1 ), the effects may be relevant and problem specific. The solutions are applicable to edge- and buckling-delamination of thin layers bonded to thick substrates, to mixed-mode fracture characterization test methods, and as benchmark cases. Full article
(This article belongs to the Special Issue Modelling and Simulation of Coating 2019)
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18 pages, 3384 KiB  
Article
Stress-Affected Lithiation Reactions in Elasto-Viscoplastic Si Particles with Hyperelastic Polymer Coatings: A Nonlinear Chemo-Mechanical Finite-Element Study
by Philip Lippmann, Michael Poluektov and Łukasz Figiel
Coatings 2018, 8(12), 455; https://0-doi-org.brum.beds.ac.uk/10.3390/coatings8120455 - 08 Dec 2018
Cited by 2 | Viewed by 3550
Abstract
Stress-affected two-phase lithiation reactions in spherical elasto-viscoplastic Si particles for Li-ion batteries are studied here to determine the effects of a hyperelastic polymer coating on particle stresses, reaction front velocity, and degree of lithiation. The problem is modelled using finite-strain chemo-mechanical equations that [...] Read more.
Stress-affected two-phase lithiation reactions in spherical elasto-viscoplastic Si particles for Li-ion batteries are studied here to determine the effects of a hyperelastic polymer coating on particle stresses, reaction front velocity, and degree of lithiation. The problem is modelled using finite-strain chemo-mechanical equations that couple stress, with Li-ion diffusion and reaction front velocity, and are solved using the finite-element (FE) approach, taking advantage of spherical symmetry of the problem. FE simulations and the sensitivity analysis reveal: (1) coating thickness is the most influential design parameter that affects the velocity of the reaction front, and (2) increasing values of the coating shear and bulk moduli, and the coating thickness reduce tensile circumferential stresses at the edge of the particle. The latter minimises the risk of particle cracking in the opening mode, but it can also accelerate the arrest of the reaction front, and thus reduce the particle lithiation degree in Li-ion battery anodes. Full article
(This article belongs to the Special Issue Modelling and Simulation of Coating 2019)
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