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Computational Methods of Multi-Physics Problems
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Computational Methods of Multi-Physics Problems

A special issue of Energies (ISSN 1996-1073).

Deadline for manuscript submissions: closed (30 November 2018) | Viewed by 19825

Printed Edition Available!
A printed edition of this Special Issue is available here.

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,

We are inviting submissions to a Special Issue of Energies on the subject area of “Computational Methods for Multi-Physics Problems”. These problems might include hydraulic fracturing, piezoelectricity, flexoelectricity, modeling of energy harvesters or energy storage, or the modeling of batteries to name a few topics. The focus of manuscripts should be on computational modeling or new computational methods for such multi-physics problems. Computational modeling is a powerful tool and is complementary to experimental testing. Topics of interest for publication include, but are not limited to:

  • Computational methods for moving boundary/interface problems;
  • Phase field models;
  • Meshfree and isogeometric formulations;
  • Multiscale methods;
  • Uncertainty analysis and uncertainty quantification;
  • Verification and Validation;
  • Optimization;
  • Machine Learning approaches;
  • Prediction of material properties;
  • Nano-scale modeling (MD, DFT, etc.).

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. Energies is an international peer-reviewed open access semimonthly 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 (5 papers)

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Research

28 pages, 2493 KiB  
Article
Crack Patterns in Heterogenous Rocks Using a Combined Phase Field-Cohesive Interface Modeling Approach: A Numerical Study
by José Reinoso, Percy Durand, Pattabhi Ramaiah Budarapu and Marco Paggi
Energies 2019, 12(6), 965; https://doi.org/10.3390/en12060965 - 13 Mar 2019
Cited by 18 | Viewed by 3846
Abstract
Rock fracture in geo-materials is a complex phenomenon due to its intrinsic characteristics and the potential external loading conditions. As a result, these materials can experience intricate fracture patterns endowing various cracking phenomena such as: branching, coalescence, shielding, and amplification, among many others. [...] Read more.
Rock fracture in geo-materials is a complex phenomenon due to its intrinsic characteristics and the potential external loading conditions. As a result, these materials can experience intricate fracture patterns endowing various cracking phenomena such as: branching, coalescence, shielding, and amplification, among many others. In this article, we present a numerical investigation concerning the applicability of an original bulk-interface fracture simulation technique to trigger such phenomena within the context of the phase field approach for fracture. In particular, the prediction of failure patterns in heterogenous rock masses with brittle response is accomplished through the current methodology by combining the phase field approach for intact rock failure and the cohesive interface-like modeling approach for its application in joint fracture. Predictions from the present technique are first validated against Brazilian test results, which were developed using alternative phase field methods, and with respect to specimens subjected to different loading case and whose corresponding definitions are characterized by the presence of single and multiple flaws. Subsequently, the numerical study is extended to the analysis of heterogeneous rock masses including joints that separate different potential lithologies, leading to tortuous crack paths, which are observed in many practical situations. Full article
(This article belongs to the Special Issue Computational Methods of Multi-Physics Problems)
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18 pages, 1468 KiB  
Article
Characterizing Flexoelectricity in Composite Material Using the Element-Free Galerkin Method
by Bo He, Brahmanandam Javvaji and Xiaoying Zhuang
Energies 2019, 12(2), 271; https://doi.org/10.3390/en12020271 - 16 Jan 2019
Cited by 17 | Viewed by 3632
Abstract
This study employs the Element-Free Galerkin method (EFG) to characterize flexoelectricity in a composite material. The presence of the strain gradient term in the Partial Differential Equations (PDEs) requires C 1 continuity to describe the electromechanical coupling. The use of quartic weight functions [...] Read more.
This study employs the Element-Free Galerkin method (EFG) to characterize flexoelectricity in a composite material. The presence of the strain gradient term in the Partial Differential Equations (PDEs) requires C 1 continuity to describe the electromechanical coupling. The use of quartic weight functions in the developed model fulfills this prerequisite. We report the generation of electric polarization in a non-piezoelectric composite material through the inclusion-induced strain gradient field. The level set technique associated with the model supervises the weak discontinuity between the inclusion and matrix. The increased area ratio between the inclusion and matrix is found to improve the conversion of mechanical energy to electrical energy. The electromechanical coupling is enhanced when using softer materials for the embedding inclusions. Full article
(This article belongs to the Special Issue Computational Methods of Multi-Physics Problems)
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10 pages, 2886 KiB  
Article
Boron Monochalcogenides; Stable and Strong Two-Dimensional Wide Band-Gap Semiconductors
by Bohayra Mortazavi and Timon Rabczuk
Energies 2018, 11(6), 1573; https://doi.org/10.3390/en11061573 - 15 Jun 2018
Cited by 33 | Viewed by 3849
Abstract
In this short communication, we conducted first-principles calculations to explore the stability of boron monochalcogenides (BX, X = S, Se or Te), as a new class of two-dimensional (2D) materials. We predicted BX monolayers with two different atomic stacking sequences of ABBA and [...] Read more.
In this short communication, we conducted first-principles calculations to explore the stability of boron monochalcogenides (BX, X = S, Se or Te), as a new class of two-dimensional (2D) materials. We predicted BX monolayers with two different atomic stacking sequences of ABBA and ABBC, referred in this work to 2H and 1T, respectively. Analysis of phonon dispersions confirm the dynamical stability of BX nanosheets with both 2H and 1T atomic lattices. Ab initio molecular dynamics simulations reveal the outstanding thermal stability of all predicted monolayers at high temperatures over 1500 K. BX structures were found to exhibit high elastic modulus and tensile strengths. It was found that BS and BTe nanosheets can show high stretchability, comparable to that of graphene. It was found that all predicted monolayers exhibit semiconducting electronic character, in which 2H structures present lower band gaps as compared with 1T lattices. The band-gap values were found to decrease from BS to BTe. According to the HSE06 results, 1T-BS and 2H-BTe show, respectively, the maximum (4.0 eV) and minimum (2.06 eV) electronic band gaps. This investigation introduces boron monochalcogenides as a class of 2D semiconductors with remarkable thermal, dynamical, and mechanical stability. Full article
(This article belongs to the Special Issue Computational Methods of Multi-Physics Problems)
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14 pages, 5062 KiB  
Article
Thermal Conductance along Hexagonal Boron Nitride and Graphene Grain Boundaries
by Timon Rabczuk, Mohammad Reza Azadi Kakavand, Raahul Palanivel Uma, Ali Hossein Nezhad Shirazi and Meysam Makaremi
Energies 2018, 11(6), 1553; https://doi.org/10.3390/en11061553 - 14 Jun 2018
Cited by 5 | Viewed by 4145
Abstract
We carried out molecular dynamics simulations at various temperatures to predict the thermal conductivity and the thermal conductance of graphene and hexagonal boron-nitride (h-BN) thin films. Therefore, several models with six different grain boundary configurations ranging from 33–140 nm in length were generated. [...] Read more.
We carried out molecular dynamics simulations at various temperatures to predict the thermal conductivity and the thermal conductance of graphene and hexagonal boron-nitride (h-BN) thin films. Therefore, several models with six different grain boundary configurations ranging from 33–140 nm in length were generated. We compared our predicted thermal conductivity of pristine graphene and h-BN with previously conducted experimental data and obtained good agreement. Finally, we computed the thermal conductance of graphene and h-BN sheets for six different grain boundary configurations, five sheet lengths ranging from 33 to 140 nm and three temperatures (i.e., 300 K, 500 K and 700 K). The results show that the thermal conductance remains nearly constant with varying length and temperature for each grain boundary. Full article
(This article belongs to the Special Issue Computational Methods of Multi-Physics Problems)
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22 pages, 20426 KiB  
Article
Three-Dimensional Peridynamic Model for Predicting Fracture Evolution during the Lithiation Process
by Hanlin Wang, Erkan Oterkus and Selda Oterkus
Energies 2018, 11(6), 1461; https://doi.org/10.3390/en11061461 - 05 Jun 2018
Cited by 22 | Viewed by 3480
Abstract
Due to its large electric capacity, silicon has become one of the most promising electrode materials for lithium ion batteries. However, silicon undergoes large volumetric expansion and material stiffness reduction during the charging process. This can lead to fracture and failure of lithium-ion [...] Read more.
Due to its large electric capacity, silicon has become one of the most promising electrode materials for lithium ion batteries. However, silicon undergoes large volumetric expansion and material stiffness reduction during the charging process. This can lead to fracture and failure of lithium-ion batteries. Damage formation and evolution inside the electrode are influenced by the lithium ion concentration and electrode material. High stress gradients induced by heterogeneous deformation can lead to massive migration of lithium ions towards high geometrical singularity regions, such as crack edge regions, which increases the lithium ion concentration. Fully coupled mechanical diffusion equations are important in describing the mechanics of this problem. In this study, the three-dimensional peridynamic theory is presented to solve the coupled field problem. In addition, the newly developed peridynamic differential operator concept is utilized to convert partial differential equations into peridynamic form for the diffusion equation. Spherical and cylindrical shaped energy storage structures with different pre-existing penny-shaped cracks are considered to demonstrate the capability of the developed framework. It is shown that peridynamic theory is a suitable tool for predicting crack evolution during the lithiation process. Full article
(This article belongs to the Special Issue Computational Methods of Multi-Physics Problems)
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