Computational Modelling and Simulation of Building Materials

A special issue of Mathematics (ISSN 2227-7390). This special issue belongs to the section "Computational and Applied Mathematics".

Deadline for manuscript submissions: 31 October 2024 | Viewed by 2086

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Guest Editor
Department of Materials Engineering, TUM School of Engineering and Design, Technical University of Munich, 81245 Munich, Germany
Interests: model-based material characterization and design; analytical and computational modeling of structure-property relations (stiffness, diffusivity, conductivity, permeability); biomaterials; cementitous materials; geomaterials
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Special Issue Information

Dear Colleagues,

The field of building materials engineering is currently undergoing a revolution. The possibility to design, predict the properties, and even manufacture materials, not only with the help of experiments, but also with computational modelling and simulation techniques, is a significant breakthrough that has accelerated the development of cost-effective and sustainable infrastructure.  Despite the recent advances in computational algorithms and mathematical models used to describe material behaviour in general, there are still large knowledge gaps with regard to accurate and robust methods for modelling and simulation of the behaviour of building materials. Even concrete, the most common building material, is a highly heterogeneous material whose properties in the fresh and hardened state are governed by chemical and physical properties and processes that range over multiple scales (μm–cm) and additionally change with time also over multiple scales (ranging from a few seconds to several years). These attributes pose immense challenges in developing a holistic framework for modelling and simulation of building materials. Nevertheless, several sub-models that account for the essential mechanisms that are relevant to a particular phenomenon under investigation have been developed. Some examples are multiscale analytical and computational models for upscaling the properties of cementitious materials, thermodynamic models for predicting the evolution of phases during hydration of cement, multiscale and multiphase mathematical methods for modelling creep, corrosion, ASR, frost, etc. and models that characterise failure (XFEM, phase-field, microplane). Due to recent developments in machine learning, there is increased activity in the scientific community regarding the development of data-driven methods that tightly integrate experimental data and computational mechanics.

This Special Issue invites contributions from both researchers and practitioners from different disciplines that report recent advancements in the field of computational modelling and simulation of building materials, such as: a) multiscale models for the characterization of building materials (continuum micromechanics and computational multiscale models) that focus on emergent behaviour and understanding the link between small-​scale material characteristics and their macroscopic mechanical properties; b) data-driven methods and mathematical and numerical algorithms for model order reduction; c) modelling of transport and physico-chemo-mechanical processes (creep, shrinkage, chemical dissolution and chemically expansive processes); d) rheological modelling and classification of fresh cementitious composites and concrete; e) simulation of additive manufacturing processes and f) computational methods for damage detection and identification. 

Dr. Jithender J. Timothy
Guest Editor

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Published Papers (2 papers)

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18 pages, 8617 KiB  
Article
Can a Hand-Held 3D Scanner Capture Temperature-Induced Strain of Mortar Samples? Comparison between Experimental Measurements and Numerical Simulations
by Alexander Haynack, Sekandar Zadran, Jithender J. Timothy, Serena Gambarelli, Thomas Kränkel, Charlotte Thiel, Joško Ožbolt and Christoph Gehlen
Mathematics 2023, 11(17), 3672; https://doi.org/10.3390/math11173672 - 25 Aug 2023
Viewed by 655
Abstract
The expected lifespan of cement-based materials, particularly concrete, is at least 50 years. Changes in the pore structure of the material need to be considered due to external influences and associated transport processes. The expansion behaviour of concrete and mortar during freeze–thaw attacks, [...] Read more.
The expected lifespan of cement-based materials, particularly concrete, is at least 50 years. Changes in the pore structure of the material need to be considered due to external influences and associated transport processes. The expansion behaviour of concrete and mortar during freeze–thaw attacks, combined with de-icing salt agents, is crucial for both internal and external damage. It is essential to determine and simulate the expansion behaviour of these materials in the laboratory, as well as detect the slow, long-term expansion in real structures. This study measures the expansion of mortar samples during freeze–thaw loading using a high-resolution hand-held 3D laser scanner. The specimens are prepared with fully or partially saturated pore structures through water storage or drying. During freeze–thaw experiments, the specimens are exposed to pure water or a 3% sodium chloride solution (NaCl). Results show contraction during freezing and subsequent expansion during thawing. Both test solutions exhibit similar expansion behaviour, with differences primarily due to saturation levels. Further investigations are required to explore the changing expansion behaviour caused by increasing microcracking resulting from continuous freeze–thaw cycles. A numerical analysis using a 3D coupled hygro-thermo-mechanical (HTM) model is conducted to examine the freeze–thaw behaviour of the mortar. The model accurately represents the freezing deformation during the freeze–thaw cycle. Full article
(This article belongs to the Special Issue Computational Modelling and Simulation of Building Materials)
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15 pages, 3367 KiB  
Article
Mechanical and Surface Geometric Properties of Reinforcing Bars and Their Significance for the Development of Near-Surface Notch Stresses
by Stefan Rappl, Muhammed Zubair Shahul Hameed, Christian Krempaszky and Kai Osterminski
Mathematics 2023, 11(8), 1910; https://doi.org/10.3390/math11081910 - 18 Apr 2023
Cited by 3 | Viewed by 1079
Abstract
Due to the production process, reinforcing steel bars possess an inhomogeneous microstructure associated with different material properties over the cross-section (e.g., hardness, ductility or strength). Furthermore, the surface required for the bond has a negative effect on the fatigue behavior. The first investigations [...] Read more.
Due to the production process, reinforcing steel bars possess an inhomogeneous microstructure associated with different material properties over the cross-section (e.g., hardness, ductility or strength). Furthermore, the surface required for the bond has a negative effect on the fatigue behavior. The first investigations were carried out in the 1970s and detected the fillet radius r as a key influencing factor. Until now, few studies had been carried out that investigate the quantification of the surface properties on the fatigue behavior, and none of them compared these properties with the local strengths of the material. The current paper presents the first results of a reverse-engineered reinforcing steel bar based on a previously performed laser scanning process. The rebar models were used to calculate the notch stress factors for different diameters based on von Mises stresses taken from FEM simulations. The notch stress factors showed a functional relationship with the fillet radius, which was already shown in the literature. Further experimental investigations on the fatigue and tensile behavior of the structural components in the investigated Tempcore® rebars were carried out on microstructure specimens eroded by WEDM. The results of the tensile tests were used to derive a yield and tensile strength distribution in the cross-section. Depending on the microstructure, a yield strength between 415 N/mm2 (ferrite/pearlite core) and 690 N/mm2 (tempered martensite surface) was found. The acting notch stresses show a logarithmic dependency of the fillet radius, but do not reach the material strength of the surface. Full article
(This article belongs to the Special Issue Computational Modelling and Simulation of Building Materials)
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