Special Issue "Modeling of Cementitious Materials and Structures"

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Construction and Building Materials".

Deadline for manuscript submissions: 30 April 2020.

Special Issue Editor

Dr. Neven Ukrainczyk
E-Mail Website1 Website2
Guest Editor
Senior Scientist, Institute of Construction and Building Materials, TU Darmstadt Franziska-Braun-Strasse 3, 64287 Darmstadt, Germany
Interests: sustainable construction and building materials; durability; reactive transport in porous materials; reaction thermodynamics and kinetics of materials; computational analysis; mathematical modeling; functional materials properties

Special Issue Information

Dear Colleagues,

The aim of this Special Issue is to publish papers that advance the field of cementitious materials and structures through the application of diverse mathematical modeling approaches. Proposed models should obtain new or enhanced insights into cementitious material behavior, preferably calibrated and/or validated with new or already published experimental data. The scope includes:

  • Capabilities of mathematical modeling applied to cementitious materials from an engineering and scientific point of view;
  • Predicting cementitious materials’ structure–property relationships;
  • Fresh state rheology;
  • Early-age hydration and hardening development;
  • Long-term (aging) properties.

Cementitious materials and structures can be modeled using different schematization approaches. On one hand, embracing multi-scale heterogeneity effects in mass and heat reactive transport and mechanical phenomena in cementitious materials is only now beginning to be explored. Such a fundamental approach is likely to be a primary focus for the future, where a better understanding of the underlying physical and chemical phenomena could be ontained by considering the multi-scale porous and multi-component nature of concrete composites. On the other hand, homogenized materials models, mostly analytical and sometimes numerical, are being widely used by engineers, and are thus welcomed here as well. 

Contributions are accepted in the form of research articles and critical reviews.

Dr. Neven Ukrainczyk
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 papers will be 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. Materials 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 1800 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.

Keywords

  • Cement hydration
  • Sustainable binders
  • Geopolymers
  • Chemical reaction kinetics
  • Chemical reaction thermodynamics
  • Reactive transport
  • Rheology
  • Durability
  • Degradation mechanisms
  • Mechanical performance

Published Papers (5 papers)

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Research

Open AccessArticle
Relating Ettringite Formation and Rheological Changes during the Initial Cement Hydration: A Comparative Study Applying XRD Analysis, Rheological Measurements and Modeling
Materials 2019, 12(18), 2957; https://doi.org/10.3390/ma12182957 - 12 Sep 2019
Abstract
In order to gain a deeper understanding of the rheological development of hydrating ordinary Portland cement (OPC) pastes at initial state, and to better understand their underlying processes, quantitative X-ray diffraction (XRD) analysis and rheological measurements were conducted and their results combined. The [...] Read more.
In order to gain a deeper understanding of the rheological development of hydrating ordinary Portland cement (OPC) pastes at initial state, and to better understand their underlying processes, quantitative X-ray diffraction (XRD) analysis and rheological measurements were conducted and their results combined. The time-dependent relation between phase development and flow behavior of cement paste was investigated at two different temperatures (20 and 30 °C), over a period of two hours. Regarding the phase development during hydration, ettringite precipitation was identified as the dominant reaction in the first two hours. For both temperatures, the increasing ettringite content turned out to correlate very well with the loss of workability of the reacting cement paste. An exponential relationship between ettringite growth and flow behavior was observed that could be explained by applying the Krieger-Dougherty equation, which describes the influence of solid fraction on the viscosity of a suspension. Full article
(This article belongs to the Special Issue Modeling of Cementitious Materials and Structures)
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Open AccessArticle
Validation and Investigation on the Mechanical Behavior of Concrete Using a Novel 3D Mesoscale Method
Materials 2019, 12(16), 2647; https://doi.org/10.3390/ma12162647 - 20 Aug 2019
Cited by 1
Abstract
The mechanical performance of concrete is strongly influenced by the geometry and properties of its components (namely aggregate, mortar, and Interfacial Transitional Zone (ITZ)) from the mesoscale viewpoint, and analyzing the material at that level should be a powerful tool for understanding macroscopic [...] Read more.
The mechanical performance of concrete is strongly influenced by the geometry and properties of its components (namely aggregate, mortar, and Interfacial Transitional Zone (ITZ)) from the mesoscale viewpoint, and analyzing the material at that level should be a powerful tool for understanding macroscopic behavior. In this paper, a simple and highly efficient method is proposed for constructing realistic mesostructures of concrete. A shrinking process based on 3D Voronoi tessellation was employed to generate aggregates with random polyhedron and grading size, and reversely, an extending procedure was applied for ITZ generation. 3D mesoscale numerical simulation was conducted under a quasi-static load using an implicit solver which demonstrated the good robustness and feasibility of the presented model. The simulated results resembled favorably the corresponding experiments both in stress–strain curves and failure modes. Damage evolution analysis showed that the ITZ phase has profound influence on the damage behavior of concrete as damage initially develops from here and propagates to mortar. In addition, it was found that tensile damage is the principal factor of mortar failure while compressive damage is the principal factor of ITZ failure under compression. Full article
(This article belongs to the Special Issue Modeling of Cementitious Materials and Structures)
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Open AccessArticle
Nonlinear Stress-Strain Model for Confined Well Cement
Materials 2019, 12(16), 2626; https://doi.org/10.3390/ma12162626 - 17 Aug 2019
Abstract
The cement sheath is the key for providing the zonal isolation and integrity of the wellbore. Oil well cement works under confining pressure, so it exhibits strong nonlinear and ductile behavior which is very different from that without confining pressure. Therefore, for the [...] Read more.
The cement sheath is the key for providing the zonal isolation and integrity of the wellbore. Oil well cement works under confining pressure, so it exhibits strong nonlinear and ductile behavior which is very different from that without confining pressure. Therefore, for the accuracy of the simulation and the reliability of well construction design, a reliable compression stress–strain model is essential for confined well cement. In this paper, a new axial stress–strain model for confined well cement is developed based on uniaxial and triaxial test data, examinations of failure mechanisms, and the results of numerical analysis. A parametric study was conducted to evaluate and calibrate the model. The model is simple and suitable for direct use in simulation studies and well design. Results from this study show the nonlinear compressive behavior of confined well cement can be predicted using the traditional uniaxial compressive strength test measurements. Full article
(This article belongs to the Special Issue Modeling of Cementitious Materials and Structures)
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Open AccessArticle
Generalized Softened Variable Angle Truss Model for RC Hollow Beams under Torsion
Materials 2019, 12(13), 2209; https://doi.org/10.3390/ma12132209 - 09 Jul 2019
Abstract
In recent studies, a new softened truss model called Generalized Softened Variable Angle Truss Model (GSVATM) has been proposed to compute the full torsional response of reinforced concrete (RC) rectangular solid beams under pure torsion. In this article, the GSVATM is extended to [...] Read more.
In recent studies, a new softened truss model called Generalized Softened Variable Angle Truss Model (GSVATM) has been proposed to compute the full torsional response of reinforced concrete (RC) rectangular solid beams under pure torsion. In this article, the GSVATM is extended to cover RC hollow beams under torsion. The modification of the calculation procedure, in order to account for the specific behavior of RC hollow beams for low loading levels, as well as the final solution procedure, is presented. The theoretical predictions from the extended GSVATM are compared with experimental results of RC hollow beams under torsion found in the literature. Good agreement is observed between the experimental and theoretical results, for both high and low loading levels. Full article
(This article belongs to the Special Issue Modeling of Cementitious Materials and Structures)
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Open AccessArticle
Reactivity of Different Crystalline Surfaces of C3S During Early Hydration by the Atomistic Approach
Materials 2019, 12(9), 1514; https://doi.org/10.3390/ma12091514 - 09 May 2019
Abstract
Early hydration of tricalcium silicate (C3S) has received great attention over the years due to the increased use of composite cement with a reduced number of clinker phases, especially the addition of what should be very reactive C3S to [...] Read more.
Early hydration of tricalcium silicate (C3S) has received great attention over the years due to the increased use of composite cement with a reduced number of clinker phases, especially the addition of what should be very reactive C3S to guarantee early strength. Although many mechanisms have been proposed, the dissolution of polygonal C3S at the material interface is not yet fully understood. Over the last decade, computational methods have been developed to describe the reaction in the cementitious system. This paper proposes an atomistic insight into the early hydration and the dissolution mechanism of calcium from different crystalline planes of C3S using reactive force field (ReaxFF) combined with metadynamics (metaD). The reactivity and thermodynamic stability of different crystal planes were calculated from the dissolution profile of calcium during hydration at 298 K. The simulation results, clearly describe the higher reactivity of ( 0 1 ¯ 1 ¯ ), (011), (100), and ( 1 ¯ 00 ) surfaces of C3S due to the strong interaction with the water, whereas, the dissolution profile explains the lower reactivity of ( 1 ¯ 1 ¯ 0 ), (110), ( 0 1 ¯ 0 ) and the effect of water tessellation on the (001), (010) planes. Full article
(This article belongs to the Special Issue Modeling of Cementitious Materials and Structures)
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