Self-Consistent Channel Approach for Upscaling Chloride Diffusivity in Cement Pastes

Damrongwiriyanupap, Nattapong; Scheiner, Stefan; Pichler, Bernhard; Hellmich, Christian

doi:10.1007/s11242-017-0867-3

Cited by 25 publications

(17 citation statements)

References 82 publications

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“…Comparing the such obtained results to corresponding experimental data, collected, e.g., from perfusion-weighted MRI, would allow for experimental validation of the model. Notably, using a model which is conceptually similar to the one presented in this paper [47], even diffusion tests could be simulated, allowing for further validation of the model representation of bone tissue.…”

Section: Discussionmentioning

confidence: 99%

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Multiscale Modeling Provides Differentiated Insights to Fluid Flow-Driven Stimulation of Bone Cellular Activities

Estermann

Scheiner

2018

Front. Phys.

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Both the shape of bone organs and the micro-architecture of bone tissue are significantly influenced by the prevailing mechanical loading. In this context, several of the most striking and hence also most debated issues relate to the question how bone is actually able to sense and process its mechanical environment. Among other stimuli, it has been hypothesized that the macroscopic mechanical loading induces pressure gradients in the pore spaces of bone tissue, and that these pressure gradients lead to fluid flow exciting the cells that are located in the pore spaces. Since in vitro tests confirmed that cells subjected to the flow of the surrounding fluid indeed respond in form of altered expression activities, the scientific community has in large part embraced the fluid flow-hypothesis. However, direct experimental evidence as to the actual occurrence of sufficiently fast fluid flow (in order to reach the cell responses observed in vitro) has not been attained so far. In this paper, a multiscale modeling strategy is presented (inspired by the well-established concept of continuum micromechanics), allowing for upscaling (or homogenization) of the fluid flow contributions in the canalicular, lacunar, and vascular pores in terms of a corresponding macroscopic permeability of bone tissue. The same model also allows for proceeding the opposite way, namely for downscaling macroscopically acting pressure gradients to the pore levels. Thus, physiologically relevant mechanical loading conditions can be related straightforwardly to the correspondingly arising pore-scale pressure gradients, and, through considering the resulting pressure gradients in suitable transport laws, also to related fluid velocities. When comparing the such computed fluid velocities with the fluid velocities that were shown to efficiently excite bone cells in vitro, it turns out that pressure-driven fluid flow in the canalicular pores is probably not a potent mechanical stimulus for osteocytes, whereas fluid flow in the vascular pores may indeed reach the required fluid velocities and hence excite the therein residing osteoblasts, osteoclasts, and bone lining cells. In conclusion, this paper provides important, unprecedented insights as to the observation scale-specific cellular mechanosensation in bone.

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Section: Discussionmentioning

confidence: 99%

“…Equation 4allows to derive the velocity averaging relation, see Abdalrahman et al [38] and Damrongwiriyanupap et al [47] for details, reading as…”

Section: Theoretical Foundations Of Permeability Upscaling and Pressumentioning

confidence: 99%

Multiscale Modeling Provides Differentiated Insights to Fluid Flow-Driven Stimulation of Bone Cellular Activities

Estermann

Scheiner

2018

Front. Phys.

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“…Based on the test results, an empirical relationship was regressed between chloride diffusivity and curing age. In terms of theory, Damrongwiriyanupap et al [17] formulated the chloride diffusivity of cement paste in terms of the porosity and the chloride diffusivity of pore solution and verified the analytical relationship with experimental results. Gu et al [18] adopted a multi-scale model to compute the chloride diffusivity of ultra-high performance concrete and demonstrated that the numerical results slightly overestimate the experimental results.…”

Section: Introductionmentioning

confidence: 92%

Experimental Investigation and Analytical Modeling of Chloride Diffusivity of Fly Ash Concrete

et al. 2020

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Owing to its importance in the assessment of reinforced concrete structures, it is essential to determine the chloride diffusivity of fly ash concrete. This paper presents an investigation into the diffusion characteristics of chloride ions in fly ash concrete. Through experiment, the relationship between chloride diffusivity and curing age up to 1800 days is measured and the effects of curing age, water/binder ratio, aggregate volume fraction, and fly ash content (i.e., percentage of total cementitious material by mass) on chloride diffusivity are evaluated. It is found that the chloride diffusivity decreases with the increase of curing age, aggregate volume fraction, and fly ash content, but increases with the increase of water/binder ratio. In analytical modeling, an equivalent aggregate model is constructed and the equivalent interfacial transition zone (ITZ) thickness is derived analytically. With the equivalent aggregate model, three-phase fly ash concrete reduces to a two-phase composite material. By extending the Maxwell method, the chloride diffusivity of fly ash concrete is formulated. Finally, the validity of the analytical method is verified by experimental results.

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“…A wide range of different kinds of mechanical behavior of classical engineering materials and biological tissues have been investigated, whereas the fundamental concept of continuum micromechanics has turned out to be applicable and adaptable to a wide range of different kinds of mechanical behavior, such as elasticity, 202,203 strength, 204 viscoelasticity, 205,206 poroelasticity, 207,208 and interface mechanics. 209 As revealed in the pioneering contribution by Dormieux and Kondo, 210 the concept of continuum micromechanics can be analogously applied to transport processes, such as diffusion, 211 or Darcy-type advection. 212,213 The modeling concepts introduced earlier are particularly well suited for the field of systems medicine, given that many (if not most) biological processes are, in one way or another, driven and/or excited by Stalidzans, et al; Network and Systems Medicine 2020, 3.1 http://online.liebertpub.com/doi/10.1089/nsm.2020.0002 solid or fluid mechanical stimuli.…”

Section: Multiscale Mechanics Modelsmentioning

confidence: 99%

Mechanistic Modeling and Multiscale Applications for Precision Medicine: Theory and Practice

Stalidzāns

Zanin

Tieri

et al. 2020

Network and Systems Medicine

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Drug research, therapy development, and other areas of pharmacology and medicine can benefit from simulations and optimization of mathematical models that contain a mathematical description of interactions between systems elements at the cellular, tissue, organ, body, and population level. This approach is the foundation of systems medicine and precision medicine. Here, simulated experiments are performed with computers (in silico) first, and they are then replicated through lab experiments (in vivo or in vitro) or clinical studies. In turn, these experiments and studies can be used to validate or improve the models. This iterative loop of dry and wet lab work is successful when biomedical researchers tightly collaborate with data scientists and modelers. From an educational point of view, the interdisciplinary research in systems biology can be sustained most effectively when specialists have been trained to have both a strong background in the disciplines of biology or modeling and strong communication skills, which make them able to communicate with other specialists. This overview addresses possible interdisciplinary communication gaps. Focusing our attention on biomedical researchers, we describe the reasons for using modeling and ways to collaborate with modelers, including their needs for specific biological expertise and data. This review includes an introduction to the principles of several widely used mechanistic modeling methods, focusing on their areas of applicability as well as their limitations. A potential complementary role of machine-learning methods in the development of mechanistic models is also discussed. The descriptions of the methods also include links to corresponding modeling software tools as well as practical examples of their application. Finally, we also explicitly address different aspects of multiscale modeling approaches that allow a more complete and holistic perspective of the human body.

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Self-Consistent Channel Approach for Upscaling Chloride Diffusivity in Cement Pastes

Cited by 25 publications

References 82 publications

Multiscale Modeling Provides Differentiated Insights to Fluid Flow-Driven Stimulation of Bone Cellular Activities

Multiscale Modeling Provides Differentiated Insights to Fluid Flow-Driven Stimulation of Bone Cellular Activities

Experimental Investigation and Analytical Modeling of Chloride Diffusivity of Fly Ash Concrete

Mechanistic Modeling and Multiscale Applications for Precision Medicine: Theory and Practice

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