Representative Volume Element Based Modeling of Cementitious Materials

Shahzamanian, M. M.; Tadepalli, T.; Rajendran, A. M.; Hodo, Wayne; Mohan, Ram; Valisetty, R.; Chung, Peter; Ramsey, J. J.

doi:10.1115/1.4025916

Cited by 45 publications

(18 citation statements)

References 51 publications

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“…Clearly, two-phase molecular structure representations of cement paste show an isotropic material behavior based on the predicted stiffness constants. It can be noted that the commonly used homogenization technique indicates that the isotropic characteristics of cement paste are due to the random dispersion of the polycrystalline phases [12,20]. Results from present MD-based constitutive stiffness tensor predictions show clearly isotropic material characteristics, even with two phases combined in different proportions.…”

Section: Parametrization Of the Molecular Dynamics (Md)mentioning

confidence: 67%

“…Multiscale predictive modeling methods that link the microscopic distribution of hydrated and unhydrated phases to the mechanical behavior of cement paste at macroscale have been reported [12][13][14][15][16][17][18][19][20]. Most of these methods are based on the definition of a representative volume element (RVE) to describe the morphology of the system.…”

Section: Introductionmentioning

confidence: 99%

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Constitutive Stiffness Characteristics of Cement Paste as a Multiphase Composite System—A Molecular Dynamics-Based Model

Espinosa

Hodo

Murillo

et al. 2017

Journal of Engineering Materials and Technology

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Cement paste is a material with heterogeneous composite structure consisting of hydrated and unhydrated phases at all length scales that varies depending upon the degree of hydration. In this paper, a method to model cement paste as a multiphase system at molecular level for predicting constitutive properties and for understanding the constitutive mechanical behavior characteristics using molecular dynamics is presented. The proposed method creates a framework for molecular level models suitable for predicting constitutive properties of heterogeneous cement paste that could provide potential for comparisons with low length scale experimental characterization techniques. The molecular modeling method followed two approaches: one involving admixed molecular phases and the second involving clusters of the individual phases. In particular, in the present study, cement paste is represented as two-phase composite systems consisting of the calcium silicate hydrate (CSH) phase combined with unhydrated phases tricalcium silicate (C3S) or dicalcium silicate (C2S). Predicted elastic stiffness constants based on molecular model representations employed for the two phases showed that, although the individual phases have anisotropic characteristics, the composite system behaves as an isotropic material. The isotropic characteristics seen from two-phase molecular models mimic the isotropic material nature of heterogeneous cement paste at engineering scale. Further, predicted bulk modulus of the composite system based on molecular modeling is found to be high compared to the elastic modulus, which concurs with the high compression strength of cement paste seen at engineering length scales.

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Section: Parametrization Of the Molecular Dynamics (Md)mentioning

confidence: 67%

Section: Introductionmentioning

confidence: 99%

Constitutive Stiffness Characteristics of Cement Paste as a Multiphase Composite System—A Molecular Dynamics-Based Model

Espinosa

Hodo

Murillo

et al. 2017

Journal of Engineering Materials and Technology

Self Cite

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“…RVE calculated elastic properties such as moduli are compared with the values obtained for this complex material microstructure configuration via asymptotic expansion homogenization (AEH), originally developed for woven fabric composites [6]. Complete details are available in reference [7].…”

Section: Micro Scale Modelingmentioning

confidence: 99%

“…Elastic modulus and shear modulus values obtained from AEH estimates are slightly higher than the KBC and PBC estimates. Complete details are presented in reference [7].…”

Section: Microstructural Orthotropic Elastic Matric Predictive Modelimentioning

confidence: 99%

Computational Modeling of Multi-Scale Features in Cementitious Materials

Mohan¹,

Rajendran²,

Hodo³

2015

Proceedings of the 5th International Conference on Computational Methods in Structural Dynamics and Earthquake Engineering (COM

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“…The stiffness values obtained from the experiments are validated analytically using the Gibson–Ashby model for cellular solids, 37,47 and the RVEs of the structures were analysed using the finite element method (FEM). 48…”

Section: Introductionmentioning

confidence: 99%

Tension-compression asymmetric mechanical behaviour of lattice cellular structures produced by selective laser melting

Raghavendra

Molinari

Fontanari

et al. 2020

Proceedings of the Institution of Mechanical Engineers, Part C:

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Additive manufacturing is an evolving technology for fabricating porous structures used in a broad array of applications, ranging from the aerospace industry to biomedical engineering. Porous titanium alloy (Ti6Al4V) structures play a major role in biomedical implants and are preferred over conventional solid implants because their properties can be tailored to obtain the stiffness required to avoid stress shielding and improve osteointegration. The mechanical properties of these structures are dependent on unit cell topology and overall porosity. In the present work, three open cellular configurations were studied, namely regular (square), irregular (skewed square) and fully random structures, at three different porosity levels. The samples were manufactured using the selective laser melting of spherical Ti6Al4V powder. The deviations of manufactured samples from as designed were assessed using morphological characterisations and porosity analyses. The mechanical characterisations of the samples included monotonic and cyclic tensile tests, along with conventional compression tests under monotonic and cyclic conditions. The results from the study indicate a clear deviation of thickness values from as-designed values. The effect of inclination of the strut with respect to the loading axis has been studied in compression samples. The off-axis loading in compression led to the asymmetry in the Young's modulus in compression and tension. These led to finite element modelling of structures in the elastic regime and its validation using Gibson–Ashby model for cellular structures.

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Representative Volume Element Based Modeling of Cementitious Materials

Cited by 45 publications

References 51 publications

Constitutive Stiffness Characteristics of Cement Paste as a Multiphase Composite System—A Molecular Dynamics-Based Model

Constitutive Stiffness Characteristics of Cement Paste as a Multiphase Composite System—A Molecular Dynamics-Based Model

Computational Modeling of Multi-Scale Features in Cementitious Materials

Tension-compression asymmetric mechanical behaviour of lattice cellular structures produced by selective laser melting

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