On mesoscale modeling of concrete: Role of heterogeneities on local stresses, strains, and representative volume element

Thakur, Mohmad Mohsin; Engqvist, Jonas; Autran, Pierre-Olivier; Wright, Jonathan P.; Hurley, Ryan

doi:10.1016/j.cemconres.2022.107031

Cited by 18 publications

(3 citation statements)

References 41 publications

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“…The blocks were first chiseled and ball-milled and subsequently air-milled in a custom-built air mill at 20 psi as described in ref. 80 . Finally, grains were sieved to retain those with approximate diameters between 150 μm and 212 μm.…”

Section: Methodsmentioning

confidence: 99%

Assessing continuum plasticity postulates with grain stress and local strain measurements in triaxially compressed sand

Hurley

Shahin

Kuwik

et al. 2023

Proc. Natl. Acad. Sci. U.S.A.

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Critical state and continuum plasticity theories have been used in research and engineering practice in soil and rock mechanics for decades. These theories rely on postulated relationships between material stresses and strains. Some classical postulates include coaxiality between stress and strain rates, stress–dilatancy relationships, and kinematic assumptions in shear bands. Although numerical and experimental data have quantified the strains and grain kinematics in such experiments, little data quantifying grain stresses are available. Here, we report the first-known grain stress and local strain measurements in triaxial compression tests on synthetic quartz sands using synchrotron X-ray tomography and 3D X-ray diffraction. We use these data to examine the micromechanics of shear banding, with a focus on coaxiality, stress-dilatancy, and kinematics within bands. Our results indicate the following: 1) elevated deviatoric stress, strain, and stress ratios in shear bands throughout experiments; 2) coaxial principal compressive stresses and strains throughout samples; 3) significant contraction along shear bands; 4) vanishing volumetric strain but nonvanishing stress fluctuations throughout samples at all stages of deformation. Our results provide some of the first-known in situ stress and strain measurements able to aid in critically evaluating postulates employed in continuum plasticity and strain localization theories for sands.

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Section: Methodsmentioning

confidence: 99%

Assessing continuum plasticity postulates with grain stress and local strain measurements in triaxially compressed sand

Hurley

Shahin

Kuwik

et al. 2023

Proc. Natl. Acad. Sci. U.S.A.

Self Cite

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“…Many computational approaches have been and are being used to shed light on the rich physics of concrete at various scales: (i) the finite element method has been applied for a long time to study properties and processes occurring at the meso-scale. [1][2][3][4][5][6][7][8][9][10][11][12] More recently, atomic-scale theoretical approaches have emerged, which investigate the microscopic origin of multiple phenomena and can be classified into two categories; (ii) classical molecular mechanics (MM) or molecular dynamics (MD) methods based on explicitly parameterized force fields, [13][14][15][16][17][18][19][20][21] and (iii) quantum-mechanical methods based on the density functional theory (DFT). [22][23][24][25][26][27][28] Finally, in the last couple of years, we are witnessing a fast-growing interest in the application of (iv) artificial intelligence, in the form of machine and deep learning algorithms.…”

Section: Introductionmentioning

confidence: 99%

“…Concrete exhibits a complex structure from the macro‐ to the micro‐scale. Many computational approaches have been and are being used to shed light on the rich physics of concrete at various scales: (i) the finite element method has been applied for a long time to study properties and processes occurring at the meso‐scale 1–12 . More recently, atomic‐scale theoretical approaches have emerged, which investigate the microscopic origin of multiple phenomena and can be classified into two categories; (ii) classical molecular mechanics (MM) or molecular dynamics (MD) methods based on explicitly parameterized force fields, 13–21 and (iii) quantum‐mechanical methods based on the density functional theory (DFT) 22–28 .…”

Section: Introductionmentioning

confidence: 99%

Mechanical and dynamical stability of major oxide constituents of Portland cement clinker: a density functional theory study

Maul,

Mitoli,

Erba

et al. 2024

J Am Ceram Soc.

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Quantum‐mechanical calculations based on the density functional theory (DFT) enable an effective characterization of a variety of properties of materials at the atomistic level, although at a high computational cost. Here, we fully exploit parallel computing to apply such methods to the study of lattice dynamics and mechanical response of the major oxide constituents of Portland cement clinker: , , , and . Raman spectra and the evolution of the elastic tensor (and associated mechanical properties) with pressure are predicted for all oxide systems. We devote much attention to the assessment of dynamical and mechanical stability of the many previously proposed polymorphic forms of the most abundant oxide: . Specifically, five different crystalline models of are analyzed: only two turn out to be dynamically stable. The mechanical response of is further analyzed as a function of temperature through a quasi‐harmonic description of its lattice dynamics.

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A CT image-driven computational framework for investigating complex 3D fracture in mesoscale concrete

Huang,

Natarajan,

Zhang

et al. 2023

Cement and Concrete Composites

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On mesoscale modeling of concrete: Role of heterogeneities on local stresses, strains, and representative volume element

Cited by 18 publications

References 41 publications

Assessing continuum plasticity postulates with grain stress and local strain measurements in triaxially compressed sand

Assessing continuum plasticity postulates with grain stress and local strain measurements in triaxially compressed sand

Mechanical and dynamical stability of major oxide constituents of Portland cement clinker: a density functional theory study

A CT image-driven computational framework for investigating complex 3D fracture in mesoscale concrete

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