Multiscale Computational Modeling of Cementitious Materials


List of Papers

Opening Lecture

Multiscale and multi-chemo-mechanistic approach to the life-cycle assessment of structural concrete. K. Maekawa


Topic 1 – Molecular and atomistic methods

Cement: a multi-scale porous material under the nanoscope. R.J.-M. Pellenq

Slow diffusion dynamics of water in cement nanopores: multiscale challenges for atomistic modeling. A.G. Kalinichev and J.R. Kirkpatrick

A bottom-up hierarchical modeling of cement hydrate:from electrons to microtexture of C-S-H. R. Shahsavari, R.J.-M. Pellenq and F.-J. Ulm


Topic 2 - Chemical kinetics and microstructure prediction methods

Computer aided molecular design - A coarse-grain tool for accelerating discovery
of molecular interactions with cement
. J. J. Biernacki, D. P. Visco, Jr. and H. M. Kayello

Coupling nano and meso-scale structure of cement paste: A key to the mechanisms that control properties. H. Jennings


Topic 3 - Multi-component and multi-phase reactive transport modeling

The filler effect: the influence of filler content and surface area on cementitious reaction rates. T. Oey, A. Kumar, N. Neithalath, J.W. Bullard and G. Sant

Coupled mechanical-reactive transport modeling of damage of cementitious materials due to accelerated decalcification. S. Sarkar, L. Brown, F. Sanchez, D. S. Kosson and J.C.L. Meeussen

Challenges in predicting long-term performance of cementitious materials in nuclear waste applications. S. Kosson, J. Arnold, K. Brown, A. Garrabrants, J.C.L. Meeussen, S. Sarkar, P. Seignette, H. van der Sloot

Topic 4 - Property prediction methods

Modelling of concrete using lattice and discrete element method. J. Tejchman

Analogue simulation by DEM of material structure for property estimation of cementitious materials. P. Stroeven, H. He and N.L.B. Le

Multiscale modeling of diagonal cracks in concrete beams. P. Smarzewski and M. Slowik

Microstructural homogenization to model the significance of ASR on mechanical response of concrete. M.M. Reda Taha, T. Fan and J.J. Kim

Multiscale continuum mechanics of cementitious materials: creep and strength. B. Pichler, S. Scheiner and C. Hellmich

A Two-scale model of stiffness for 1D tensile crack opening, closure and healing. C. Arson

Topic 5 – Thermo-chemo-mechanical coupling methods

Theoretical basis for apparent viscoelastic and viscoplastic behavior of cementitious materials. Z. Grasley and K. Rajagopal

Modeling chemo-hygro-thermo-mechanical couplings in cementitious materials. D. Gawin, M. Koniorczyk and F. Pesavento

Topic 6 - Multiscale computational principles and scale bridging methods

Reliability of computational homogenization. W. Cecot, M. Serafin and M. Klimczak

Multiscale Computational Methodology for the Mechanical Response of Nano-
and Micro-Fiber Reinforced Cementitious Composites
. M.G. Pike, C. Oskay
and F. Sanchez


List of Student Posters (* denotes graduate students)

Properties of solutions and their role in the drying and wetting of cementitious materials. C. Villani*, R. Spragg, M. Pour-Ghaz and W.J. Weiss

Numerical model for chemical kinetics of alkali silica reaction in the closed reactive system. T. Kim* and J. Olek

High strain-rate behavior of cement-based materials: A multiscale experimental and modeling effort. N. P. Mayercsik*, C. Katcoff, K. E. Kurtis, L. Graham-Brady

Nanomechanics and Multiscale Modeling of Sustainable Concrete. V. Z. Zadeh* and C. P. Bobko

Micromechanical modeling of restrained shrinkage cracking of heterogeneous materials considering moisture gradients. F.C. Antico*, P.D. Zavattieri and W.J. Weiss