Tulio Honorio

Research Engineer · Senior Expert · CEA Paris-Saclay

Tulio Honorio de Faria

I develop multiscale, multiphysics models that connect the molecular structure of cement hydrates and clays to the durability and mechanics of concrete. My work combines molecular simulation, thermodynamic modeling, micromechanics and experiments, with a focus on confined water, alkali–silica reaction, irradiation effects and low-carbon binders.

I chair the RILEM Technical Committee ASM on atomistic simulations for cement-based materials. HDR, Université Paris-Saclay (2023). Previously Associate Professor at ENS Paris-Saclay (2018–2023).

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Portrait of Tulio Honorio

Ongoing projects

All research
SEM images of synthesized ASR products, Na-shlykovite and ASR-P1
Å → mm

Alkali–silica reaction

Atomic structures, thermodynamics and expansion mechanisms of ASR products, from crystalline phases to mortar.
Coarse-grained model of the C-S-H gel with multi-site flexible particles
nm → µm

Coarse-grained C-S-H gel

Mesostructure and mechanics of C-S-H and ASR gels from coarse-grained simulations with flexible multi-site particles.
Molecular models of C-S-H pores from interlayer to gel pore sizes, C-S-H mesostructure and nanoscale cavitation
Å → nm

C-S-H at the molecular scale

Atomic models of C-S-H and the behaviour of the water confined in its nanopores.
Crystalline and defective atomic models of M-S-H based on sepiolite, talc, lizardite and L1T1 structures
Å → µm

M-(A)-S-H

Synthesis, atomic structures and properties of magnesium (alumino)silicate hydrates, a binding phase of low-carbon cements.
Water content of ettringite and metaettringite versus relative humidity from GCMC-MD simulations, showing sorption hysteresis
Å → mm

Sorption and sorption-induced deformation

Water sorption, hysteresis and disjoining pressure in nanopores, and the shrinkage and swelling they cause.
All-atom PCE 40:10–25 molecule built with pyPCE
Å → nm

Superplasticizers (PCE)

Atomistic and coarse-grained models of polycarboxylate ether superplasticizers and their adsorption on cement phases.
Quartz atomic structure at irradiation doses of 0.1 and 2.5 eV/atom from ballistic cascade simulations
Å → m

Irradiation effects in cement systems

Radiolytic H₂ production and transport in cement hydrates, and radiation-induced volumetric expansion (RIVE) of aggregate minerals.
Na-montmorillonite at 1W, 1.5W, 2W and 3W hydration states
Å → nm

Water and ions in clays

Anomalous diffusion, swelling and thermo-poromechanics of water and counterions confined in swelling clays.
Impedance of the C-S-H gel versus frequency for increasing packing density, with equivalent circuits
Å → m

Electrical and dielectric properties

Dielectric permittivity and ionic conductivity of pore solutions and hydrates, upscaled for non-destructive testing.
Phase assemblage of a CEM V/A S-Q blended cement paste versus age from thermodynamic modelling
nm → m

Low-carbon concrete

Composition–property links for blended low-clinker cements, from thermodynamic modelling and micromechanics to experiments.
Multiscale homogenization scheme from hydration products to cement paste, mortar and concrete
nm → m

Micromechanics and upscaling

Analytical and numerical homogenization linking the properties of cement phases to those of paste, mortar and concrete.
Alkali–silica reaction Coarse-grained C-S-H gel C-S-H at the molecular scale M-(A)-S-H Sorption and sorption-induced deformation Superplasticizers (PCE) Irradiation effects in cement systems Water and ions in clays Electrical and dielectric properties Low-carbon concrete Micromechanics and upscaling
Length scales covered by each project, from atoms (10⁻¹⁰ m) to structures (1 m), log scale.

Recent papers

Full list
  1. Fractional subdiffusion of molecular hydrogen in irradiated portlandite: connecting atomistic insights and macroscopic release Simeone, D.; Herin, T.; Bouniol, P.; Poyet, S.; Honorio, T.; Le Caër, S. Physical Chemistry Chemical Physics (2026) doi:10.1039/D6CP02999J
  2. Anomalous diffusion of water and ions in swelling clays Honorio, T. The Journal of Physical Chemistry C (2026) doi:10.1021/acs.jpcc.6c05692
  3. Power-law creep in C-S-H emerging from subdiffusive dynamics Honorio, T. Cement and Concrete Research 209, 108362 (2026) Open access doi:10.1016/j.cemconres.2026.108362
  4. Fluorescence-based detection of apparent crystallization pressure in microfluidic channels Mahmoud Hawchar, B.*; Honorio, T.; Vandamme, M.; Osselin, F.; Pereira, J.-M.; Mercury, L.; Brochard, L. Journal of Crystal Growth 694, 128749 (2026) Open access doi:10.1016/j.jcrysgro.2026.128749
  5. Crystalline ASR products: review of mineral candidates and molecular simulations of their atomic structures, thermodynamic data and thermoelastic properties Honorio, T.; Razki, S.*; Dias Reis, E.#; Charpentier, T.; Loukili, I.***; Bourdot, A.; Benboudjema, F. Cement and Concrete Research 208, 108326 (2026) Open access doi:10.1016/j.cemconres.2026.108326

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Chair of RILEM TC ASM, Atomistic Simulations for Cement-Based Materials: recommendations and link to experiments.