Publications
68 journal articles, 3 book chapters. Full and up-to-date list on Google Scholar.
Open access free to read from the publisher · HAL free author version on HAL
For any article behind a paywall, I am happy to send the PDF to anyone interested. Just email me at tulio.honoriodefaria@cea.fr.
Trainees I supervised: # Postdoc* PhD student** Master student*** Undergraduate student
Selected
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J66
Power-law creep in C-S-H emerging from subdiffusive dynamics Cement and Concrete Research 209, 108362 (2026) Open access doi:10.1016/j.cemconres.2026.108362
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J64
Crystalline ASR products: review of mineral candidates and molecular simulations of their atomic structures, thermodynamic data and thermoelastic properties Cement and Concrete Research 208, 108326 (2026) Open access doi:10.1016/j.cemconres.2026.108326
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J63
Opening Letter of RILEM TC ASM: Atomistic Simulations for Cement-Based Materials: Recommendations and link to Experiments RILEM Technical Letters 11, 89–100 (2026) Open access doi:10.21809/rilemtechlett.2026.238
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J60
Impedance and ionic conductivity of C-S-H Cement and Concrete Research 201, 108123 (2026) Open access doi:10.1016/j.cemconres.2025.108123
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J57
Thermal, mechanical, and transport properties of C-S-H at the molecular scale: a force field benchmark Cement 20: 100143 (2025) Open access doi:10.1016/j.cement.2025.100143
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J56
Crystallization pressure in ASR expansion quantified by thermodynamic modelling and micromechanics Cement and Concrete Research 193, 107878 (2025) Open access doi:10.1016/j.cemconres.2025.107878
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J48
Permeability of C-S-H Cement and Concrete Research 176, 107408 (2024) doi:10.1016/j.cemconres.2023.107408
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J42
Sorption in C-S-H at the molecular level: disjoining pressures, effective interactions, hysteresis, and cavitation Cement and Concrete Research 164 107047 (2023) doi:10.1016/j.cemconres.2022.107047
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J30
Advances in atomistic modelling and understanding of drying shrinkage in cementitious materials Cement and Concrete Research 148, 106536 (2021) doi:10.1016/j.cemconres.2021.106536
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J24
Specific ion effects control the thermoelastic behavior of nanolayered materials: the case of crystalline alkali-silica reaction products Physical Chemistry Chemical Physics 22, 27800 (2020) doi:10.1039/d0cp04955g
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J13
Flexibility of nanolayers and stacks: implications in the nanostructuration of clays Soft Matter 14, 7354-7367 (2018) doi:10.1039/C8SM01359D
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J8
Hydration phase diagram of clays from molecular simulations Langmuir 33 (44), 12766-12776 (2017) doi:10.1021/acs.langmuir.7b03198
Submitted
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J71
Transport properties of mortar affected by ASR: a multiscale approach combining thermodynamic modeling and micromechanics under review
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J70
Atomistic modelling of AFm phases: interlayer structure, anion exchange, and the electrostatic origin of solubility under review
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J68
Apparent thermal contraction of cement pastes up to 175°C: experimental characterization, multiscale model, repercussions at the concrete scale Cement and Concrete Research under revision
2026 9
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J69
Fractional subdiffusion of molecular hydrogen in irradiated portlandite: connecting atomistic insights and macroscopic release Physical Chemistry Chemical Physics (2026) doi:10.1039/D6CP02999J
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J67
Anomalous diffusion of water and ions in swelling clays The Journal of Physical Chemistry C (2026) doi:10.1021/acs.jpcc.6c05692
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J66
Power-law creep in C-S-H emerging from subdiffusive dynamics Cement and Concrete Research 209, 108362 (2026) Open access doi:10.1016/j.cemconres.2026.108362
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J65
Fluorescence-based detection of apparent crystallization pressure in microfluidic channels Journal of Crystal Growth 694, 128749 (2026) Open access doi:10.1016/j.jcrysgro.2026.128749
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J64
Crystalline ASR products: review of mineral candidates and molecular simulations of their atomic structures, thermodynamic data and thermoelastic properties Cement and Concrete Research 208, 108326 (2026) Open access doi:10.1016/j.cemconres.2026.108326
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J63
Opening Letter of RILEM TC ASM: Atomistic Simulations for Cement-Based Materials: Recommendations and link to Experiments RILEM Technical Letters 11, 89–100 (2026) Open access doi:10.21809/rilemtechlett.2026.238
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J62
Phase diagrams of ASR products from thermodynamic modeling Cement and Concrete Research 207, 108287 (2026) Open access doi:10.1016/j.cemconres.2026.108287
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J61
Effects of relative humidity on dissolution and carbonation potential of portlandite Langmuir 42 (9), 6745–6760 (2026) Open access doi:10.1021/acs.langmuir.5c05760
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J60
Impedance and ionic conductivity of C-S-H Cement and Concrete Research 201, 108123 (2026) Open access doi:10.1016/j.cemconres.2025.108123
2025 6
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J59
Exploring crystallization pressure limits via molecular simulation The Journal of Chemical Physics 163, 214708 (2025) doi:10.1063/5.0282117
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J58
The current situation of data and metadata management in construction materials research - emerging demands and viable solutions RILEM Technical Letters 10: 58-67 (2025) Open access doi:10.21809/rilemtechlett.2025.219
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J57
Thermal, mechanical, and transport properties of C-S-H at the molecular scale: a force field benchmark Cement 20: 100143 (2025) Open access doi:10.1016/j.cement.2025.100143
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J56
Crystallization pressure in ASR expansion quantified by thermodynamic modelling and micromechanics Cement and Concrete Research 193, 107878 (2025) Open access doi:10.1016/j.cemconres.2025.107878
- J55
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J54
Monocarboluminate desorption and thermoelastic properties Journal of the American Ceramic Society (2025) doi:10.1111/jace.20246
2024 7
- J53
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J52
H₂ anisotropic subdiffusion and induced expansion in portlandite, gibbsite and boehmite The Journal of Physical Chemistry C 128, 45, 19085–19097 (2024) doi:10.1021/acs.jpcc.4c04681
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J51
Why sorption hysteresis in tobermorite is limited Microporous and Mesoporous Materials 113205 (2024) Open access doi:10.1016/j.micromeso.2024.113205
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J50
Thermal properties of ASR products Materials and Structures 57 (5), 117 (2024) doi:10.1617/s11527-024-02388-w
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J49
Atomic structure of nanocrystalline and amorphous ASR products Cement and Concrete Research 181, 107521 (2024) Open access doi:10.1016/j.cemconres.2024.107521
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J48
Permeability of C-S-H Cement and Concrete Research 176, 107408 (2024) doi:10.1016/j.cemconres.2023.107408
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J47
Nanomechanics of ASR gels from coarse-grained simulations Journal of Engineering Mechanics (2024) doi:10.1061/JENMDT/EMENG-6926
2023 6
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J46
Solubility of NaCl under anisotropic stress state The Journal of Chemical Physics 159(3) 034703 (2023) Editor's Pick doi:10.1063/5.0156229
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J45
Dielectric permittivity of C-S-H Cement and Concrete Research 169, 107178 (2023) doi:10.1016/j.cemconres.2023.107178
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J44
Surface water in C-S-H: effect of the temperature on (de)sorption Cement and Concrete Research 169, 107179 (2023) doi:10.1016/j.cemconres.2023.107179
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J43
Monitoring of Mortar Hydration Combining Microwave and Calorimetry Measurements IEEE Transactions on Instrumentation & Measurement 72, 1-11, 2023, 6002811 (2023) doi:10.1109/TIM.2023.3256462
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J42
Sorption in C-S-H at the molecular level: disjoining pressures, effective interactions, hysteresis, and cavitation Cement and Concrete Research 164 107047 (2023) doi:10.1016/j.cemconres.2022.107047
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J41
Machine Learning and Micromechanics as Allies to Correlate Composition-Property in Cement-Based Materials Journal of Theoretical, Computational and Applied Mechanics (2023) Open access doi:10.46298/jtcam.9830
2022 6
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J40
Friedel's salt: temperature dependence of thermoelastic properties Cement and Concrete Research 160 106904 (2022) doi:10.1016/j.cemconres.2022.106904
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J39
Thermal conductivity of ettringite, heat capacity and thermal expansion of ettringite and metaettringite: effects of the relative humidity and temperature Cement and Concrete Research 159, 106865 (2022) doi:10.1016/j.cemconres.2022.106865
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J38
C-A-S-H thermoelastic properties at the molecular and gel scales Journal of Advanced Concrete Technology 20 (6), 375–388 (2022) doi:10.3151/jact.20.375
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J37
Drained and undrained heat capacity of swelling clays Physical Chemistry Chemical Physics 24, 15003-15014 (2022) Open access doi:10.1039/D2CP01419J
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J36
Triclinic tricalcium silicate: structure and thermoelastic properties from molecular simulations Cement and Concrete Research 158 106810 (2022) doi:10.1016/j.cemconres.2022.106810
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J35
Water self-diffusion in C-S-H: effect of confinement and temperature studied by molecular dynamics Cement and Concrete Research 155, 106775 (2022) doi:10.1016/j.cemconres.2022.106775
2021 10
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J34
On structural Finite Element modelling strategies and their influence on the optimization of final constructability of RC structures Nuclear Engineering and Design 385, 111541 (2021) doi:10.1016/j.nucengdes.2021.111541
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J33
Heat capacity, compressibility and thermal expansion of liquid water confined in C-S-H Cement 6, 100015 (2021) Open access doi:10.1016/j.cement.2021.100015
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J32
Ettringite hysteresis under sorption from molecular simulations Cement and Concrete Research 150, 106587 (2021) doi:10.1016/j.cemconres.2021.106587
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J31
Coupled Hydraulic, Mechanical and Dielectric investigations of fine grained soils during shrinkage Engineering Geology 294, 106352 (2021) doi:10.1016/j.enggeo.2021.106352
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J30
Advances in atomistic modelling and understanding of drying shrinkage in cementitious materials Cement and Concrete Research 148, 106536 (2021) doi:10.1016/j.cemconres.2021.106536
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J29
Recommendations of RILEM TC 287-CCS: Thermo-chemo-mechanical modelling of massive concrete structures towards cracking risk assessment Materials and Structures 54 (135) (2021) doi:10.1617/s11527-021-01732-8
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J28
Homogenization of nonaging basic creep of cementitious materials: a multiscale modeling benchmark Construction and Building Materials 290, 123144 (2021) doi:10.1016/j.conbuildmat.2021.123144
- J27
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J26
Shear deformations in nanolayered silicates: the role of specific ion effects in the alkali-silica reaction products Materials and Structures 54:86 (2021) doi:10.1617/s11527-021-01671-4
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J25
Enhanced massivity index based on evidence from case studies: towards a robust pre-design assessment of early age thermal cracking risk and practical recommendations Construction and Building Materials 271, 121570 (2021) doi:10.1016/j.conbuildmat.2020.121570
2020 7
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J24
Specific ion effects control the thermoelastic behavior of nanolayered materials: the case of crystalline alkali-silica reaction products Physical Chemistry Chemical Physics 22, 27800 (2020) doi:10.1039/d0cp04955g
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J23
Intermolecular interactions of nanocrystalline alkali-silica reaction products under sorption Cement and Concrete Research 136, 106155 (2020) doi:10.1016/j.cemconres.2020.106155
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J22
May self-diffusion of ions computed from molecular dynamics explain the electrical conductivity of pore solutions in cement-based materials? Materials and Structures 53(3): 67 (2020) doi:10.1617/s11527-020-01507-7
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J21
Molecular simulation of the structure and elastic properties of ettringite and monosulfoaluminate Cement and Concrete Research 135, 106126 (2020) doi:10.1016/j.cemconres.2020.106126
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J20
Revisiting thermo-poro-mechanics under adsorption: Formulation without assuming Gibbs-Duhem equation International Journal of Engineering Science 152, 103296 (2020) doi:10.1016/j.ijengsci.2020.103296
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J19
Electrical properties of cement-based materials: Multiscale modeling and quantification of the variability Construction and Building Materials 245, 118461 (2020) doi:10.1016/j.conbuildmat.2020.118461
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J18
Dielectric properties of the pore solution in cement-based materials Journal of Molecular Liquids 302, 112548 (2020) doi:10.1016/j.molliq.2020.112548
2019 4
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J17
The pore solution of cement-based materials: structure and dynamics of water and ions from molecular simulations Physical Chemistry Chemical Physics 21, 11111-11121 (2019) doi:10.1039/C9CP01577A
- J16
- J15
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J14
Anomalous water and ion dynamics in hydroxyapatite mesopores Computational Materials Science 156, 26-34 (2019) doi:10.1016/j.commatsci.2018.08.060
2018 4
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J13
Flexibility of nanolayers and stacks: implications in the nanostructuration of clays Soft Matter 14, 7354-7367 (2018) doi:10.1039/C8SM01359D
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J12
Statistical variability of mechanical fields in thermo-poro-elasticity: multiscale analytical estimations applied to cement-based materials at early-age Cement and Concrete Research 110, 24-41 (2018) doi:10.1016/j.cemconres.2018.05.010
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J11
Effective stresses and estimations of the apparent Biot coefficient in stacked clay nanolayers Géotechnique Letters 8 (2), 97-101 (2018) doi:10.1680/jgele.17.00170
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J10
Thermal properties of cement-based materials: multiscale estimations at early-age Cement and Concrete Composites 87, 205-219 (2018) doi:10.1016/j.cemconcomp.2018.01.003
2017 5
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J9
Numerical benchmark campaign of COST Action TU1404 -- microstructural modelling RILEM Technical Letters 2, 99–107 (2017) Open access doi:10.21809/rilemtechlett.2017.44
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J8
Hydration phase diagram of clays from molecular simulations Langmuir 33 (44), 12766-12776 (2017) doi:10.1021/acs.langmuir.7b03198
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J7
Nanoscale origin of the thermomechanical behavior of clays Acta Geotechnica 12 (6), 1261-1279 (2017) doi:10.1007/s11440-017-0596-3
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J6
Effective properties of n-coated composite spheres assemblage in an ageing viscoelastic framework International Journal of Solids and Structures 124, 1-13 (2017) doi:10.1016/j.ijsolstr.2017.04.028
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J5
Micromechanics of transformation fields in ageing linear viscoelastic composites: effects of phase dissolution or precipitation Mechanics of Time-Dependent Materials 21 (4), 597-612 (2017) doi:10.1007/s11043-017-9344-1
2016 3
- J4
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J3
Modeling hydration kinetics based on boundary nucleation and space-filling growth in a fixed confined zone Cement and Concrete Research 83, 31-44 (2016) doi:10.1016/j.cemconres.2016.01.012
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J2
Factors affecting the thermo-chemo-mechanical behavior of massive concrete structures at early-age: a numerical study Materials and Structures 49 (8), 3055–3073 (2016) doi:10.1617/s11527-015-0704-5
2014 1
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J1
Evaluation of the contribution of boundary and initial conditions in the chemo-thermal analysis of a massive concrete structure Engineering Structures 80, 173-188 (2014) doi:10.1016/j.engstruct.2014.08.050
Book chapters
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B3
Hydration and heat development Thermal Cracking of Massive Concrete Structures (Springer) Chapter 2, 13–46 (2019) doi:10.1007/978-3-319-76617-1_2
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B2
Thermal properties Thermal Cracking of Massive Concrete Structures (Springer) Chapter 3, 46–67 (2019) doi:10.1007/978-3-319-76617-1_3
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B1
Mechanical properties Thermal Cracking of Massive Concrete Structures (Springer) Chapter 4, 69–114 (2019) doi:10.1007/978-3-319-76617-1_4
Theses
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HDR
Multi-Scale Multi-Physics Multi-Technique modeling for establishing composition-(micro)structure-property correlations in cement-based materials Habilitation (HDR), Université Paris-Saclay (2023) Open access
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PhD
Modelling concrete behaviour at early-age: multiscale analysis and simulation of a massive disposal structure PhD thesis, École Normale Supérieure de Cachan (2015) Open access
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