LES Publications

Adamou P, Entwistle J, Graham DW, Neumann A
Mineral-based advanced oxidation processes for enhancing the removal of antibiotic resistance genes from domestic wastewater
ACS ES&T Water. 2025; 5(5): 2310-2321. https://doi.org/10.1021/acsestwater.4c01213
DORA PSI

Ambrose J, Shenbagam VK, Provis J, Bescher E, Hanein T
Calcium sulfoaluminate based cements versus standard testing procedures
Advances in Cement Research. 2025; 37(2): 125-132. https://doi.org/10.1680/jadcr.24.00033
DORA PSI

Ban J, Lu JX, Ma B, Peng L, Du H, Fan D, et al.
Hydration and physicochemical immobilization mechanisms of pozzolanic-hazardous waste in supersulfated cement
Cement and Concrete Composites. 2025; 158: 105970 (16 pp.). https://doi.org/10.1016/j.cemconcomp.2025.105970
DORA PSI

Bettoni S, Kallestrup J, Tekin GE, Böge M, Boiger R
Machine learning for orbit steering in the presence of nonlinearities
Journal of Synchrotron Radiation. 2025; 32: 609-621. https://doi.org/10.1107/S1600577525002334
DORA PSI

Boiger R, Xi B, Miron GD, Bonvin M, Provis JL, Churakov SV, et al.
Machine learning-accelerated discovery of green cement recipes
Materials and Structures. 2025; 58(5): 173 (20 pp.). https://doi.org/10.1617/s11527-025-02684-z
DORA PSI

Geddes DA, Stennett MC, Wilkinson TJ, Griffith BE, Hanna JV, Provis JL, et al.
Alkali-mediated Sr incorporation mechanism and binding capacity of alkali aluminosilicate hydrate in geopolymers
Journal of Hazardous Materials. 2025; 488: 137426 (15 pp.). https://doi.org/10.1016/j.jhazmat.2025.137426
DORA PSI

Hasnaoui A, McWilliams J, Reeb C, Hayes M, Davy CA, Provis JL, et al.
Solidification of tributyl phosphate/dodecane waste using metakaolin-based potassium geopolymers
Nuclear Engineering and Design. 2025; 442: 114251 (7 pp.). https://doi.org/10.1016/j.nucengdes.2025.114251
DORA PSI

Ingold P, Weibel G, Kämpfer P, Churakov SV
Weathering and trace element mobilisation of MSWI bottom ash from wet and dry extraction
Journal of Contaminant Hydrology. 2025; 272: 104566 (9 pp.). https://doi.org/10.1016/j.jconhyd.2025.104566
DORA PSI

Katheras AS, Krack M, Zimmermann T, Scheinost AC, Churakov SV
Incorporation mechanism of Tc(IV) in magnetite revealed by EXAFS measurements and ab initio simulations
Journal of Physical Chemistry C. 2025; 129(12): 5921-5930. https://doi.org/10.1021/acs.jpcc.5c00357
DORA PSI

Kim B, Walkley B, Provis JL, Ma H min, Um W
Effect of Ca(OH)₂ on the immobilization of simulated radioactive borate waste in metakaolin-based geopolymer waste forms
Cement and Concrete Research. 2025; 197: 107946 (16 pp.). https://doi.org/10.1016/j.cemconres.2025.107946
DORA PSI

Mingione S, Jansen D, Winnefeld F, Churakov SV, Lothenbach B
Effect of temperature on the solubility of xonotlite
Cement and Concrete Research. 2025; 188: 107732 (14 pp.). https://doi.org/10.1016/j.cemconres.2024.107732
DORA PSI

Pang L, Wang D, Wang Q
Design of alkali-activated phosphorus slag binders for Cr(VI) Immobilization: Thermodynamic modelling and experimental insights
Cement and Concrete Composites. 2025; 162: 106124 (14 pp.). https://doi.org/10.1016/j.cemconcomp.2025.106124
DORA PSI

Pang L, Xi B, Wei X, Wang D
Utilizing electric furnace ferronickel slag as a supplementary cementitious material: Hydration and Cr leaching risk
Construction and Building Materials. 2025; 483: 141819 (10 pp.). https://doi.org/10.1016/j.conbuildmat.2025.141819
DORA PSI

Prasianakis NI, Laloy E, Jacques D, Meeussen JCL, Miron GD, Kulik DA, et al.
Geochemistry and machine learning: methods and benchmarking
Environmental Earth Sciences. 2025; 84(5): 121 (33 pp.). https://doi.org/10.1007/s12665-024-12066-3
DORA PSI

Rajyaguru A, Metzler R, Cherstvy AG, Berkowitz B
Quantifying anomalous chemical diffusion through disordered porous rock materials
Physical Chemistry Chemical Physics. 2025; 27(17): 9056-9067. https://doi.org/10.1039/d5cp00654f
DORA PSI

Strobl M, Baur ME, Samothrakitis S, Malamud F, Zhang X, Tung PKM, et al.
Concurrent operando neutron imaging and diffraction analysis revealing spatial lithiation phase evolution in an ultra-thick graphite electrode
Advanced Energy Materials. 2025: 2405238 (9 pp.). https://doi.org/10.1002/aenm.202405238
DORA PSI

Tortarolo M, Goijman D, Barral MA, Di Napoli S, Pérez Martínez AA, Ramírez G, et al.
Charge-mediated electric control of the perpendicular magnetic anisotropy in Fe-Ga/PMN-PT composite multiferroic
Journal of Applied Physics. 2025; 137(1): 014101 (6 pp.). https://doi.org/10.1063/5.0243392
DORA PSI

Vehling F, Kosakowski G, Shao H
Two-phase reactive transport modeling of heterogeneous gas production in a low- and intermediate-level radioactive waste repository
Applied Geochemistry. 2025; 178: 106219 (15 pp.). https://doi.org/10.1016/j.apgeochem.2024.106219
DORA PSI

Wang D, Zhang Y, Provis JL, Lothenbach B, Churakov SV, Miron GD, et al.
Hydrotalcite-pyroaurite solid solution in cement system: molecular structure and thermodynamic properties
Cement and Concrete Research. 2025; 197: 107976 (10 pp.). https://doi.org/10.1016/j.cemconres.2025.107976
DORA PSI

Xu Z, Ma B, Tang Y, Tsang DCW
Layer-to-tunnel manganese oxides transformation triggered by pyrogenic carbon and trace metals: Key role of reducing and oxidizing components cooperation
Geochimica et Cosmochimica Acta. 2025; 388: 18-33. https://doi.org/10.1016/j.gca.2024.11.015
DORA PSI

Yue Z, Su Z, Paul PP, Marsh ATM, Macente A, Di Michiel M, et al.
3D crystalline phase and pore structure evolution upon CO₂ exposure in sodium sulfate-activated cement pastes
Cement and Concrete Research. 2025; 187: 107716 (14 pp.). https://doi.org/10.1016/j.cemconres.2024.107716
DORA PSI

Yue Z, Dhandapani Y, Provis JL, Bernal SA
A reactive-transport framework to model carbonation performance of a hardened cement: the case of alkali-sulfate slag cement pastes
Cement and Concrete Research. 2025; 197: 107961. https://doi.org/10.1016/j.cemconres.2025.107961
DORA PSI

Zerva D, Glaus MA, Provis JL, Churakov SV
Diffusion and retention of Co²⁺ and Zn²⁺ in compacted homocationic forms of illite: role of the electrical double layer
Applied Geochemistry. 2025; 181: 106312 (11 pp.). https://doi.org/10.1016/j.apgeochem.2025.106312
DORA PSI

Zheng C, Zhang Z, Zhu Y, Ren Q, Provis JL, Wang Q, et al.
Leaching behavior of lithium slag at various pH conditions
Cement and Concrete Composites. 2025; 159: 105985 (22 pp.). https://doi.org/10.1016/j.cemconcomp.2025.105985
DORA PSI

Zuo Y, Chen Y, Liu C, Gan Y, Göbel L, Ye G, et al.
Modeling and simulation of alkali-activated materials (AAMs): a critical review
Cement and Concrete Research. 2025; 189: 107769 (19 pp.). https://doi.org/10.1016/j.cemconres.2024.107769
DORA PSI

Ait-Mouheb N, Yang Y, Deissmann G, Klinkenberg M, Poonoosamy J, Vinograd V, et al.
Retention of ²²⁶Ra in the sandy Opalinus Clay facies from the Mont Terri rock laboratory, Switzerland
Applied Geochemistry. 2024; 170: 106048 (15 pp.). https://doi.org/10.1016/j.apgeochem.2024.106048
DORA PSI

Albert CC, Mundra S, Ferreira Sanchez D, Furcas FE, Rajyaguru AD, Isgor OB, et al.
Microscale chemical imaging to characterize and quantify corrosion processes at the metal-electrolyte interface
npj Materials Degradation. 2024; 8(1): 116 (9 pp.). https://doi.org/10.1038/s41529-024-00534-x
DORA PSI

Albà A, Adelmann A, Münster L, Rochman D, Boiger R
Fast uncertainty quantification of spent nuclear fuel with neural networks
Annals of Nuclear Energy. 2024; 196: 110204 (8 pp.). https://doi.org/10.1016/j.anucene.2023.110204
DORA PSI

Aschwanden L, Waber HN, Eichinger F, Gimmi T
Isotope diffusive exchange experiments for deriving porewater isotope composition in low-permeability rocks - improvements in experimental procedure and data processing
Applied Geochemistry. 2024; 160: 105844 (14 pp.). https://doi.org/10.1016/j.apgeochem.2023.105844
DORA PSI

Baral A, Pesce C, Yorkshire AS, Zhakiyeva Z, Snellings R, Hanein T, et al.
Characterisation of iron-rich cementitious materials
Cement and Concrete Research. 2024; 177: 107419 (26 pp.). https://doi.org/10.1016/j.cemconres.2023.107419
DORA PSI

Bernal SA, Dhandapani Y, Elakneswaran Y, Gluth GJG, Gruyaert E, Juenger MCG, et al.
Report of RILEM TC 281-CCC: a critical review of the standardised testing methods to determine carbonation resistance of concrete
Materials and Structures. 2024; 57(8): 173 (31 pp.). https://doi.org/10.1617/s11527-024-02424-9
DORA PSI

Bettoni S, Orlandi GL, Salomone F, Boiger R, Ischebeck R, Xue R, et al.
Machine learning based longitudinal virtual diagnostics at SwissFEL
Review of Scientific Instruments. 2024; 95(1): 015110 (12 pp.). https://doi.org/10.1063/5.0179712
DORA PSI

Boiger R, Churakov SV, Ballester Llagaria I, Kosakowski G, Wüst R, Prasianakis NI
Direct mineral content prediction from drill core images via transfer learning
Swiss Journal of Geosciences. 2024; 117: 8 (26 pp.). https://doi.org/10.1186/s00015-024-00458-3
DORA PSI

Chaerun RI, Ishimura M, Prihutami P, Niu X, Ohya Y, Kuroda K, et al.
Immobilisation of iodide in alkali-activated materials
Chemosphere. 2024; 369: 143871 (11 pp.). https://doi.org/10.1016/j.chemosphere.2024.143871
DORA PSI

Chen L, Zhu X, Zhang Y, Wang L, Ma B, Zheng Y, et al.
Carbonation-enhanced interfacial transition zone in biochar-cement mortar
Construction and Building Materials. 2024; 451: 138606 (14 pp.). https://doi.org/10.1016/j.conbuildmat.2024.138606
DORA PSI

Chen P, Van Loon LR, Koch S, Alt-Epping P, Reich T, Churakov SV
Reactive transport modeling of diffusive mobility and retention of TcO₄⁻ in Opalinus clay
Applied Clay Science. 2024; 251: 107327 (8 pp.). https://doi.org/10.1016/j.clay.2024.107327
DORA PSI

Chen Y, de Lima LM, Li Z, Ma B, Lothenbach B, Yin S, et al.
Synthesis, solubility and thermodynamic properties of N-A-S-H gels with various target Si/Al ratios
Cement and Concrete Research. 2024; 180: 107484 (12 pp.). https://doi.org/10.1016/j.cemconres.2024.107484
DORA PSI

Churakov SV, Claret F, Idiart A, Jacques D, Govaerts J, Kolditz O, et al.
Position paper on high fidelity simulations for coupled processes, multi-physics and chemistry in geological disposal of nuclear waste
Environmental Earth Sciences. 2024; 83(17): 521 (16 pp.). https://doi.org/10.1007/s12665-024-11832-7
DORA PSI

Claret F, Prasianakis NI, Baksay A, Lukin D, Pepin G, Ahusborde E, et al.
EURAD state-of-the-art report: development and improvement of numerical methods and tools for modeling coupled processes in the field of nuclear waste disposal
Frontiers in Nuclear Engineering. 2024; 3: 1437714 (53 pp.). https://doi.org/10.3389/fnuen.2024.1437714
DORA PSI

Collin M, Prentice DP, Geddes D, Provis JL, Ellison K, Balonis M, et al.
Thermochemical data and phase equilibria of halide (Cl⁻, Br⁻, I⁻) containing AFm and hydrotalcite compounds
Journal of the American Ceramic Society. 2024; 107(5): 3562-3576. https://doi.org/10.1111/jace.19665
DORA PSI

Dabarera A, Fernández R, Provis JL
A systematic review of engineering properties of magnesium potassium phosphate cement as a repair material
Frontiers in Materials. 2024; 11: 1451079 (18 pp.). https://doi.org/10.3389/fmats.2024.1451079
DORA PSI

Damiani LH, Kosakowski G, Vinsot A, Churakov SV
Hydrogen gas transfer between a borehole and claystone: experiment and geochemical model
Environmental Geotechnics. 2024; 11(3): 180-193. https://doi.org/10.1680/jenge.21.00061
DORA PSI

Gimmi T, Aschwanden L, Waber HN, Gaucher EC, Ma J, Traber D
Profiles of δ¹⁸O and δ²H in porewater of a Mesozoic rock sequence: Regional variability and relation to large-scale transport regimes
Applied Geochemistry. 2024; 160: 105846 (13 pp.). https://doi.org/10.1016/j.apgeochem.2023.105846
DORA PSI

Glaus MA, Van Loon LR, Wüst RAJ
Diffusion of HTO, ³⁶Cl and ²²Na in the Mesozoic rocks of northern Switzerland. II: data interpretation in terms of an electrical double layer model
Applied Geochemistry. 2024; 162: 105842 (9 pp.). https://doi.org/10.1016/j.apgeochem.2023.105842
DORA PSI

Goethals J, De Windt L, Miron GD, Wittebroodt C, Abdelouas A
Anoxic corrosion of carbon steel in high pH cementitious media and high temperature conditions: new insights on the formation of (Fe,Al)Si-hydrogarnet corrosion product
Corrosion Science. 2024; 237: 112318 (18 pp.). https://doi.org/10.1016/j.corsci.2024.112318
DORA PSI

Gysi AP, Hurtig NC, Han HJ, Kindall EC, Guo X, Kulik DA, et al.
Reaction calorimetry and structural crystal properties of non-ideal binary rhabdophane solid solutions (Ce_1−xREE_xPO₄·nH₂O)
Geochimica et Cosmochimica Acta. 2024. https://doi.org/10.1016/j.gca.2024.04.034
DORA PSI

Hauser J, Miron GD, Kyas S, Leal AMM, Gunning J
Towards a model-based interpretation of measurements of mineralogical and chemical compositions
Mathematical Geosciences. 2024; 56: 1285-1302. https://doi.org/10.1007/s11004-023-10121-6
DORA PSI

He X, Song X, Peng H, Yuan H
A lattice Boltzmann study of the thermodynamics of an interaction between two cavitation bubbles
Discrete and Continuous Dynamical Systems-Series S. 2024; 17(11): 3252-3277. https://doi.org/10.3934/dcdss.2023156
DORA PSI

He X, Peng H
Contact-point analysis of attached-wall cavitation evolution on chemically patterned surfaces using the lattice Boltzmann method
Chemical Engineering Science. 2024; 287: 119753 (16 pp.). https://doi.org/10.1016/j.ces.2024.119753
DORA PSI

He X, Peng H
Modeling inception and evolution of near-wall vapor thermo-cavitation bubbles via a lattice Boltzmann method
International Journal of Hydrogen Energy. 2024; 49(Part B): 828-849. https://doi.org/10.1016/j.ijhydene.2023.09.092
DORA PSI

Hu G, Miron GD, Pfingsten W, Dähn R
Digital twin and surrogate model for long-term geochemical processes in nuclear waste management
In: Decontamination and decommissioning, radiation protection, and waste management. Vol. 8. Danvers, MA: American Society of Mechanical Engineers (ASME); 2024:135796 (7 pp.). https://doi.org/10.1115/ICONE31-135796
DORA PSI

Hu G, Prasianakis N, Churakov SV, Pfingsten W
Performance analysis of data-driven and physics-informed machine learning methods for thermal-hydraulic processes in Full-scale Emplacement experiment
Applied Thermal Engineering. 2024; 245: 122836 (17 pp.). https://doi.org/10.1016/j.applthermaleng.2024.122836
DORA PSI

Ingold P, Weibel G, Wanner C, Gimmi T, Churakov SV
Hydrological and geochemical properties of bottom ash landfills
Environmental Earth Sciences. 2024; 83(6): 180 (15 pp.). https://doi.org/10.1007/s12665-024-11471-y
DORA PSI

Jenni A, Gimmi T, Mäder U
Coupling of porosity and diffusive transport in highly reactive systems: open issues of reactive transport modelling
Applied Geochemistry. 2024; 170: 106076 (12 pp.). https://doi.org/10.1016/j.apgeochem.2024.106076
DORA PSI

Jin H, Ghazizadeh S, Provis JL
Thermodynamic modelling of alkali-silica reactions in blended cements
Cement and Concrete Research. 2024; 181: 107543 (13 pp.). https://doi.org/10.1016/j.cemconres.2024.107543
DORA PSI

Jordan N, Thoenen T, Spahiu K, Kelling J, Starke S, Brendler V
A critical review of the solution chemistry, solubility, and thermodynamics of europium: recent advances on the Eu(III) hydrolysis
Coordination Chemistry Reviews. 2024; 510: 215702 (22 pp.). https://doi.org/10.1016/j.ccr.2024.215702
DORA PSI

Jäger T, Mokos A, Prasianakis NI, Leyer S
Validating the transition criteria from the Cassie-Baxter to the Wenzel state for periodically pillared surfaces with lattice Boltzmann simulations
ACS Omega. 2024; 9(9): 10592-10601. https://doi.org/10.1021/acsomega.3c08862
DORA PSI

Katheras AS, Karalis K, Krack M, Scheinost AC, Churakov SV
Computational study on the octahedral surfaces of magnetite nanoparticles and their solvent interaction
Environmental Science and Technology. 2024; 58(47): 21068-21076. https://doi.org/10.1021/acs.est.4c06531
DORA PSI

Katheras AS, Karalis K, Krack M, Scheinost AC, Churakov SV
Stability and speciation of hydrated magnetite {111} surfaces from ab initio simulations with relevance for geochemical redox processes
Environmental Science and Technology. 2024; 58: 935-946. https://doi.org/10.1021/acs.est.3c07202
DORA PSI

Khatoonabadi M, Prasianakis NI, Mantzaras J
A pore-level 3D lattice Boltzmann simulation of mass transport and reaction in catalytic particles used for methane synthesis
International Journal of Heat and Mass Transfer. 2024; 221: 125025 (16 pp.). https://doi.org/10.1016/j.ijheatmasstransfer.2023.125025
DORA PSI

Kriven WM, Leonelli C, Provis JL, Boccaccini AR, Attwell C, Ducman VS, et al.
Why geopolymers and alkali-activated materials are key components of a sustainable world: a perspective contribution
Journal of the American Ceramic Society. 2024; 107(8): 5159-5177. https://doi.org/10.1111/jace.19828
DORA PSI

Li M, Zhu X, Zhang Y, Tsang DCW
A multi-phase mechanical model of biochar–cement composites at the mesoscale
Computer-aided Civil and Infrastructure Engineering. 2024; 39(23): 3552-3572. https://doi.org/10.1111/mice.13307
DORA PSI

Lothenbach B, Nedyalkova L, Wieland E, Mäder U, Rojo H, Tits J
Sorption of Se(VI) and Se(IV) on AFm phases
Applied Geochemistry. 2024; 175: 106177 (15 pp.). https://doi.org/10.1016/j.apgeochem.2024.106177
DORA PSI

Ma B, Provis JL, Wang D, Kosakowski G
The essential role of cement-based materials in a radioactive waste repository
npj Materials Sustainability. 2024; 2: 21 (8 pp.). https://doi.org/10.1038/s44296-024-00025-9
DORA PSI

Maes N, Churakov S, Glaus M, Baeyens B, Dähn R, Grangeon S, et al.
EURAD state-of-the-art report on the understanding of radionuclide retention and transport in clay and crystalline rocks
Frontiers in Nuclear Engineering. 2024; 3: 1417827 (69 pp.). https://doi.org/10.3389/fnuen.2024.1417827
DORA PSI

Marques Fernandes M, Mazurek M, Wersin P, Wüst R, Baeyens B
Cation-exchange properties of the Mesozoic sedimentary sequence of Northern Switzerland and modelling of the Opalinus Clay porewater
Applied Geochemistry. 2024; 162: 105852 (13 pp.). https://doi.org/10.1016/j.apgeochem.2023.105852
DORA PSI

Marsh ATM, Brown AP, Freeman HM, Neumann A, Walkley B, Pendlowski H, et al.
Mineralogical characteristics influence the structure and pozzolanic reactivity of thermally and mechano-chemically activated meta-kaolinites
Journal of Materials Chemistry A. 2024; 12(36): 24260-24277. https://doi.org/10.1039/d4ta02545h
DORA PSI

Mitchell RL, Holwell A, Provis JL, Yorkshire A, Kearney S
3D automated mineralogical classification, characterization and quantification of blended Portland cements using X-ray microscopy, deep learning, and AI
In: Celio G, LeBeau J, Evans J, Spurgeon S, Guy N, eds. 2024 proceedings microcospy and microanalysis. Vol. 30. Microscopy and Microanalysis. Oxford University Press; 2024:411-413. https://doi.org/10.1093/mam/ozae044.188
DORA PSI

Mitchell RL, Holwell A, Torelli G, Provis J, Selvaranjan K, Geddes D, et al.
Cements and concretes materials characterisation using machine-learning-based reconstruction and 3D quantitative mineralogy via X-ray microscopy
Journal of Microscopy. 2024; 294: 137-145. https://doi.org/10.1111/jmi.13278
DORA PSI

Mokos A, Sato Y, Niceno B, Churakov SV, Prasianakis NI
Nucleate boiling within a fuel assembly affected by CRUD
In: Zoia A, Diop CM, Saikali E, eds. Joint international conference on supercomputing in nuclear applications + Monte Carlo (SNA + MC 2024). Vol. 302. EPJ Web of Conferences. EDP Sciences; 2024:03003 (7 pp.). https://doi.org/10.1051/epjconf/202430203003
DORA PSI

Mokos A, Patel RA, Karalis K, Churakov SV, Prasianakis NI
Surface controlled mechanism of water boiling for nuclear reactor fuel assembly
International Journal of Heat and Mass Transfer. 2024; 230: 125747 (15 pp.). https://doi.org/10.1016/j.ijheatmasstransfer.2024.125747
DORA PSI

Pan R, Gysi AP, Miron GD, Zhu C
Optimized thermodynamic properties of REE aqueous species (REE³⁺ and REEOH²⁺) and experimental database for modeling the solubility of REE phosphate minerals (monazite, xenotime, and rhabdophane) from 25 to 300 °C
Chemical Geology. 2024; 643: 121817 (21 pp.). https://doi.org/10.1016/j.chemgeo.2023.121817
DORA PSI

Pang L, Wang D, Wang Q
Utilizing spodumene slag as a supplementary cementitious material: a quantitative study
Journal of Building Engineering. 2024; 98: 111384 (19 pp.). https://doi.org/10.1016/j.jobe.2024.111384
DORA PSI

Paterson JR, Abdullayev E, Kuszynski EP, Hamidi MD, Nahar P, Greenwell HC, et al.
Evaluation of the antibacterial properties of commonly used clays from deposits in central and southern Asia
Clays and Clay Minerals. 2024; 72: e9 (12 pp.). https://doi.org/10.1017/cmn.2024.7
DORA PSI

Peng H, Fei L, He X, Carmeliet J, Churakov SV, Prasianakis NI
Three-dimensional modelling of cavitation bubble collapse using non-orthogonal multiple-relaxation-time lattice Boltzmann method
Ocean Engineering. 2024; 294: 116720 (19 pp.). https://doi.org/10.1016/j.oceaneng.2024.116720
DORA PSI

Perrot A, Jacquet Y, Caron JF, Mesnil R, Ducoulombier N, De Bono V, et al.
Snapshot on 3D printing with alternative binders and materials: earth, geopolymers, gypsum and low carbon concrete
Cement and Concrete Research. 2024; 185: 107651(18 pp.). https://doi.org/10.1016/j.cemconres.2024.107651
DORA PSI

Pothanamkandathil V, Neumann A, Thompson A, Gorski CA
Redox properties of structural Fe in clay minerals: 4. Reinterpreting redox curves by accounting for electron transfer and structural rearrangement kinetics
Environmental Science and Technology. 2024; 58: 19702-19713. https://doi.org/10.1021/acs.est.4c07835
DORA PSI

Prasianakis NI
AI-enhanced X-ray diffraction analysis: towards real-time mineral phase identification and quantification
IUCrJ. 2024; 11(Pt 5): 647-648. https://doi.org/10.1107/S2052252524008157
DORA PSI

Provis JL, Putra Jaya R, Napoli A, Kanellopoulos A
Editorial: 2022 Retrospective: structural materials
Frontiers in Materials. 2024; 11: 1401396 (2 pp.). https://doi.org/10.3389/fmats.2024.1401396
DORA PSI

Provis JL
Material durability, material failure, and material investment - the complexity of concrete
Communications Engineering. 2024; 3(1): 23 (3 pp.). https://doi.org/10.1038/s44172-024-00172-w
DORA PSI

Provis JL, Bernal SA, Zhang Z
The decarbonization of construction—How can alkali-activated materials contribute?
Engineering. 2024; 37: 18-21. https://doi.org/10.1016/j.eng.2023.09.014
DORA PSI

Qian Y, Scheinost AC, Grangeon S, Hoving A, Churakov SV, Marques Fernandes M
Influence of structural Fe content in clay minerals on selenite redox reactions: kinetics and structural transformations
Geochimica et Cosmochimica Acta. 2024; 377: 19-33. https://doi.org/10.1016/j.gca.2024.05.012
DORA PSI

Qu F, Zhang Y, Zhu X, Xu W, Poon CS, Li W, et al.
Roles of wood waste biochar for chloride immobilization in GGBS-blended cement composites
Construction and Building Materials. 2024; 411: 134389 (15 pp.). https://doi.org/10.1016/j.conbuildmat.2023.134389
DORA PSI

Roza-Llera A, Di Lorenzo F, Churakov SV, Jiménez A, Fernández-Díaz L
Pb removal efficiency by calcium carbonates: biogenic versus abiogenic materials
Crystal Growth and Design. 2024; 24(1): 79-92. https://doi.org/10.1021/acs.cgd.3c00517
DORA PSI

Sarraf F, Hadian A, Gfeller F, Churakov SV, Clemens F
Crosslinking and pyrolysis of a methyl-silsesquioxane: Effect of heating rate on fabrication of polymer derived mullite ceramics using thermoplastic shaping
Materials and Design. 2024; 237: 112578 (13 pp.). https://doi.org/10.1016/j.matdes.2023.112578
DORA PSI

Sreenivasan H, Bernard E, Santos HS, Nguyen H, Moukannaa S, Adediran A, et al.
A critical review of magnesium silicate hydrate (M-S-H) phases for binder applications
Cement and Concrete Research. 2024; 178: 107462 (27 pp.). https://doi.org/10.1016/j.cemconres.2024.107462
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Stefanini L, Walkley B, Provis JL
Basic oxygen furnace (BOF) slag as an additive in sodium carbonate-activated slag cements
Materials and Structures. 2024; 57(7): 153 (14 pp.). https://doi.org/10.1617/s11527-024-02425-8
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Stefanini L, Ansari D, Walkley B, Provis JL
Characterisation of calcined waste clays from kaolinite extraction in alkali-activated GGBFS blends
Materials Today Communications. 2024; 38: 107777 (17 pp.). https://doi.org/10.1016/j.mtcomm.2023.107777
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Tits J, Curti E, Laube A, Wieland E, Provis JL
Sorption of ³²Si and ⁴⁵Ca by isotopic exchange during recrystallisation of cement phases
Applied Geochemistry. 2024; 173: 106117 (15 pp.). https://doi.org/10.1016/j.apgeochem.2024.106117
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Van Laer L, Aertsens M, Maes N, Van Loon LR, Glaus MA, Wüst RAJ
Diffusion of HTO, ³⁶Cl and ²²Na in the Mesozoic rocks of Northern Switzerland: III. Cross-lab comparison of diffusion measurements on argillaceous twin samples
Applied Geochemistry. 2024; 160: 105840 (10 pp.). https://doi.org/10.1016/j.apgeochem.2023.105840
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Vigor JE, Prentice DP, Xiao X, Bernal SA, Provis JL
The pore structure and water absorption in Portland/slag blended hardened cement paste determined by synchrotron X-ray microtomography and neutron radiography
RSC Advances. 2024; 14(7): 4389-4405. https://doi.org/10.1039/D3RA06489A
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Wang D, Ma B, Pang L, Wang Q
Alkali-activated blast furnace ferronickel slag for Cr immobilization
Cement and Concrete Composites. 2024; 150: 105560 (10 pp.). https://doi.org/10.1016/j.cemconcomp.2024.105560
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Wang L, Nerella VN, Li D, Zhang Y, Ma B, Ivaniuk E, et al.
Biochar-augmented climate-positive 3D printable concrete
Communications Materials. 2024; 5: 257 (10 pp.). https://doi.org/10.1038/s43246-024-00700-3
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Wang L, Xia Y, Zhang Y, Guo B, Sun C, Ma B, et al.
Introducing reactive magnesia to activate chloride/sulfate in waste incinerator fly ash for immobilization of potentially toxic elements
ACS Sustainable Chemistry and Engineering. 2024; 12: 9602-9611. https://doi.org/10.1021/acssuschemeng.4c00522
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Wei X, Shi X, Yang M, Tan Q, Xu Z, Ma B, et al.
Phosphate and illite colloid pose a synergistic risk of enhanced uranium transport in groundwater: a challenge for phosphate immobilization remediation of uranium contaminated environmental water
Water Research. 2024; 255: 121514 (10 pp.). https://doi.org/10.1016/j.watres.2024.121514
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Wolffers M, Kulik DA, Miron G-D, Eggenberger U, Churakov SV
Thermodynamic model of MSWI flue gas cooling path: Effect of flue gas composition on heavy metal binding forms
Waste Management and Research. 2024; 42(3): 273-284. https://doi.org/10.1177/0734242X231178213
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Xia Y, Shi D, Wang J, Zhao Y, Liu M, Yu K, et al.
Effects of colemanite, heavy aggregates and lead fibers on physical mechanics and radiation shielding properties of high-performance radiation shielding concrete
Journal of Building Engineering. 2024; 96: 110496 (24 pp.). https://doi.org/10.1016/j.jobe.2024.110496
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Yang Y, Patel RA, Prasianakis NI, Churakov SV, Deissmann G, Bosbach D
Elucidating the role of water films on solute diffusion in unsaturated porous media by improved pore-scale modeling
Vadose Zone Journal. 2024; 23(3): e20321 (14 pp.). https://doi.org/10.1002/vzj2.20321
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Yang Q, He X, Peng H
Lattice Boltzmann modelling of multicomponent and multiphase flow with high density ratio
European Journal of Mechanics: B/Fluids. 2024; 105: 14-24. https://doi.org/10.1016/j.euromechflu.2023.12.014
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Yang Y, Churakov SV, Patel RA, Prasianakis N, Deissmann G, Bosbach D, et al.
Pore-scale modeling of water and ion diffusion in partially saturated clays
Water Resources Research. 2024; 60(1): e2023WR035595 (23 pp.). https://doi.org/10.1029/2023WR035595
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Zhang Y, Zhu X, Ma B, Wang L, Yan J, Tsang DCW
Insights into microstructural alterations in alkali-activated materials incorporating municipal solid waste incineration fly ash
Construction and Building Materials. 2024; 425: 136129 (11 pp.). https://doi.org/10.1016/j.conbuildmat.2024.136129
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Zwahlen C, Gimmi T, Jenni A, Kiczka M, Mazurek M, Van Loon LR, et al.
Chloride accessible porosity fractions across the Jurassic sedimentary rocks of northern Switzerland
Applied Geochemistry. 2024; 162: 105841 (14 pp.). https://doi.org/10.1016/j.apgeochem.2023.105841
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Adams DJ, Churakov SV
Classification of perovskite structural types with dynamical octahedral tilting
IUCrJ. 2023; 10: 309-320. https://doi.org/10.1107/S2052252523002208
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Bernard E, Nguyen H, Kawashima S, Lothenbach B, Manzano H, Provis J, et al.
MgO‐based cements – current status and opportunities
RILEM Technical Letters. 2023; 8: 65-78. https://doi.org/10.21809/rilemtechlett.2023.177
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Caron R, Patel RA, Miron GD, Le Galliard C, Lothenbach B, Dehn F
Microstructure development of slag activated with sodium silicate solution: experimental characterization and thermodynamic modeling
Journal of Building Engineering. 2023; 71: 106398 (18 pp.). https://doi.org/10.1016/j.jobe.2023.106398
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Chen P, Churakov SV, Glaus M, Van Loon LR
Impact of Fe(II) on ⁹⁹Tc diffusion behavior in illite
Applied Geochemistry. 2023; 156: 105759 (9 pp.). https://doi.org/10.1016/j.apgeochem.2023.105759
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Chen Y, Miranda de Lima L, Li Z, Ma B, Lothenbach B, Ying S, et al.
Synthesis, characterization and solubility of sodium aluminosilicate hydrate (N-A-S-H) gel
In: Further reduction of CO2-emission and circularity in the cement and concrete industry. Vol. 2. Duesseldorf: ICCC Permanent Secretariat; 2023:294-297.
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Chidiac TJ, Ukrainczyk N, Prentice DP, Provis JL
Probabilistic service life prediction of alkali activated concretes exposed to chloride induced corrosion
Journal of Advanced Concrete Technology. 2023; 21(12): 1020-1035. https://doi.org/10.3151/jact.21.1020
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Filella M, Hummel W
"Where to find equilibrium constants?" is now continuously updated and open
Journal of Solution Chemistry. 2023; 52(12): 1329-1330. https://doi.org/10.1007/s10953-023-01324-w
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He X, Peng H, Zhang J
A lattice Boltzmann investigation of liquid viscosity effects on the evolution of a cavitation bubble attached to chemically patterned walls
Physics of Fluids. 2023; 35(9): 093303 (15 pp.). https://doi.org/10.1063/5.0169239
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He X, Song X, Zhang J, Peng H, Zhou S
Deciphering surface tension effects of double cavitation bubbles interaction: a lattice Boltzmann study
International Journal of Thermal Sciences. 2023; 189: 108266 (21 pp.). https://doi.org/10.1016/j.ijthermalsci.2023.108266
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He X, Song X, Peng H, Huang W, Zhang J
Heat flux characteristics during growth and collapse of wall-attached cavitation bubbles with different wall wettability: a lattice Boltzmann study
Ocean Engineering. 2023; 276: 114261 (15 pp.). https://doi.org/10.1016/j.oceaneng.2023.114261
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He X, Peng H, Zhang J, Yuan H
Thermodynamics of the inception and interactions of multiple laser-produced cavitation bubbles using the lattice Boltzmann method
Computers and Fluids. 2023; 252: 105771 (21 pp.). https://doi.org/10.1016/j.compfluid.2022.105771
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He X, Peng H, Zhang J, Liu Y
Wall wettability effects on the collapse of the attached vapor cavitation bubble with a thermal lattice Boltzmann method
International Communications in Heat and Mass Transfer. 2023; 140: 106529 (20 pp.). https://doi.org/10.1016/j.icheatmasstransfer.2022.106529
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Hu G, Pfingsten W
Data-driven machine learning for disposal of high-level nuclear waste: a review
Annals of Nuclear Energy. 2023; 180: 109452 (10 pp.). https://doi.org/10.1016/j.anucene.2022.109452
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Hu G, Pfingsten W
Machine learning-assisted heat transport modelling for full-scale emplacement experiment at Mont Terri underground laboratory
International Journal of Heat and Mass Transfer. 2023; 213: 124290 (22 pp.). https://doi.org/10.1016/j.ijheatmasstransfer.2023.124290
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Jacques D, Kolditz O, Szőke I, Churakov SV, Garcia D, Laloy E, et al.
Digitalization and digital twins in long term management of radioactive waste
In: Lo Frano R, Monken Fernandes H, eds. Proceedings of ASME 2023 international conference on environmental remediation and radioactive waste management (ICEM 2023). New York, NY: American Society of Mechanical Engineers (ASME); 2023:110268 (8 pp.). https://doi.org/10.1115/ICEM2023-110268
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Jäger T, Keup J, Prasianakis NI, Leyer S
Theoretical and numerical constant mean curvature surface and liquid entry pressure calculations for a combined pillar-pore structure
Coatings. 2023; 13(5): 865 (18 pp.). https://doi.org/10.3390/coatings13050865
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Kolditz O, Jacques D, Claret F, Bertrand J, Churakov SV, Debayle C, et al.
Digitalisation for nuclear waste management: predisposal and disposal
Environmental Earth Sciences. 2023; 82(1): 42 (11 pp.). https://doi.org/10.1007/s12665-022-10675-4
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Krejci P, Gimmi T, Van Loon LR, Glaus M
Relevance of diffuse-layer, Stern-layer and interlayers for diffusion in clays: a new model and its application to Na, Sr, and Cs data in bentonite
Applied Clay Science. 2023; 244: 107086 (12 pp.). https://doi.org/10.1016/j.clay.2023.107086
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Marques Fernandes M, Klinkenberg M, Baeyens B, Bosbach D, Brandt F
Adsorption of Ba and ²²⁶Ra on illite: a comparative experimental and modelling study
Applied Geochemistry. 2023; 159: 105815 (18 pp.). https://doi.org/10.1016/j.apgeochem.2023.105815
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Mazurek M, Gimmi T, Zwahlen C, Aschwanden L, Gaucher EC, Kiczka M, et al.
Swiss deep drilling campaign 2019-2022: geological overview and rock properties with focus on porosity and pore-space architecture
Applied Geochemistry. 2023; 159: 105839 (18 pp.). https://doi.org/10.1016/j.apgeochem.2023.105839
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Miron GD, Leal AMM, Dmytrieva SV, Kulik DA
ThermoFun: A C++/Python library for computing standard thermodynamic properties of substances and reactions across wide ranges of temperatures and pressures
Journal of Open Source Software. 2023; 8(83): 4624 (5 pp.). https://doi.org/10.21105/joss.04624
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Mundra S, Tits J, Wieland E, Angst UM
Aerobic and anaerobic oxidation of ferrous ions in near-neutral solutions
Chemosphere. 2023; 335: 138955 (12 pp.). https://doi.org/10.1016/j.chemosphere.2023.138955
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Owusu JP, Karalis K, Prasianakis NI, Churakov SV
Diffusion and gas flow dynamics in partially saturated smectites
Journal of Physical Chemistry C. 2023; 127(29): 14425-14438. https://doi.org/10.1021/acs.jpcc.3c02264
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Poonoosamy J, Obaied A, Deissmann G, Prasianakis NI, Kindelmann M, Wollenhaupt B, et al.
Microfluidic investigation of pore-size dependency of barite nucleation
Communications Chemistry. 2023; 6: 250 (12 pp.). https://doi.org/10.1038/s42004-023-01049-3
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Qian Y, Scheinost AC, Grangeon S, Greneche J-M, Hoving A, Bourhis E, et al.
Oxidation state and structure of Fe in nontronite: from oxidizing to reducing conditions
ACS Earth and Space Chemistry. 2023; 7(10): 1868-1881. https://doi.org/10.1021/acsearthspacechem.3c00136
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Sarraf F, Churakov SV, Clemens F
Preceramic polymers for additive manufacturing of silicate ceramics
Polymers. 2023; 15(22): 4360 (29 pp.). https://doi.org/10.3390/polym15224360
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Van Loon LR, Bunic P, Frick S, Glaus MA, Wüst RAJ
Diffusion of HTO, ³⁶Cl and ²²Na in the Mesozoic rocks of northern Switzerland: I. effective diffusion coefficients and capacity factors across the heterogeneous sediment sequences
Applied Geochemistry. 2023; 159: 105843 (15 pp.). https://doi.org/10.1016/j.apgeochem.2023.105843
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Wei X, Pan D, Tan Q, Shi X, Hou J, Tang Q, et al.
Surface charge property governing co-transport of illite colloids and Eu(III) in saturated porous media
Chinese Chemical Letters. 2023; 34(11): 108275 (7 pp.). https://doi.org/10.1016/j.cclet.2023.108275
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Wersin P, Gimmi T, Ma J, Mazurek M, Zwahlen C, Aschwanden L, et al.
Porewater profiles of Cl and Br in boreholes penetrating the Mesozoic sequence in northern Switzerland
Applied Geochemistry. 2023; 159: 105845 (14 pp.). https://doi.org/10.1016/j.apgeochem.2023.105845
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Wieland E, Miron GD, Ma B, Geng G, Lothenbach B
Speciation of iron(II/III) at the iron-cement interface: a review
Materials and Structures. 2023; 56(2): 31 (24 pp.). https://doi.org/10.1617/s11527-023-02115-x
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Yan Y, Bernard E, Miron GD, Rentsch D, Ma B, Scrivener K, et al.
Kinetics of Al uptake in synthetic calcium silicate hydrate (C-S-H)
Cement and Concrete Research. 2023; 172: 107250 (39 pp.). https://doi.org/10.1016/j.cemconres.2023.107250
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Yang S, Liu D, Yang Z, Xu J, Li Y
Experimental insight into the dissolution behavior and interaction of key components in shale-persulfate system
Gas Science and Engineering. 2023; 110: 204867 (11 pp.). https://doi.org/10.1016/j.jgsce.2022.204867
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Yang Z, Ning Y, Wang C, Yang S, Zhang W, Dähn R, et al.
The sensitive mobility of Cr in ashes studied by SiO₂-Al₂O₃-Fe₂O₃-CaO system
Environmental Pollution. 2023; 321: 121091 (10 pp.). https://doi.org/10.1016/j.envpol.2023.121091
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Zhu X, Zhang Y, Chen L, Wang L, Ma B, Li J, et al.
Bonding mechanisms and micro-mechanical properties of the interfacial transition zone (ITZ) between biochar and paste in carbon-sink cement-based composites
Cement and Concrete Composites. 2023; 139: 105004 (11 pp.). https://doi.org/10.1016/j.cemconcomp.2023.105004
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Çevirim-Papaioannou N, Androniuk I, Miron GD, Altmaier M, Gaona X
Beryllium solubility and hydrolysis in dilute to concentrated CaCl₂ solutions: thermodynamic description in cementitious systems
Frontiers in Nuclear Engineering. 2023; 2: 1192463 (10 pp.). https://doi.org/10.3389/fnuen.2023.1192463
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Altmaier M, Bertrand J, Churakov S, Diomidis N
Long-term radionuclide retention in the near field: collaborative R&D studies within EURAD focusing on container optimisation, mobility, mechanisms and monitoring
EPJ Nuclear Sciences and Technologies. 2022; 8: 27 (12 pp.). https://doi.org/10.1051/epjn/2022022
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Asaad A, Hubert F, Dazas B, Razafitianamaharavo A, Brunet J, Glaus MA, et al.
A baseline study of mineralogical and morphological properties of different size fractions of illite du Puy
Applied Clay Science. 2022; 224: 106517 (12 pp.). https://doi.org/10.1016/j.clay.2022.106517
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Cametti G, Roos DP, Prieur D, Scheinost AC, Churakov SV
Pb_x(OH)_y cluster formation and anomalous thermal behaviour in STI framework-type zeolites
Scientific Reports. 2022; 12(1): 15934 (12 pp.). https://doi.org/10.1038/s41598-022-20317-1
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Cametti G, Nagashima M, Churakov SV
Role of lone-pair electron localization in temperature-induced phase transitions in mimetite
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2022; 78: 618-626. https://doi.org/10.1107/S2052520622006254
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Chen P, Van Loon LR, Fernandes M do SM, Churakov S
Sorption mechanism of Fe(II) on illite: sorption and modelling
Applied Geochemistry. 2022; 143: 105389 (8 pp.). https://doi.org/10.1016/j.apgeochem.2022.105389
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Claret F, Dauzeres A, Jacques D, Sellin P, Cochepin B, De Windt L, et al.
Modelling of the long-term evolution and performance of engineered barrier system
EPJ Nuclear Sciences and Technologies. 2022; 8: 41 (15 pp.). https://doi.org/10.1051/epjn/2022038
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Geng G, Shi Z, Lothenbach B, Leemann A, Wieland E, Dähn R
A micro-XAS and XRD study of the crystalline alkali-silica reaction products
In: Lopes Batista A, Santos Silva A, Fernandes I, Oliveira Santos L, Custódio J, Serra C, eds. Proceedings of the 16th international conference on alkali-aggregate reaction in concrete (ICAAR). Vol. 1. Lisboa: Laboratório Nacional de Engenharia Civil (LNEC); 2022:15-23.
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Gimmi T, Fleury M, Mazurek M
Porewater content, pore structure and water mobility in clays and shales from NMR methods
Clays and Clay Minerals. 2022; 70: 417-437. https://doi.org/10.1007/s42860-022-00195-4
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Giordani M, Ballirano P, Pacella A, Meli MA, Roselli C, Di Lorenzo F, et al.
Another potentially hazardous zeolite from Northern Italy: fibrous mordenite
Minerals. 2022; 12(5): 627 (17 pp.). https://doi.org/10.3390/min12050627
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Guillemot T, Salazar G, Rauber M, Kunz D, Szidat S, Wieland E
Carbon-14 release and speciation during corrosion of irradiated steel under radioactive waste disposal conditions
Science of the Total Environment. 2022; 817: 152596 (9 pp.). https://doi.org/10.1016/j.scitotenv.2021.152596
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He X, Peng H, Zhang J, Yuan H
Multiple vapor cavitation bubble interactions with a thermal lattice Boltzmann method
Ocean Engineering. 2022; 266: 113058 (19 pp.). https://doi.org/10.1016/j.oceaneng.2022.113058
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He X, Yang Q, Peng H, Zhang J
Non-condensable gas bubble dissolution with a modified tunable surface tension multicomponent lattice Boltzmann model
Computers and Fluids. 2022; 233: 105252 (14 pp.). https://doi.org/10.1016/j.compfluid.2021.105252
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Izuo H, Nakarai K, Kulik DA
Twenty-two-year investigation of strength development and surface deterioration of cement-treated clay in an in-situ field test
Cement and Concrete Composites. 2022; 134: 104783 (10 pp.). https://doi.org/10.1016/j.cemconcomp.2022.104783
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Jordan N, Thoenen T, Starke S, Spahiu K, Brendler V
A critical review of the solution chemistry, solubility, and thermodynamics of europium: recent advances on the Eu³⁺ aqua ion and the Eu(III) aqueous complexes and solid phases with the sulphate, chloride, and phosphate inorganic ligands
Coordination Chemistry Reviews. 2022; 473: 214608 (36 pp.). https://doi.org/10.1016/j.ccr.2022.214608
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Jäger T, Mokos A, Prasianakis NI, Leyer S
Pore-level multiphase simulations of realistic distillation membranes for water desalination
Membranes. 2022; 12(11): 1112 (22 pp.). https://doi.org/10.3390/membranes12111112
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Khatoonabadi M, Prasianakis IN, Mantzaras J
Lattice Boltzmann modeling and simulation of velocity and concentration slip effects on the catalytic reaction rate of strongly nonequimolar reactions in microflows
Physical Review E. 2022; 106(6): 065305 (16 pp.). https://doi.org/10.1103/PhysRevE.106.065305
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Kulik DA, Miron GD, Lothenbach B
A structurally-consistent CASH+ sublattice solid solution model for fully hydrated C-S-H phases: thermodynamic basis, methods, and Ca-Si-H₂O core sub-model
Cement and Concrete Research. 2022; 151: 106585 (21 pp.). https://doi.org/10.1016/j.cemconres.2021.106585
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Liu X, Tournassat C, Grangeon S, Kalinichev AG, Takahashi Y, Marques Fernandes M
Molecular-level understanding of metal ion retention in clay-rich materials
Nature Reviews Earth & Environment. 2022; 3: 461-476. https://doi.org/10.1038/s43017-022-00301-z
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Mahrous M, Curti E, Churakov SV, Prasianakis NI
Petrophysical initialization of core-scale reactive transport simulations on Indiana limestones: pore-scale characterization, spatial autocorrelations, and representative elementary volume analysis
Journal of Petroleum Science and Engineering. 2022; 213: 110389 (21 pp.). https://doi.org/10.1016/j.petrol.2022.110389
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Mattioli M, Ballirano P, Pacella A, Cangiotti M, Di Lorenzo F, Valentini L, et al.
Fibrous ferrierite from northern Italy: mineralogical characterization, surface properties, and assessment of potential toxicity
Minerals. 2022; 12(5): 626 (24 pp.). https://doi.org/10.3390/min12050626
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Metzler R, Rajyaguru A, Berkowitz B
Modelling anomalous diffusion in semi-infinite disordered systems and porous media
New Journal of Physics. 2022; 24(12): 123004 (13 pp.). https://doi.org/10.1088/1367-2630/aca70c
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Miron GD, Kulik DA, Lothenbach B, Tits J
A new CASH+ solid solution model for cation uptake in cementitious materials used in wastemanagement
Presented at: NUWCEM 2022 - international symposium on cement-based materials for nuclear wastes; May 4-6, 2022; Avignon.
DORA PSI

Miron GD, Kulik DA, Yan Y, Tits J, Lothenbach B
Extensions of CASH+ thermodynamic solid solution model for the uptake of alkali metals and alkaline earth metals in C-S-H
Cement and Concrete Research. 2022; 152: 106667 (27 pp.). https://doi.org/10.1016/j.cemconres.2021.106667
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Miron GD, Kulik DA, Lothenbach B
Porewater compositions of Portland cement with and without silica fume calculated using the fine-tuned CASH+NK solid solution model
Materials and Structures. 2022; 55(8): 212 (13 pp.). https://doi.org/10.1617/s11527-022-02045-0
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Mokos A, Violeau D, Sarret F, De Leffe M, Bercovitz Y
SPH modelling of the water nappe gravity fall over a dam
Journal of Hydraulic Research. 2022; 60(4): 606-618. https://doi.org/10.1080/00221686.2021.2022029
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Nedyalkova L, Tits J, Renaudin G, Wieland E, Mäder U, Lothenbach B
Mechanisms and thermodynamic modelling of iodide sorption on AFm phases
Journal of Colloid and Interface Science. 2022; 608: 683-691. https://doi.org/10.1016/j.jcis.2021.09.104
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Owusu JP, Karalis K, Prasianakis NI, Churakov SV
Mobility of dissolved gases in smectites under saturated conditions: effects of pore size, gas types, temperature, and surface interaction
Journal of Physical Chemistry C. 2022; 126(40): 17441-17455. https://doi.org/10.1021/acs.jpcc.2c05678
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Pearce BBJ, Deutsch L, Fry P, Marafatto FF, Lieu J
Going beyond the AHA! moment: insight discovery for transdisciplinary research and learning
Humanities and Social Sciences Communications. 2022; 9(1): 123 (10 pp.). https://doi.org/10.1057/s41599-022-01129-0
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Peng Y, He X, Peng H, Lin Y, Zhang J
Mesoscopic modeling of vapor cavitation bubbles collapse and interaction in near-wall region with a pseudopotential lattice Boltzmann method
Physics of Fluids. 2022; 34(9): 092012 (16 pp.). https://doi.org/10.1063/5.0099989
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Sarraf F, Hadian A, Churakov SV, Clemens F
EVA-PVA binder system for polymer derived mullite made by material extrusion based additive manufacturing
Journal of the European Ceramic Society. 2022; 42: 530-541. https://doi.org/10.1016/j.jeurceramsoc.2022.10.009
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Stockmann M, Fritsch K, Bok F, Fernandes MM, Baeyens B, Steudtner R, et al.
New insights into U(VI) sorption onto montmorillonite from batch sorption and spectroscopic studies at increased ionic strength
Science of the Total Environment. 2022; 806(2): 150653 (13 pp.). https://doi.org/10.1016/j.scitotenv.2021.150653
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Voegelin A, Wick S, Pfenninger N, Mangold S, Baeyens B, Marques Fernandes M
Thallium adsorption onto phyllosilicate minerals
Environmental Science: Processes and Impacts. 2022; 24(9): 1343-1359. https://doi.org/10.1039/D2EM00028H
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Wang K, Fernandez Martinez A, Simonelli L, Madé B, Hénocq P, Ma B, et al.
Redox interaction between selenite and mackinawite in cement pore water
Environmental Science and Technology. 2022; 56(9): 5602-5610. https://doi.org/10.1021/acs.est.2c00901
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Wersin P, Mazurek M, Gimmi T
Porewater chemistry of Opalinus Clay revisited: findings from 25 years of data collection at the Mont Terri Rock Laboratory
Applied Geochemistry. 2022; 138: 105234 (12 pp.). https://doi.org/10.1016/j.apgeochem.2022.105234
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Yan Y, Ma B, Miron GD, Kulik DA, Scrivener K, Lothenbach B
Al uptake in calcium silicate hydrate and the effect of alkali hydroxide
Cement and Concrete Research. 2022; 162: 106957 (17 pp.). https://doi.org/10.1016/j.cemconres.2022.106957
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Yan Y, Lothenbach B, Miron GD, Scrivener K
Effect of alkali hydroxide on calcium silicate hydrate (C-S-H)
Presented at: NUWCEM 2022 - international symposium on cement-based materials for nuclear wastes; May 4-6, 2022; Avignon.
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Yan Y, Yang S-Y, Miron GD, Collings IE, L'Hôpital E, Skibsted J, et al.
Effect of alkali hydroxide on calcium silicate hydrate (C-S-H)
Cement and Concrete Research. 2022; 151: 106636 (22 pp.). https://doi.org/10.1016/j.cemconres.2021.106636
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Yang Q, He X, Peng H, Zhang J
Wall wettability effect on process of collapse of single cavitation bubbles in near-wall region using pseudo-potential lattice Boltzmann method
Heliyon. 2022; 8(12): e12636 (15 pp.). https://doi.org/10.1016/j.heliyon.2022.e12636
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Zhang Y, He M, Wang L, Yan J, Ma B, Zhu X, et al.
Biochar as construction materials for achieving carbon neutrality
Biochar. 2022; 4(1): 59 (25 pp.). https://doi.org/10.1007/s42773-022-00182-x
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Zhang Y, Wan Z, Wang L, Guo B, Ma B, Chen L, et al.
Designing magnesium phosphate cement for stabilization/solidification of Zn-Rich electroplating sludge
Environmental Science and Technology. 2022; 56(13): 9398-9407. https://doi.org/10.1021/acs.est.2c01450
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Adams DJ, Wang L, Steinle-Neumann G, Passerone D, Churakov SV
Anharmonic effects on the dynamics of solid aluminium from ab initio simulations
Journal of Physics: Condensed Matter. 2021; 33(17): 175501 (8 pp.). https://doi.org/10.1088/1361-648X/abc972
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Bernier F, Rey H, Govers K, De Clercq O, Pochet G, Surkova M, et al.
SITEX.Network benchmark on safety case reviewing approaches
Presented at: International conference on radioactive waste management: solutions for a sustainable future; November 1-5, 2021; Vienna , Austria.
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Cametti G, Scheinost AC, Churakov SV
Cd²⁺ incorporation in small-pore LEV/ERI intergrown zeolites: a multi-methodological study
Microporous and Mesoporous Materials. 2021; 313: 110835 (11 pp.). https://doi.org/10.1016/j.micromeso.2020.110835
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Cramer K, Prasianakis NI, Niceno B, Ihli J, Holler M, Leyer S
Three-dimensional membrane imaging with X-ray ptychography: determination of membrane transport properties for membrane distillation
Transport in Porous Media. 2021; 138: 265-284. https://doi.org/10.1007/s11242-021-01603-4
DORA PSI

Dan Miron G, Kulik DA, Lothenbach B
Incremental parameterisation of cash+ sublattice solid solution model against recent data for Na, K, and Al uptake in C-S-H
In: Pichler BLA, McDonald PJ, Lothenbach B, Scrivener K, Bortolotti V, Ben Haha M, eds. ERICA CASH II final conference. Wien: Technische Universität Wien; 2021:53-54.
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Detilleux V, Swahn J, Miksova J, Pellegrini D, Pfingsten W, Zeleznik N
SITEX_network for the development of sustainable and independent technical expertise on radioactive waste management: general overview of the network and its interactions with civil society
In: Challenges faced by technical and scientific support organizations (TSOs) in enhancing nuclear safety and security: ensuring effective and sustainable expertise. Proceedings series. Vienna: International Atomic Energy Agency (IAEA); 2021:93-97.
DORA PSI

Di Lorenzo F, Arnold T, Churakov SV
Pb²⁺ uptake by magnesite: the competition between thermodynamic driving force and reaction kinetics
Minerals. 2021; 11(4): 415 (18 pp.). https://doi.org/10.3390/min11040415
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Di Lorenzo F, Steiner K, Churakov SV
The effect of pH, ionic strength and the presence of Pb^II on the formation of calcium carbonate from homogenous alkaline solutions at room temperature
Minerals. 2021; 11(7): 783 (15 pp.). https://doi.org/10.3390/min11070783
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Dähn R, Baeyens B, Fernandes MM
Zn uptake by illite and argillaceous rocks
Geochimica et Cosmochimica Acta. 2021; 312: 180-193. https://doi.org/10.1016/j.gca.2021.07.001
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Geng G, Barbotin S, Shakoorioskooie M, Shi Z, Leemann A, Sanchez DF, et al.
An in-situ 3D micro-XRD investigation of water uptake by alkali-silica-reaction (ASR) product
Cement and Concrete Research. 2021; 141: 106331 (8 pp.). https://doi.org/10.1016/j.cemconres.2020.106331
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Glaus MA, Frick S, Van Loon LR
Competitive effects of cations on the diffusion properties of strongly sorbing trace cations in compacted illite and Opalinus Clay
ACS Earth and Space Chemistry. 2021; 5(10): 2621-2625. https://doi.org/10.1021/acsearthspacechem.1c00250
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Huang Y, Shao H, Wieland E, Kolditz O, Kosakowski G
Two-phase transport in a cemented waste package considering spatio-temporal evolution of chemical conditions
npj Materials Degradation. 2021; 5(1): 4 (14 pp.). https://doi.org/10.1038/s41529-021-00150-z
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Jaquenoud M, Elam WT, Grundl T, Gimmi T, Jakob A, Schefer S, et al.
In-situ X-ray fluorescence to investigate iodide diffusion in opalinus clay: demonstration of a novel experimental approach
Chemosphere. 2021; 269: 128674 (11 pp.). https://doi.org/10.1016/j.chemosphere.2020.128674
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Karalis K, Zahn D, Prasianakis NI, Niceno B, Churakov SV
Deciphering the molecular mechanism of water boiling at heterogeneous interfaces
Scientific Reports. 2021; 11(1): 19858 (10 pp.). https://doi.org/10.1038/s41598-021-99229-5
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Khatoonabadi M, Safi MA, Prasianakis NI, Roth J, Mantzaras J, Kirov N, et al.
Insights on the interaction of serpentine channels and gas diffusion layer in an operating polymer electrolyte fuel cell: numerical modeling across scales
International Journal of Heat and Mass Transfer. 2021; 181: 121859 (13 pp.). https://doi.org/10.1016/j.ijheatmasstransfer.2021.121859
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Khatoonabadi M, Prasianakis NI, Mantzaras J
Lattice Boltzmann model with generalized wall boundary conditions for arbitrary catalytic reactivity
Physical Review E. 2021; 103(6): 063303 (13 pp.). https://doi.org/10.1103/PhysRevE.103.063303
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Kiselev D, Baumann P, Duperrex P, Jollet S, Kettle P-R, Knecht A, et al.
Progress and challenges of the PSI meson targets and relevant systems
In: Endo H, ed. Proceedings of the 3rd J-PARC symposium (J-PARC2019). Vol. 33. JPS conference proceedings. Tokio: Physical Society of Japan; 2021:011102 (8 pp.). https://doi.org/10.7566/JPSCP.33.011102
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Klinkenberg M, Brandt F, Baeyens B, Bosbach D, Fernandes MM
Adsorption of barium and radium on montmorillonite: a comparative experimental and modelling study
Applied Geochemistry. 2021; 135: 105117 (11 pp.). https://doi.org/10.1016/j.apgeochem.2021.105117
DORA PSI

Krattiger N, Lothenbach B, Churakov SV
Sorption and electrochemical properties of ASR products and C-S-H: a comparative modelling study
In: Pichler BLA, McDonald PJ, Lothenbach B, Scrivener K, Bortolotti V, Ben Haha M, eds. ERICA CASH II final conference. Wien: Technische Universität Wien; 2021:69-70.
DORA PSI

Krattiger N, Lothenbach B, Churakov SV
Sorption and electrokinetic properties of ASR product and C-S-H: a comparative modelling study
Cement and Concrete Research. 2021; 146: 106491 (11 pp.). https://doi.org/10.1016/j.cemconres.2021.106491
DORA PSI

Krejci P, Gimmi T, Van Loon LR
On the concentration-dependent diffusion of sorbed cesium in Opalinus Clay
Geochimica et Cosmochimica Acta. 2021; 298: 149-166. https://doi.org/10.1016/j.gca.2021.01.012
DORA PSI

Kulik DA, Winnefeld F, Kulik A, Miron GD, Lothenbach B
CemGEMS – an easy-to-use web application for thermodynamic modeling of cementitious materials
RILEM Technical Letters. 2021; 6: 36-52. https://doi.org/10.21809/rilemtechlett.2021.140
DORA PSI

Leemann A, Bagheri M, Lothenbach B, Scrivener K, Barbotin S, Boehm-Courjault E, et al.
Alkali-silica reaction - a multidisciplinary approach
RILEM Technical Letters. 2021; 6: 169-187. https://doi.org/10.21809/RILEMTECHLETT.2021.151
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