LES Publication List (since 2018)

  • 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
  • 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
  • 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 (Ce1−xREExPO4·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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • Adams DJ, Churakov SV
    Classification of perovskite structural types with dynamical octahedral tilting
    IUCrJ. 2023; 10: 309-320. https://doi.org/10.1107/S2052252523002208
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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.
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • Cametti G, Roos DP, Prieur D, Scheinost AC, Churakov SV
    Pbx(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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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.
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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.
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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.
    DORA PSI
  • 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
    DORA PSI
  • 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.
    DORA PSI
  • 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
    DORA PSI
  • Di Lorenzo F, Steiner K, Churakov SV
    The effect of pH, ionic strength and the presence of PbII 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • Ma B, Fernandez-Martinez A, Mancini A, Lothenbach B
    Spectroscopic investigations on structural incorporation pathways of FeIII into zeolite frameworks in cement-relevant environments
    Cement and Concrete Research. 2021; 140: 106304 (14 pp.). https://doi.org/10.1016/j.cemconres.2020.106304
    DORA PSI
  • Maier M-L, Patel RA, Prasianakis NI, Churakov SV, Nirschl H, Krause MJ
    Coupling of multiscale lattice Boltzmann discrete-element method for reactive particle fluid flows
    Physical Review E. 2021; 103(3): 033306 (15 pp.). https://doi.org/10.1103/PhysRevE.103.033306
    DORA PSI