%0 Journal Article %T Production of H2 by water radiolysis in cement paste under electron irradiation: A joint experimental and theoretical study %+ Laboratoire Interdisciplinaire sur l'Organisation Nanométrique et Supramoléculaire (LIONS) %+ Institut Jean Lamour (IJL) %+ Department of Civil and Environmental Engineering [Cambridge] (CEE) %+ Multi-Scale Material Science for Energy and Environment ((MSC)2 UMI3466 CNRS-MIT) %+ Centre Interdisciplinaire de Nanoscience de Marseille (CINaM) %+ Queen's University [Belfast] (QUB) %+ Laboratoire Structure et Dynamique par Résonance Magnétique (LCF) (LSDRM) %+ Laboratoire Archéomatériaux et Prévision de l'Altération (LAPA - UMR 3685) %+ IRAMAT - Laboratoire Métallurgies et Cultures (IRAMAT - LMC) %+ Cullen college of Engineering %A Le Caër, Sophie, A %A Dezerald, Lucile, A %A Boukari, Khaoula, A %A Lainé, Maxime, A %A Taupin, Sébastien, A %A Kavanagh, Ryan M. %A Johnston, Conrad S.N. %A Foy, Eddy, A %A Charpentier, Thibault %A Krakowiak, Konrad J. %A Pellenq, Roland J.-M %A Ulm, Franz J. %A Tribello, Gareth A. %A Kohanoff, Jorge, A %A Saúl, Andres, A %Z NEEDS MIPOR and NEEDS Déchets programs %Z Schlumberger-MIT cement research collaboration X-Cem %Z EPSRC grant EP-K013459/1 %< avec comité de lecture %@ 0008-8846 %J Cement and Concrete Research %I Elsevier %V 100 %P 110 - 118 %8 2017-06-15 %D 2017 %R 10.1016/j.cemconres.2017.05.022 %K Reaction mechanisms %K First-principles calculations %K H 2 production %K Radiolysis %K Cement paste %Z Chemical Sciences/Material chemistryJournal articles %X Long-term confinement of nuclear waste is one of the main challenges faced by the nuclear industry. Fission products such as 90 Sr and 137 Cs, both β − emitters known to induce serious health hazards, represent the largest fraction of nuclear waste. Cement is a good candidate to store them, provided it can resist the effects of irradiation over time. Here, we have investigated the effects of β − decay on cement by performing electron irradiation experiments on different samples. We show that H 2 production in cement, the main effect of water radiolysis, depends strongly on composition and relative humidity. First-principles calculations indicate that the water-rich interlayer regions with Ca 2+ ions act as electron traps that promote the formation of H 2. They also show that holes localize in water-rich regions in low Ca content samples and are then able to participate in H 2 production. This work provides new understanding of radiolysis effects in cements. %G English %L cea-01543011 %U https://cea.hal.science/cea-01543011 %~ CEA %~ CNRS %~ UNIV-AMU %~ UNIV-BM %~ UNIV-ORLEANS %~ UNIV-BM-THESE %~ PUBNIMBE %~ UNIV-LORRAINE %~ INC-CNRS %~ IRAMIS-NIMBE %~ CEA-UPSAY %~ IJL-UL %~ UNIV-PARIS-SACLAY %~ CINAM %~ CEA-UPSAY-SACLAY %~ UNIV-BORDEAUX-MONTAIGNE %~ TEST-HALCNRS %~ CEB-LMC %~ GS-ENGINEERING %~ IRAMIS %~ GS-CHIMIE %~ GS-HUMANITIES-HERITAGE %~ GS-PHYSIQUE %~ INSTITUT-SCIENCES-LUMIERE %~ TEST2-HALCNRS %~ IJL-303