Comparison of proton field-cycling relaxometry and molecular dynamics simulations for proton–water surface dynamics in cement-based materials

Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field

Randall T. Cygan, Jian-Jie Liang, Andrey G. Kalinichev · The Journal of Physical Chemistry B · 2004 · 3.1K citations

Natural Sciences, Chemistry, Earth Sciences +17

Molecular Dynamics Modeling of Chloride Binding to the Surfaces of Calcium Hydroxide, Hydrated Calcium Aluminate, and Calcium Silicate Phases

Andrey G. Kalinichev, R. James Kirkpatrick · Chemistry of Materials · 2002 · 293 citations

Natural Sciences, Chemistry, Materials Science +15

Molecular dynamics modeling of the structure, dynamics and energetics of mineral–water interfaces: Application to cement materials

Andrey G. Kalinichev, Jianwei Wang, R. James Kirkpatrick · Cement and Concrete Research · 2006 · 282 citations

Natural Sciences, Materials Engineering, Materials Science +16

Tobermorites; their real structure and order-disorder (OD) character

Stefanο Merlino, Elena Bonaccorsi, Thomas Armbruster · American Mineralogist · 1999 · 281 citations

Natural Sciences, Materials Science, Crystal Structure +9

Microstructure and texture of hydrated cement-based materials: A proton field cycling relaxometry approach

Jean‐Pierre Korb, L. Monteilhet, P. J. McDonald et al. · Cement and Concrete Research · 2006 · 111 citations

Engineering, Materials Engineering, Materials Science +10