Advances in atomistic modeling and understanding of drying shrinkage in cementitious materials
Despite more than a century of research, drying shrinkage still causes unwanted stresses
and cracks in our concrete infrastructures. This is partly due to the lack of understanding of …
and cracks in our concrete infrastructures. This is partly due to the lack of understanding of …
Advances in clayff molecular simulation of layered and nanoporous materials and their aqueous interfaces
As a general-purpose force field for molecular simulations of layered materials and their fluid
interfaces, Clayff continues to see broad usage in atomistic computational modeling for …
interfaces, Clayff continues to see broad usage in atomistic computational modeling for …
Ion exchange selectivity in clay is controlled by nanoscale chemical–mechanical coupling
Ion exchange in nanoporous clay-rich media plays an integral role in water, nutrient, and
contaminant storage and transport. In montmorillonite (MMT), a common clay mineral in …
contaminant storage and transport. In montmorillonite (MMT), a common clay mineral in …
Swelling of montmorillonite from molecular simulations: Hydration diagram and confined water properties
L Brochard - The Journal of Physical Chemistry C, 2021 - ACS Publications
Swelling clays are known to exhibit crystalline swelling at the layer scale (∼ nm): X-ray
diffraction (XRD) identifies discrete jumps in interlayer spacing upon a change in relative …
diffraction (XRD) identifies discrete jumps in interlayer spacing upon a change in relative …
Extracting hydromechanical properties of montmorillonite quasi-crystals via nanoindentation of oriented thin films
This paper presents the first effort to extract the hydromechanical properties of
montmorillonite quasi-crystals via nanoindentation testing of highly oriented montmorillonite …
montmorillonite quasi-crystals via nanoindentation testing of highly oriented montmorillonite …
In situ polymerization of styrene–clay nanocomposites and their properties
L Mrah, R Meghabar - Polymer Bulletin, 2021 - Springer
This work focuses on the preparation and characterization of polystyrene/organoclay
nanocomposites. The effects of the nature of the organoclays and the method of preparation …
nanocomposites. The effects of the nature of the organoclays and the method of preparation …
Mechanical properties and pore network connectivity of sodium montmorillonite as predicted by a coarse-grained molecular model
The study of ionic transport through hydrated sodium montmorillonite (Na-MMT)—the main
swelling component of bentonite—is of significant interest to better understand its ability to …
swelling component of bentonite—is of significant interest to better understand its ability to …
Clay nanolayer encapsulation, evolving from origins of life to future technologies
JO Fossum - The European Physical Journal Special Topics, 2020 - Springer
Clays are the siblings of graphite and graphene/graphene-oxide. There are two basic ways
of using clays for encapsulation of sub-micron entities such as molecules, droplets, or …
of using clays for encapsulation of sub-micron entities such as molecules, droplets, or …
In Silico Design and Characterization of Graphene Oxide Membranes with Variable Water Content and Flake Oxygen Content
Graphene oxide (GO) membranes offer exceptional promise for certain aqueous separation
challenges, such as desalination. Central to unlocking this promise and optimizing …
challenges, such as desalination. Central to unlocking this promise and optimizing …
Smectite phase separation is driven by hydration-mediated interfacial charge
Smectite clay minerals have an outsize impact on the response of clay-rich media to
common stimuli, such as hydration and ion exchange, motivating extensive effort to …
common stimuli, such as hydration and ion exchange, motivating extensive effort to …