Interactions between clay portions with various contacts and subjected to specific environmental conditions

Zheng, Yuanyuan; Zaoui, A.; Pasteau, Antoine

doi:10.1016/j.apsusc.2013.11.138

Cited by 9 publications

(2 citation statements)

References 35 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…To describe the Montmorillonite (001)/calcite (104) interface, we have developed existing models for calcite and clay by adding terms describing the interatomic interactions between constituents of calcite and clay at the interface. We have used the ClayFF potential model 37 , well tested for clays 38 39 40 41 42 43 44 45 46 47 48 49 and the Xiao forcefield for calcite 50 , that we have previously used in the analysis of bulk and surface state of calcite rock 51 . This is a new forcefield taking into account the aqueous environment using the TIP3P water model 52 .…”

Section: Methods Summarymentioning

confidence: 99%

Can clays ensure nuclear waste repositories?

Zaoui

Sekkal

2015

Sci Rep

Self Cite

View full text Add to dashboard Cite

Research on argillite as a possible host rock for nuclear waste disposal is still an open subject since many issues need to be clarified. In the Underground Research Laboratories constructed for this purpose, a damaged zone around the excavation has been systematically observed and characterized by the appearance of micro-fissures. We analyse here -at nanoscale level- the calcite/clay assembly, the main constituents of argillite, under storage conditions and show the fragility of the montmorillonite with respect to calcite. Under anisotropic stress, we have observed a shear deformation of the assembly with the presence of broken bonds in the clay mineral, localised in the octahedral rather than the tetrahedral layers. The stress/strain curve leads to a failure strength point at 18.5 MPa. The obtained in-plane response of the assembly to perpendicular deformation is characterized by smaller perpendicular moduli Ez = 48.28 GPa compared to larger in-plane moduli Ex = 141.39 GPa and Ey = 134.02 GPa. Our calculations indicate the instability of the assembly without water molecules at the interface in addition to an important shear deformation.

show abstract

Section: Methods Summarymentioning

confidence: 99%

Can clays ensure nuclear waste repositories?

Zaoui

Sekkal

2015

Sci Rep

Self Cite

View full text Add to dashboard Cite

show abstract

“…Some of our previous works have been devoted to clay systems in order to understand the swelling and shrinking behaviors [6,7], the diffusion of cations in interlayer space [8,9], the thermodynamic and mechanical properties of clays [10][11][12][13], the interaction between radionucleides and clay surface [14,15] and pressure effect on the clay portions [16]. More recent studies have addressed the mechanical properties of nanocomposites using experiment and classical approaches [17,18] as well as molecular dynamics simulations [19].…”

Section: Molecular Dynamics (Md) Studies Of Interactions Among Constimentioning

confidence: 99%