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  • 1
    Electronic Resource
    Electronic Resource
    Transient coexisting nanophases in ultrathin films confined between corrugated walls (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 10824-10832 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Grand-canonical Monte Carlo and microcanonical molecular dynamics methods have been used to simulate an ultrathin monatomic film confined to a slit-pore [i.e., between solid surfaces (walls)]. Both walls comprise atoms rigidly fixed in the face centered cubic (100) configuration; one wall is smooth on a nanoscale and the other is corrugated (i.e., scored with regularly spaced rectilinear grooves one to several nanometers wide). Properties of the film have been computed as a function of the lateral alignment (registry), with the temperature, chemical potential, and distance between the walls kept constant. Changing the registry carries the film through a succession of equilibrium states, ranging from all solid at one extreme to all fluid at the other. Over a range of intermediate registries the film consists of fluid and solid portions in equilibrium, that is fluid-filled nanocapillaries separated by solid strips. The range of registries over which such fluid–solid equilibria exist depends upon the width of the grooves and the frequency of the corrugation. For grooves of width comparable to the range of the interatomic potential, fluid and solid phases cease to coexist. In the limit of very wide grooves the character of the film is similar to that of the film confined by strictly smooth walls. The rich phase behavior of the confined film due to the coupling between molecular (registry) and nano (corrugation) scales has obvious implications for boundary lubrication. © 1994 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.467831
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  • 2
    Electronic Resource
    Electronic Resource
    Thermodynamics of a fluid confined to a slit pore with structured walls (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 100 (1994), S. 9140-9146 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In this article we extend our previous thermodynamic analysis of films confined to slit pores with smooth walls (i.e., plane–parallel solid surfaces without molecular structure) to the situation in which the walls themselves possess structure. Structured-wall models are frequently employed to interpret experiments performed with the surface forces apparatus (SFA), in which thin films (1–10 molecular diameters thick) are subjected to shear stress by moving the walls laterally over one another at constant temperature, chemical potential, and normal stress or load. The periodic structure of the walls is reflected in a periodic variation of the shear stress with the lateral alignment (i.e., shear strain) of the walls. We demonstrate by means of a solvable two-dimensional model that the molecular length scale imposed by the structure of the walls precludes the derivation of a simple mechanical expression for the grand potential analogous to that which holds in the smooth-wall case. This conclusion is borne out by the results of a grand-canonical Monte Carlo simulation of the three-dimensional prototypal model consisting of a Lennard-Jones (12,6) fluid confined between fcc (100) walls. Criteria for the thermodynamic stability of thin films confined by structured walls are derived and applied to the SFA.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.466668
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  • 3
    Electronic Resource
    Electronic Resource
    On the effect of dielectric saturation on the swelling of clays (1992)
    s.l. : American Chemical Society
    Langmuir 8 (1992), S. 1026-1029 
    Details
    ISSN: 1520-5827
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/la00039a047
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  • 4
    Electronic Resource
    Electronic Resource
    Structure of a model lubricant in a mica slit pore (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 2400-2406 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Grand canonical ensemble Monte Carlo computer simulations are used to study a monolayer octamethylcyclotetrasiloxane (OMCTS) film confined between micalike surfaces to better understand the relationship between fluid properties and the atomic structure of the surfaces. OMCTS packs as a well ordered hexagonally close-packed film for all relative alignments of the surfaces. The orientation of the fluid lattice is guided by the mica surfaces. The angle between the symmetry planes of the fluid and the hexagonal oxygen rings on the mica surfaces is approximately 30°. The coupling between OMCTS and the confining mica surfaces is shown to be intermediate in that (1) the film sustains a shear stress and (2) the hexagonal symmetry of the film becomes distorted when the surfaces are out of registry but the film does not melt. Incrementally shifting one of the surfaces laterally leads to periodic distortions in the fluid lattice that are caused by the fluid being stretched to accommodate variations in the pore space potential energy. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.482055
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