With the use of grand-canonical molecular dynamics simulations, we studied the slow compression (... more With the use of grand-canonical molecular dynamics simulations, we studied the slow compression (0.01m/s) of liquid films made of pure hexane and hexadecane, and of an equimolar mixture of the two alkanes, confined between two opposing crystalline gold surfaces. The organization of the density of the confined films into layered structures, intra-layer ordering in the interfacial layers, orientational order parameters, diffusion coefficients, and force versus gap-size profiles, recorded during slow compressions of the above systems, are analyzed and compared. The longer chain molecule preferentially adsorb to the solid surfaces, resulting in size-induced segregation near the solid-liquid interfaces. As a result, the slow compression (reducing the gap-size, d) causes preferential separation of the hexadecane/hexane mixture, from 50:50 at d = 3.6 nm to 80:20 at d =1.7 nm, with the longer chains of the hexadecane molecules crystallizing into ordered layers between the opposing gold surfaces.
Recent research on qualitative reasoning has focussed on representing and reasoning about events ... more Recent research on qualitative reasoning has focussed on representing and reasoning about events that occur repeatedly. Allen's interval algebra has been modified to model events that are collections of convex intervals—a non-convex interval. Using the modified version of Allen's algebra, constraint-based algorithms have been investigated for finding feasible relations in a network of non-convex intervals. In this paper, we propose to model recurring events as multi-point events by extending Vilain and Kautz's point algebra. We then propose an exact algorithm (based on van Beck's exact algorithm) for finding feasible relations for multi-point event networks. The complexity of our method is compared with previously known results both for recurring and nonrecurring events. We identify the special cases for which our multi-point based algorithm can find exact solution. Finally, we summarise our paper with brief discussion on ongoing and future research.
International Journal of Theoretical Physics, 2004
With a suitable gauge transformation, the Hamiltonian formalism of the Landau–Lifschitz equation ... more With a suitable gauge transformation, the Hamiltonian formalism of the Landau–Lifschitz equation for a spin chain with an easy plane is established by standard procedure. Action-angle variables are obtained and the canonical equation is given.
With the use of grand-canonical molecular dynamics simulations, we studied the slow compression (... more With the use of grand-canonical molecular dynamics simulations, we studied the slow compression (0.01m/s) of liquid films made of pure hexane and hexadecane, and of an equimolar mixture of the two alkanes, confined between two opposing crystalline gold surfaces. The organization of the density of the confined films into layered structures, intra-layer ordering in the interfacial layers, orientational order parameters, diffusion coefficients, and force versus gap-size profiles, recorded during slow compressions of the above systems, are analyzed and compared. The longer chain molecule preferentially adsorb to the solid surfaces, resulting in size-induced segregation near the solid-liquid interfaces. As a result, the slow compression (reducing the gap-size, d) causes preferential separation of the hexadecane/hexane mixture, from 50:50 at d = 3.6 nm to 80:20 at d =1.7 nm, with the longer chains of the hexadecane molecules crystallizing into ordered layers between the opposing gold surfaces.
Recent research on qualitative reasoning has focussed on representing and reasoning about events ... more Recent research on qualitative reasoning has focussed on representing and reasoning about events that occur repeatedly. Allen's interval algebra has been modified to model events that are collections of convex intervals—a non-convex interval. Using the modified version of Allen's algebra, constraint-based algorithms have been investigated for finding feasible relations in a network of non-convex intervals. In this paper, we propose to model recurring events as multi-point events by extending Vilain and Kautz's point algebra. We then propose an exact algorithm (based on van Beck's exact algorithm) for finding feasible relations for multi-point event networks. The complexity of our method is compared with previously known results both for recurring and nonrecurring events. We identify the special cases for which our multi-point based algorithm can find exact solution. Finally, we summarise our paper with brief discussion on ongoing and future research.
International Journal of Theoretical Physics, 2004
With a suitable gauge transformation, the Hamiltonian formalism of the Landau–Lifschitz equation ... more With a suitable gauge transformation, the Hamiltonian formalism of the Landau–Lifschitz equation for a spin chain with an easy plane is established by standard procedure. Action-angle variables are obtained and the canonical equation is given.
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