Adsorption of Lennard-Jones fluids in carbon slit pores of a finite length. A computer simulation study

The adsorption of simple Lennard-Jones fluids in a carbon slit pore of finite length was studied with Canonical Ensemble (NVT) and Gibbs Ensemble Monte Carlo Simulations (GEMC). The Canonical Ensemble was a collection of cubic simulation boxes in which a finite pore resides, while the Gibbs Ensemble was that of the pore space of the finite pore. Argon was used as a model for Lennard-Jones fluids, while the adsorbent was modelled as a finite carbon slit pore whose two walls were composed of three graphene layers with carbon atoms arranged in a hexagonal pattern. The Lennard-Jones (LJ) 12-6 potential model was used to compute the interaction energy between two fluid particles, and also between a fluid particle and a carbon atom. Argon adsorption isotherms were obtained at 87.3 K for pore widths of 1.0, 1.5 and 2.0 nm using both Canonical and Gibbs Ensembles. These results were compared with isotherms obtained with corresponding infinite pores using Grand Canonical Ensembles. The effects of the number of cycles necessary to reach equilibrium, the initial allocation of particles, the displacement step and the simulation box size were particularly investigated in the Monte Carlo simulation with Canonical Ensembles. Of these parameters, the displacement step had the most significant effect on the performance of the Monte Carlo simulation. The simulation box size was also important, especially at low pressures at which the size must be sufficiently large to have a statistically acceptable number of particles in the bulk phase. Finally, it was found that the Canonical Ensemble and the Gibbs Ensemble both yielded the same isotherm (within statistical error); however, the computation time for GEMC was shorter than that for canonical ensemble simulation. However, the latter method described the proper interface between the reservoir and the adsorbed phase (and hence the meniscus).

Maintaining human agency in the design on context-aware systems: Design games in a dental surgery

This paper describes a series of design games, specifically aimed at exploring shifts in human agency in order to inform the design of context-aware applications. The games focused on understanding information handling issues in dental practice with participants from a university dental school playing an active role in the activities. Participatory design activities help participants to reveal potential implicit technical resources that can be presented explicitly in technologies in order to assist humans in managing their interactions with and amidst technical systems gracefully.

Usability of a mobile, group communication prototype while rendezvousing

Mobile phones are increasingly being used collaboratively by social networks of users in spite of the fact that they are primarily designed to support single users and one-to-one communication. It is not well understood how services such as group SMS, SMS-based discussion lists and mobile instant messaging (IM) will be used by mobile groups in natural settings. Studying specific instances of common styles of in situ, group interaction may provide a way to see behavior patterns and typical interaction problems. We conducted a study of a mobile, group communication probe used during a rendezvousing activity in an urban environment. Usability problems relating to group usage, phone interface design and context were identified. Several major issues included: multitasking during message composition and reading; speed of text entry; excessive demand on visual attention; and ambiguity of intended recipients. We suggest that existing mobile device designs are overly-focused on individual users to the detriment of usability for mobile groups of users. We provide recommendations for the design of future mobile, group interfaces, used in similar situations to those explored here

Using the Amazon metric to construct an image database based on what people do, not what they say

Current image database metadata schemas require users to adopt a specific text-based vocabulary. Text-based metadata is good for searching but not for browsing. Existing image-based search facilities, on the other hand, are highly specialised and so suffer similar problems. Wexelblat's semantic dimensional spatial visualisation schemas go some way towards addressing this problem by making both searching and browsing more accessible to the user in a single interface. But the question of how and what initial metadata to enter a database remains. Different people see different things in an image and will organise a collection in equally diverse ways. However, we can find some similarity across groups of users regardless of their reasoning. For example, a search on Amazon.com returns other products also, based on an averaging of how users navigate the database. In this paper, we report on applying this concept to a set of images for which we have visualised them using traditional methods and the Amazon.com method. We report on the findings of this comparative investigation in a case study setting involving a group of randomly selected participants. We conclude with the recommendation that in combination, the traditional and averaging methods would provide an enhancement to current database visualisation, searching, and browsing facilities.