A Monte Carlo study of temperature-programmed desorption spectra with attractive lateral interactions

We present results of a Monte Carlo study of temperature-programmed desorption in a model system with attractive lateral interactions. It is shown that even for weak interactions there are large shifts of the peak maximum temperatures with initial coverage. The system has a transition temperature below which the desorption has a negative order. An analytical expression for this temperature is derived. The relation between the model and real systems is discussed.Comment: Accepted for publication in Phys.Rev.B15, 10 pages (REVTeX), 2 figures (PostScript); discussion about Xe/Pt(111) adde

Wigner crystallization in Na(3)Cu(2)O(4) and Na(8)Cu(5)O(10) chain compounds

We report the synthesis of novel edge-sharing chain systems Na(3)Cu(2)O(4) and Na(8)Cu(5)O(10), which form insulating states with commensurate charge order. We identify these systems as one-dimensional Wigner lattices, where the charge order is determined by long-range Coulomb interaction and the number of holes in the d-shell of Cu. Our interpretation is supported by X-ray structure data as well as by an analysis of magnetic susceptibility and specific heat data. Remarkably, due to large second neighbor Cu-Cu hopping, these systems allow for a distinction between the (classical) Wigner lattice and the 4k_F charge-density wave of quantum mechanical origin.Comment: 4 pages, 4 figure

Far-Infrared and Sub-Millimeter Observations and Physical Models of the Reflection Nebula Ced 201

ISO [C II] 158 micron, [O I] 63 micron, and H_2 9 and 17 micron observations are presented of the reflection nebula Ced 201, which is a photon-dominated region illuminated by a B9.5 star with a color temperature of 10,000 K (a cool PDR). In combination with ground based [C I] 609 micron, CO, 13CO, CS and HCO+ data, the carbon budget and physical structure of the reflection nebula are constrained. The obtained data set is the first one to contain all important cooling lines of a cool PDR, and allows a comparison to be made with classical PDRs. To this effect one- and three-dimensional PDR models are presented which incorporate the physical characteristics of the source, and are aimed at understanding the dominant heating processes of the cloud. The contribution of very small grains to the photo-electric heating rate is estimated from these models and used to constrain the total abundance of PAHs and small grains. Observations of the pure rotational H_2 lines with ISO, in particular the S(3) line, indicate the presence of a small amount of very warm, approximately 330 K, molecular gas. This gas cannot be accommodated by the presented models.Comment: 32 pages, 7 figures, in LaTeX. To be published in Ap

The use of implicit evidence for relevance feedback in web retrieval

In this paper we report on the application of two contrasting types of relevance feedback for web retrieval. We compare two systems; one using explicit relevance feedback (where searchers explicitly have to mark documents relevant) and one using implicit relevance feedback (where the system endeavours to estimate relevance by mining the searcher's interaction). The feedback is used to update the display according to the user's interaction. Our research focuses on the degree to which implicit evidence of document relevance can be substituted for explicit evidence. We examine the two variations in terms of both user opinion and search effectiveness

Image Delocalisation and High Resolution Transmission Electron Microscopic Imaging with a Field Emission Gun

The high spatial and temporal coherence of a field emission gun (FEG) increases the information limit of high-resolution transmission electron microscopes (HRTEM), but has also its implications on the localisation of the high resolution information in the image. In this paper, we present the results of a combined theoretical and experimental study of delocalisation in HRTEM. First, we derive a spatial frequency analysis of the delocalisation for crystal defects. Next, the delocalisation is studied from a real-space point of view, in terms of the impulse-response function, for which an instructive asymptotic mathematical analysis has been set up. Finally, we present experimental HRTEM images of crystal defects and of an amorphous Ge film, which are recorded with a Philips CM20 FEG electron microscope, and which illustrate the delocalisation phenomena

The geomorphological setting of some of Scotland's east coast freshwater mills: a comment on Downward and Skinner (2005) ‘Working rivers: the geomorphological legacy...’

Many of the water mills on Scotland's east coast streams, unlike those discussed recently by Downward and Skinner (2005 Area 37 138–47), are found in predominantly bedrock reaches immediately downstream of knickpoints (i.e. bedrock steps). Bedrock knickpoints in the lower reaches of Scottish rivers are a widespread fluvial response to the glacio-isostatic rebound of northern Britain. These steps in the river profile propagate headward over time, but for intervals of a few centuries or so they are sufficiently stable to be exploited for the elevational fall necessary to power the mill wheel. Many of these mills were apparently powered by ‘run-of-the-river’, as are some today that formerly had mill dams. The typical lack of sediment storage along the erosional lower reaches of many Scottish rivers means that failure of mill structures in Scotland will probably have less dramatic geomorphological and management implications than those suggested by Downward and Skinner for southern English rivers

Computational science and re-discovery: open-source implementations of ellipsoidal harmonics for problems in potential theory

We present two open-source (BSD) implementations of ellipsoidal harmonic expansions for solving problems of potential theory using separation of variables. Ellipsoidal harmonics are used surprisingly infrequently, considering their substantial value for problems ranging in scale from molecules to the entire solar system. In this article, we suggest two possible reasons for the paucity relative to spherical harmonics. The first is essentially historical---ellipsoidal harmonics developed during the late 19th century and early 20th, when it was found that only the lowest-order harmonics are expressible in closed form. Each higher-order term requires the solution of an eigenvalue problem, and tedious manual computation seems to have discouraged applications and theoretical studies. The second explanation is practical: even with modern computers and accurate eigenvalue algorithms, expansions in ellipsoidal harmonics are significantly more challenging to compute than those in Cartesian or spherical coordinates. The present implementations reduce the "barrier to entry" by providing an easy and free way for the community to begin using ellipsoidal harmonics in actual research. We demonstrate our implementation using the specific and physiologically crucial problem of how charged proteins interact with their environment, and ask: what other analytical tools await re-discovery in an era of inexpensive computation?Comment: 25 pages, 3 figure