The polymerization of acetylene on supported metal clusters

The polymerization of acetylene was studied by thermal programmed reaction on model catalysts consisting of size-selected Ag, Rh, and Pd atoms and Pdn (1 ≤ n ≤ 30) clusters on well-characterized MgO(111) thin films. In a single-pass heating cycle experiment, benzene, butadiene, and butane were catalyzed with different selectivities as function of cluster size: palladium and rhodium atoms selectively produce benzene, and the highest selectivity for butadiene is observed for Pd₆, whereas Pd₂₀ reveals the highest selectivity for butane. Ag atoms are inert. These results provide an atom-by-atom observation of the selectivity of small cluster catalysts

Optical absorption of small copper clusters in neon: Cu-n, (n=1-9)

We present optical absorption spectra in the UV-visible range (1.6 eV omega < 5.5 eV) of mass selected neutral copper clusters Cu-n(n = 1-9) embedded in a solid neon matrix at 7 K. The atom and the dimer have already been measured in neon matrices, while the absorption spectra for sizes between Cu-3 and Cu-9 are entirely (n = 6-9) or in great part new. They show a higher complexity and a larger number of transitions distributed over the whole energy range compared to similar sizes of silver clusters. The experimental spectra are compared to the time dependent density functional theory (TD-DFT) implemented in the TURBOMOLE package. The analysis indicates that for energies larger than 3 eV the transitions are mainly issued from d-type states; however, the TD-DFT scheme does not reproduce well the detailed structure of the absorption spectra. Below 3 eV the agreement for transitions issued from s-type states is better. (C) 2011 American Institute of Physics. [doi:10.1063/1.3552077

Ultraviolet-visible absorption of small silver clusters in neon: Ag-n (n=1-9)

We present optical absorption and fluorescence spectra in the UV-visible range of size selected neutral Ag-n clusters (n = 1-9) in solid neon. Rich and detailed optical spectra are found with linewidths as small as 50 meV. These spectra are compared to time dependent density functional theory implemented in the TURBOMOLE package. Excellent agreement between theory and experiment is achieved in particular for the dominant spectroscopic features at photon energies below 4.5 eV. This allows a clear attribution of the observed electronic transitions to specific isomers. Optical transitions associated to the s-electrons are concentrated in the energy range between 3 and 4 eV and well separated from transitions of the d-electrons. This is in contrast to the other coinage metals (Au and Cu) which show a strong coupling of the d-electrons. (C) 2011 American Institute of Physics. [doi:10.1063/1.3589357

UV-visible absorption of small gold clusters in neon: Au-n (n=1-5 and 7-9)

We present optical absorption spectra in the UV-visible range (1.5 eV < E < 6 eV) for mass selected neutral gold clusters Au-n (n = 1-5 and 7-9) embedded in solid Ne at 7 K. The experimental spectra are compared with time-dependent density functional calculations. Electronic transitions are distributed over the whole energy range without any concentration of the oscillator strength in a small energy window, characteristic for the more s-like metals such as the alkalis or silver. Contrary to the case of silver and partly copper clusters, transitions issued from mainly d-type states are significantly involved in low energy transitions. The measured integrated cross section is smaller (<20%) than expected from a free-electron system, manifesting the strong screening of the s electrons due to the proximity of the s and d levels in gold. (C) 2011 American Institute of Physics. [doi:10.1063/1.3537739

Historical roots of Agile methods: where did “Agile thinking” come from?

The appearance of Agile methods has been the most noticeable change to software process thinking in the last fifteen years [16], but in fact many of the “Agile ideas” have been around since 70’s or even before. Many studies and reviews have been conducted about Agile methods which ascribe their emergence as a reaction against traditional methods. In this paper, we argue that although Agile methods are new as a whole, they have strong roots in the history of software engineering. In addition to the iterative and incremental approaches that have been in use since 1957 [21], people who criticised the traditional methods suggested alternative approaches which were actually Agile ideas such as the response to change, customer involvement, and working software over documentation. The authors of this paper believe that education about the history of Agile thinking will help to develop better understanding as well as promoting the use of Agile methods. We therefore present and discuss the reasons behind the development and introduction of Agile methods, as a reaction to traditional methods, as a result of people's experience, and in particular focusing on reusing ideas from histor

Software engineering processes for self-adaptive systems

In this paper, we discuss how for self-adaptive systems some activities that traditionally occur at development-time are moved to run-time. Responsibilities for these activities shift from software engineers to the system itself, causing the traditional boundary between development-time and run-time to blur. As a consequence, we argue how the traditional software engineering process needs to be reconceptualized to distinguish both development-time and run-time activities, and to support designers in taking decisions on how to properly engineer such systems. Furthermore, we identify a number of challenges related to this required reconceptualization, and we propose initial ideas based on process modeling. We use the Software and Systems Process Engineering Meta-Model (SPEM) to specify which activities are meant to be performed off-line and on-line, and also the dependencies between them. The proposed models should capture information about the costs and benefits of shifting activities to run-time, since such models should support software engineers in their decisions when they are engineering self-adaptive systems

Conceptualizing Quality in Software Industry

This paper investigates the different software quality perceptions from the different stakeholders’ perspectives and presents a critique to previously developed quality models and measurement theory frameworks associated. It emphasizes the rationale beyond the selection of the Goal Question Metric (GQM) as an evaluation method for the development of the software project with the desired quality needs satisfying the software system. Then it ends up with several concluding remarks that pinpoint the main discussion points and offers guidance for further research