Novel photosensitive properties of gadolinium–lead germanate glasses

Glasses of the system xGd₂O₃ · (100 ? x)[7GeO₂ · 3PbO] with 0 ≤ x ≤ 40 mol% were prepared using the melt quenching method. Lead germanate glasses are particularly interesting in the context of the germanate anomaly. In this paper, we investigate changes in the coordination number of germanium in gadolinium–lead germanate glasses using molar volume analysis, density measurements, FTIR and UV–VIS spectroscopy, and density functional theory (DFT). Despite some inconsistencies, the coordination change model remains the currently accepted model for the anomalous behaviour of lead germanate glasses. Based on these experimental results, we propose the following mechanism for the germanate anomaly. (i) The low thermodynamic stability of the [GeO₆] structural unit and the occupation of interstices of larger dimensions (the six-coordinated interstices of the [PbO₆] structural units) in the lead germanate network yield [GeO₅] structural units with higher thermodynamic stability and larger ionic radii. (ii) Not linked to the terminal oxygens of the [GeO₅] structural units and with the formation of smaller network cavities of the lead germanate glass, links are required with [GeO₄] tetrahedra for stabilization, generating the formation of three-membered rings of [GeO₄] tetrahedral structural units.     

On the difference between a point multipole and an equivalent linear arrangement of point charges in force field models for vapour–liquid equilibria; partial charge based models for 59 real fluids

The replacement of a point dipole and a point quadrupole by a corresponding linear arrangement of two point charges (+q, ?q) and accordingly three point charges (+q, ?2q, +q) is studied with respect to vapour–liquid equilibria. The dependence of saturated liquid density, vapour pressure and heat of vaporization on the choice of the distance d between the charges in the point charge arrangement is analysed. For the studied dipolar two-centre Lennard-Jones (2CLJD) and quadrupolar two-centre Lennard-Jones (2CLJQ) models, d/σ between 1/15 and 1/20 is a reasonable compromise between numerical and physical accuracy, where σ is the Lennard-Jones size parameter. The results are used to derive validated partial charge based models of 59 real fluids from previously published point dipole and point quadrupole based models.     

Theoretical study of stabilities,electronic, and catalytic performance of supported platinum on modified graphene

The geometry, electronic structure, and catalytic properties for CO oxidation of Pt atom supported on pri-graphene (PG), Haeckelite (H), and Stone–Wales-defect-graphene are investigated by density functional theory (DFT) calculations. In contrast to a Pt atom on PG, defective graphene, especially the Haeckelite, strongly stabilises the Pt atom and makes it more positive and thus the CO poisoning. At the same time the catalytic activities are as high as the pristine one. Langmuir–Hinshelwood mechanisms are favoured as the starting state and are followed by the Eley–Rideal reaction. The results indicate the benefit of Haeckelite as a substrate for the Pt atom and validate the reactivity of catalysts on the atomic scale with low cost and high activity.     

Ant colony clustering with fitness perception and pheromone diffusion for community detection in complex networks

Community structure detection in complex networks has been intensively investigated in recent years. In this paper, we propose an adaptive approach based on ant colony clustering to discover communities in a complex network. The focus of the method is the clustering process of an ant colony in a virtual grid, where each ant represents a node in the complex network. During the ant colony search, the method uses a new fitness function to percept local environment and employs a pheromone diffusion model as a global information feedback mechanism to realize information exchange among ants. A significant advantage of our method is that the locations in the grid environment and the connections of the complex network structure are simultaneously taken into account in ants moving. Experimental results on computer-generated and real-world networks show the capability of our method to successfully detect community structures.     

Time-varying human mobility patterns with metapopulation epidemic dynamics

In this paper, explicitly considering the influences of an epidemic outbreak on human travel, a time-varying human mobility pattern is introduced to model the time variation of global human travel. The impacts of the pattern on epidemic dynamics in heterogeneous metapopulation networks, wherein each node represents a subpopulation with any number of individuals, are investigated by using a mean-field approach. The results show that the pattern does not alter the epidemic threshold, but can slightly lower the final average density of infected individuals as a whole. More importantly, we also find that the pattern produces different impacts on nodes with different degree, and that there exists a critical degree _kc$k_c$. For nodes with degree smaller than _kc$k_c$, the pattern produces a positive impact on epidemic mitigation; conversely, for nodes with degree larger than _kc$k_c$, the pattern produces a negative impact on epidemic mitigation.     

High performance Zn–Sn–O thin film transistors with Cu source/drain electrode

Zn–Sn–O (ZTO) thin film transistors (TFTs) were fabricated with a Cu source/drain electrode. Although a reasonably high mobility (μ_FE) of 13.2 cm²/Vs was obtained for the ZTO TFTs, the subthreshold gate swing (SS) and threshold voltage (V_th) of 1.1 V/decade and 9.1 V, respectively, were inferior. However, ZTO TFTs with Ta film inserted as a diffusion barrier, exhibited improved SS and V_th values of 0.48 V/decade and 3.0 V, respectively as well as a high μ_FE value of 18.7 cm²/Vs. The improvement in the Ta‐inserted device was attributed to the suppression of Cu lateral diffusion into the ZTO channel region. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Etude de la restauration de l'aluminium irradié aux electrons (Etape III)

The nature of the electron bombarded aluminium electrical recovery process has been studied by combining quenches with irradiations. Measured Frenkel pair formation rates per incident electrons as well as annealing kinetics emphasize the role of impurity interstitial trapping.     

Preferential etching of ion bombarded GaAs

Abrupt changes in the near-band-edge luminescence of n-type undoped GaAs after implantation with 400 keV Zn ions and vacuum annealing at 580°C are reported. The good agreement of the spectral position, half-width and temperature dependence of the emission obtained after implantation and annealing with that of melt-doped GaAs: Zn indicates that implanted Zn ions have been incorporated at Ga lattice sites. The larger number of Zn substitutions obtained when bombardment is made on the Ga face than for an equivalent fluence on the As face demonstrates the existence of a polar implant effect.     

Transmission and small angle scattering of 15 MeV electrons in silicon single crystals

Abstract

A novel technique for the study of structural damage incurred by single crystal silicon targets during ion implantation is described. The method is based upon copper-decoration of the vacancy rich damaged region, followed by radiochemical measurement of the resulting copper distribution. Utilizing neutron activation, sharply peaked radiocopper profiles are obtained, which are believed to represent the depth distributions of large, relatively immobile defects such as vacancy clusters, voids, or crystalline faults. A more efficient decoration of isolated vacancy-type defects is realized when Wu is employed as a radioisotopic tracer in the decoration step, however, the rapid diffusivity of these smaller species leads to less sharply defined radiocopper profiles. Both the neutron activation and radiotracer modifications of the technique yield damage profiles which are significantly shallower than the corresponding implanted impurity profiles.