Environnement local des défauts structurels et ordre à moyenne portée dans le silicium amorphe

Malgré une vaste littérature concernant les propriétés structurelles, électroniques et ther- modynamiques du silicium amorphe (a-Si), la structure microscopique de ce semi-cond- ucteur covalent échappe jusqu’à ce jour à une description exacte. Plusieurs questions demeurent en suspens, concernant par exemple la façon dont le désordre est distribué à travers la matrice amorphe : uniformément ou au sein de petites régions hautement déformées ? D’autre part, comment ce matériau relaxe-t-il : par des changements homo- gènes augmentant l’ordre à moyenne portée, par l’annihilation de défauts ponctuels ou par une combinaison de ces phénomènes ? Le premier article présenté dans ce mémoire propose une caractérisation des défauts de coordination, en terme de leur arrangement spatial et de leurs énergies de formation. De plus, les corrélations spatiales entre les défauts structurels sont examinées en se ba- sant sur un paramètre qui quantifie la probabilité que deux sites défectueux partagent un lien. Les géométries typiques associées aux atomes sous et sur-coordonnés sont extraites du modèle et décrites en utilisant les distributions partielles d’angles tétraédriques. L’in- fluence de la relaxation induite par le recuit sur les défauts structurels est également analysée. Le second article porte un regard sur la relation entre l’ordre à moyenne portée et la relaxation thermique. De récentes mesures expérimentales montrent que le silicium amorphe préparé par bombardement ionique, lorsque soumis à un recuit, subit des chan- gements structuraux qui laissent une signature dans la fonction de distribution radiale, et cela jusqu’à des distances correspondant à la troisième couche de voisins.[1, 2] Il n’est pas clair si ces changements sont une répercussion d’une augmentation de l’ordre à courte portée, ou s’ils sont réellement la manifestation d’un ordonnement parmi les angles dièdres, et cette section s’appuie sur des simulations numériques d’implantation ionique et de recuit, afin de répondre à cette question. D’autre part, les corrélations entre les angles tétraédriques et dièdres sont analysées à partir du modèle de a-Si.

Invariant discretizations of partial differential equations

Un algorithme permettant de discrétiser les équations aux dérivées partielles (EDP) tout en préservant leurs symétries de Lie est élaboré. Ceci est rendu possible grâce à l'utilisation de dérivées partielles discrètes se transformant comme les dérivées partielles continues sous l'action de groupes de Lie locaux. Dans les applications, beaucoup d'EDP sont invariantes sous l'action de transformations ponctuelles de Lie de dimension infinie qui font partie de ce que l'on désigne comme des pseudo-groupes de Lie. Afin d'étendre la méthode de discrétisation préservant les symétries à ces équations, une discrétisation des pseudo-groupes est proposée. Cette discrétisation a pour effet de transformer les symétries ponctuelles en symétries généralisées dans l'espace discret. Des schémas invariants sont ensuite créés pour un certain nombre d'EDP. Dans tous les cas, des tests numériques montrent que les schémas invariants approximent mieux leur équivalent continu que les différences finies standard.

Zeolite-encapsulated Co(II), Ni(II) and Cu(II) complexes as catalysts for partial oxidation of benzyl alcohol and ethylbenzene

Co(II), Ni(II) and Cu(II) complexes of dimethylglyoxime and N,N-ethylenebis(7-methylsalicylideneamine) have been synthesized in situ in Y zeolite by the reaction of ion-exchanged metal ions with the flexible ligand molecules that had diffused into the cavities. The hybrid materials obtained have been characterized by elemental analysis, SEM, XRD, surface area, pore volume, magnetic moment, FTIR, UV-Vis and EPR techniques. Analysis of data indicates the formation of complexes in the pores without affecting the zeolite framework structure, the absence of any extraneous species and the geometry of encapsulated complexes. The catalytic activities for hydrogen peroxide decomposition and oxidation of benzyl alcohol and ethylbenzene of zeolite complexes are reported. Zeolite Cu(II) complexes were found to be more active than the corresponding Co(II) and Ni(II) complexes for oxidation reactions. The catalytic properties of the complexes are influenced by their geometry and by the steric environment of the active sites. Zeolite complexes are stable enough to be reused and are suitable to be utilized as partial oxidation catalysts.

Evidence for the existence of Sarkovskii ordering in a two-dimensional map

We analyse numerically the bifurcation structure of a two-dimensional noninvertible map and show that different periodic cycles are arranged in it exactly in the same order as in the case of the logistic map. We also show that this map satisfies the general criteria for the existence of Sarkovskii ordering, which supports our numerical result. Incidently, this is the first report of the existence of Sarkovskii ordering in a two-dimensional map.

Comparison between molecular dynamics abd Monte Carlo simulations of an ordering process in a binary alloy

Ordering in a binary alloy is studied by means of a molecular-dynamics (MD) algorithm which allows to reach the domain growth regime. Results are compared with Monte Carlo simulations using a realistic vacancy-atom (MC-VA) mechanism. At low temperatures fast growth with a dynamical exponent x>1/2 is found for MD and MC-VA. The study of a nonequilibrium ordering process with the two methods shows the importance of the nonhomogeneity of the excitations in the system for determining its macroscopic kinetics.

Reply to "Comment on 'Nature and entropy content of the ordering transitions in RCo2'"

In the previous Comment, Forker and co-workers claim that perturbed angular correlation (PAC) data leave no alternative to the conclusion that the spontaneous magnetization of PrCo2 and NdCo2 undergoes a discontinuous, first-order phase transition at TC. We show here that their claim is in clear contradiction with a wealth of experimental evidence, including our own. Finally, we propose a possible origin for the disagreement between their interpretation of the PAC results and the literature on this subject.

Production, purification and partial characterization of a novel protease from marine Engyodontium album BTMFS10 under solid state fermentation

Engyodontium album isolated from marine sediment produced protease, which was active at pH 11. Process parameters influencing the production of alkaline protease by marine E. album was optimized. Particle size of <425 mm, 60% initial moisture content and incubation at 25 8C for 120 h were optimal for protease production under solid state fermentation (SSF) using wheat bran. The organism has two optimal pH (5 and 10) for maximal enzyme production. Sucrose as carbon source, ammonium hydrogen carbonate as additional inorganic nitrogen source and amino acid leucine enhanced enzyme production during SSF. The protease was purified and partially characterized. A 16-fold purified enzyme was obtained after ammonium sulphate precipitation and ion-exchange chromatography. Molecular weight of the purified enzyme protein was recorded approximately 38 kDa by SDS-PAGE. The enzyme showed maximum activity at pH 11 and 60 8C. Activity at high temperature and high alkaline pH suggests suitability of the enzyme for its application in detergent industry

Lipase from marine Aspergillus awamori BTMFW032: Production, partial purification and application in oil effluent treatment

Marine fungus BTMFW032, isolated from seawater and identified as Aspergillus awamori, was observed to produce an extracellular lipase, which could reduce 92% fat and oil content in the effluent laden with oil. In this study, medium for lipase production under submerged fermentation was optimized statistically employing response surface method toward maximal enzyme production. Medium with soyabean meal- 0.77% (w/v); (NH4)2SO4-0.1 M; KH2PO4-0.05 M; rice bran oil-2% (v/v); CaCl2-0.05 M; PEG 6000-0.05% (w/v); NaCl-1% (w/v); inoculum-1% (v/v); pH 3.0; incubation temperature 35 8C and incubation period-five days were identified as optimal conditions for maximal lipase production. The time course experiment under optimized condition, after statistical modeling, indicated that enzyme production commenced after 36 hours of incubation and reached a maximum after 96 hours (495.0 U/ml), whereas maximal specific activity of enzyme was recorded at 108 hours (1164.63 U/mg protein). After optimization an overall 4.6- fold increase in lipase production was achieved. Partial purification by (NH4)2SO4 precipitation and ion exchange chromatography resulted in 33.7% final yield. The lipase was noted to have a molecular mass of 90 kDa and optimal activity at pH 7 and 40 8C. Results indicated the scope for potential application of this marine fungal lipase in bioremediation.

Characterizations of some continuous distributions using partial moments

Inthis paper,we define partial moments for a univariate continuous random variable. A recurrence relationship for the Pearson curve using the partial moments is established. The interrelationship between the partial moments and other reliability measures such as failure rate, mean residual life function are proved. We also prove some characterization theorems using the partial moments in the context of length biased models and equilibrium distributions

The role of lower partial moments in stochastic modeling

Lower partial moments plays an important role in the analysis of risks and in income/poverty studies. In the present paper, we further investigate its importance in stochastic modeling and prove some characterization theorems arising out of it. We also identify its relationships with other important applied models such as weighted and equilibrium models. Finally, some applications of lower partial moments in poverty studies are also examined

Quantile based reliability aspects of partial moments

Partial moments are extensively used in literature for modeling and analysis of lifetime data. In this paper, we study properties of partial moments using quantile functions. The quantile based measure determines the underlying distribution uniquely. We then characterize certain lifetime quantile function models. The proposed measure provides alternate definitions for ageing criteria. Finally, we explore the utility of the measure to compare the characteristics of two lifetime distributions

Dominant partial least square factors of consumer purchase behaviour of passenger cars

Globalization and liberalization, with the entry of many prominent foreign manufacturers, changed the automobile scenario in India, since early 1990’s. World Leaders in automobile manufacturing such as Ford, General Motors, Honda, Toyota, Suzuki, Hyundai, Renault, Mitsubishi, Benz, BMW, Volkswagen and Nissan set up their manufacturing units in India in joint venture with their Indian counterpart companies, by making use of the Foreign Direct Investment policy of the Government of India, These manufacturers started capturing the hearts of Indian car customers with their choice of technological and innovative product features, with quality and reliability. With the multiplicity of choices available to the Indian passenger car buyers, it drastically changed the way the car purchase scenario in India and particularly in the State of Kerala. This transformed the automobile scene from a sellers’ market to buyers’ market. Car customers started developing their own personal preferences and purchasing patterns, which were hitherto unknown in the Indian automobile segment. The main purpose of this paper is to develop a model with major variables, which influence the consumer purchase behaviour of passenger car owners in the State of Kerala. Though there are innumerable studies conducted in other countries, there are very few thesis and research work conducted to study the consumer behaviour of the passenger car industry in India and specifically in the State of Kerala. The results of the research contribute to the practical knowledge base of the automobile industry, specifically to the passenger car segment. It has also a great contributory value addition to the manufacturers and dealers for customizing their marketing plans in the State