Dynamics and fragmentation mechanism of (CH3-C5H4)Pt(CH3)3 on SiO2 Surfaces

The interaction of (CH3-C5H4)Pt(CH3)3 ((methylcyclopentadienyl)trimethylplatinum)) molecules on fully and partially hydroxylated SiO2 surfaces, as well as the dynamics of this interaction were investigated using density functional theory (DFT) and finite temperature DFT-based molecular dynamics simulations. Fully and partially hydroxylated surfaces represent substrates before and after electron beam treatment and this study examines the role of electron beam pretreatment on the substrates in the initial stages of precursor dissociation and formation of Pt deposits. Our simulations show that on fully hydroxylated surfaces or untreated surfaces, the precursor molecules remain inactivated while we observe fragmentation of (CH3-C5H4)Pt(CH3)3 on partially hydroxylated surfaces. The behavior of precursor molecules on the partially hydroxylated surfaces has been found to depend on the initial orientation of the molecule and the distribution of surface active sites. Based on the observations from the simulations and available experiments, we discuss possible dissociation channels of the precursor.Comment: 18 Pages, 5 Figure

Dynamics of Diblock Copolymers in Dilute Solutions

We consider the dynamics of freely translating and rotating diblock (A-B), Gaussian copolymers, in dilute solutions. Using the multiple scattering technique, we have computed the diffusion and the friction coefficients D_AB and Zeta_AB, and the change Eta_AB in the viscosity of the solution as functions of x = N_A/N and t = l_B/l_A, where N_A, N are the number of segments of the A block and of the whole copolymer, respectively, and l_A, l_B are the Kuhn lengths of the A and B blocks. Specific regimes that maximize the efficiency of separation of copolymers with distinct "t" values, have been identified.Comment: 20 pages Revtex, 7 eps figures, needs epsf.tex and amssymb.sty, submitted to Macromolecule

Efficient Set Sharing Using ZBDDs

Set sharing is an abstract domain in which each concrete object is represented by the set of local variables from which it might be reachable. It is a useful abstraction to detect parallelism opportunities, since it contains definite information about which variables do not share in memory, i.e., about when the memory regions reachable from those variables are disjoint. Set sharing is a more precise alternative to pair sharing, in which each domain element is a set of all pairs of local variables from which a common object may be reachable. However, the exponential complexity of some set sharing operations has limited its wider application. This work introduces an efficient implementation of the set sharing domain using Zero-suppressed Binary Decision Diagrams (ZBDDs). Because ZBDDs were designed to represent sets of combinations (i.e., sets of sets), they naturally represent elements of the set sharing domain. We show how to synthesize the operations needed in the set sharing transfer functions from basic ZBDD operations. For some of the operations, we devise custom ZBDD algorithms that perform better in practice. We also compare our implementation of the abstract domain with an efficient, compact, bit set-based alternative, and show that the ZBDD version scales better in terms of both memory usage and running time

Role of edaphic factors on VAM fungal colonization and Spore populations in certain tropical wild legumes

Four nodulating annual tropical wild legumes, viz., Alysicarpus monilifer, Desmodium triflorum, Indigofera linnaei and Tephrosia purpurea from three different regions in the Western Ghats ecosystem were investigated to assess their mycorrhizal status. The response ofvesicular-arbuscular mycorrhizal (VAM) root colonization and spore number to edaphicfactors such as soil moisture, pH and available Nand P was analysed. Though the spore number varied significantly both within and between sites, a uniformly high degree ofroot colonization was observed for all the plants in the present study. The spore number recorded was high, rangingfrom 15 to 165 spores gl soil. Spores of sixteen VAM fungal species belonging to Acaulospora, Glomus and Scutellospora were isolated from the rhizosphere soils. Soil moisture generally had a positive influence on VAM colonization and sporulation except in I. linnaei. The pH correlated negatively with root infection in I. linnaei and T. purpurea, but had no influence in the other two species. The effect of 2-pH on sporulation varied with host species and sites. No general correlation existed between available soil nutrients, root colonization and spore number but the influence ofNand P was counteractive on VAM infection. The present study indicates that the response of root colonization and spore number to edaphic factors is a localised rather than a generalised phenomenon

Mycorrhizae in sedges as related to root character and its ecological significance

Twenty four sedges were examined to assess the role of root characters on mycorrhizal status. Vesicular-arbuscular mycorrhizal (VAM) injection was positively related to root thickness and negatively to root hair number and length. Dried mycorrhizal roots of Bulbostylis barbata, Cyperus cyperinus. C. kyllingia and Fimbristylis ovata served as inocula oj VAMJungi in pot culture study indicating that mycorrhizal sedge roots could act as inocula in initiating and reviving mycorrhizae in natural soils

Quasiparticles as composite objects in the RVB superconductor

We study the nature of the superconducting state, the origin of d-wave pairing, and elementary excitations of a resonating valence bond (RVB) superconductor. We show that the phase string formulation of the t-J model leads to confinement of bare spinon and holon excitations in the superconducting state, though the vacuum is described by the RVB state. Nodal quasiparticles are obtained as composite excitations of spinon and holon excitations. The d-wave pairing symmetry is shown to arise from short range antiferromagnetic correlations

Response of Siratro (Macroptilium atropurpureum Urb. Rabaceae) to Vesicular-arbuscular Mycorrhizal Fungi and Rhizobium sp. in Sterilized Soil

The effect of inoculation of six species of vesicular-arbuscular mycorrhizal fungi viz., Gigaspora margarita, Glomus mosseae, G. monosporum, G. versiformis, G. fasciculatum, G. deserticola and Rhizobium sp. on growth and NPK content in siratro (Macroptilium atropurpureum) was studied. The mycorrhizal species were isolated from the rhizosphere forest soils of the Western Ghats and multiplied in pot culture with Sorghum bicolor as the host plant. Rhizobium sp. isolated from fresh nodules of siratro was cultured and maintained in yeast extract mannitol broth. The influence of VAM fungi and Rhizobium sp. either singly or in combination on growth and nutrient contents of siratro showed statistically significant increase after only 60 days of plant growth. Dual inoculation with VAM fungi and Rhizobium increased plant nodule number and tissue NPK content. Highest growth and nutrient content were exhibited by plants inoculated with Rhizobium together with multiple VAM fungi

Efficient negation using abstract interpretation

While negation has been a very active área of research in logic programming, comparatively few papers have been devoted to implementation issues. Furthermore, the negation-related capabilities of current Prolog systems are limited. We recently presented a novel method for incorporating negation in a Prolog compiler which takes a number of existing methods (some modified and improved by us) and uses them in a combined fashion. The method makes use of information provided by a global analysis of the source code. Our previous work focused on the systematic description of the techniques and the reasoning about correctness and completeness of the method, but provided no experimental evidence to evalúate the proposal. In this paper, we report on an implementation, using the Ciao Prolog system preprocessor, and provide experimental data which indicates that the method is not only feasible but also quite promising from the efficiency point of view. In addition, the tests have provided new insight as to how to improve the proposal further. Abstract interpretation techniques are shown to offer important improvements in this application

An overview of the ciao multiparadigm language and program development environment and its design philosophy

We describe some of the novel aspects and motivations behind the design and implementation of the Ciao multiparadigm programming system. An important aspect of Ciao is that it provides the programmer with a large number of useful features from different programming paradigms and styles, and that the use of each of these features can be turned on and off at will for each program module. Thus, a given module may be using e.g. higher order functions and constraints, while another module may be using objects, predicates, and concurrency. Furthermore, the language is designed to be extensible in a simple and modular way. Another important aspect of Ciao is its programming environment, which provides a powerful preprocessor (with an associated assertion language) capable of statically finding non-trivial bugs, verifying that programs comply with specifications, and performing many types of program optimizations. Such optimizations produce code that is highly competitive with other dynamic languages or, when the highest levéis of optimization are used, even that of static languages, all while retaining the interactive development environment of a dynamic language. The environment also includes a powerful auto-documenter. The paper provides an informal overview of the language and program development environment. It aims at illustrating the design philosophy rather than at being exhaustive, which would be impossible in the format of a paper, pointing instead to the existing literature on the system

Anomalous Dynamics of Translocation

We study the dynamics of the passage of a polymer through a membrane pore (translocation), focusing on the scaling properties with the number of monomers $N$. The natural coordinate for translocation is the number of monomers on one side of the hole at a given time. Commonly used models which assume Brownian dynamics for this variable predict a mean (unforced) passage time $\tau$ that scales as $N^2$, even in the presence of an entropic barrier. However, the time it takes for a free polymer to diffuse a distance of the order of its radius by Rouse dynamics scales with an exponent larger than 2, and this should provide a lower bound to the translocation time. To resolve this discrepancy, we perform numerical simulations with Rouse dynamics for both phantom (in space dimensions $d=1$ and 2), and self-avoiding (in $d=2$) chains. The results indicate that for large $N$, translocation times scale in the same manner as diffusion times, but with a larger prefactor that depends on the size of the hole. Such scaling implies anomalous dynamics for the translocation process. In particular, the fluctuations in the monomer number at the hole are predicted to be non-diffusive at short times, while the average pulling velocity of the polymer in the presence of a chemical potential difference is predicted to depend on $N$.Comment: 9 pages, 9 figures. Submitted to Physical Review