The correlation between the thermoelectric properties and stoichiometry in the boron carbide phase B4C-B10.5C

Electrical conductivity, thermoelectrical power and thermal conductivity measurements on boron carbide samples show that the electrical conductivity follows the small polaron hopping theory and that thermal conductivity occurs by phonon diffusion. The evolution of these properties with carbon content illustrates the particular role played by the 13.3 at% C compound in the phase homogeneity range B_10.5C to B₄C. The value of the figure of merit (0.85×10^–3 K at 1250 K) proves that this particular boron carbide compound could be a very interesting candidate material for high-temperature thermoelectrical conversion.     

Functionalization of PVC by grafting of plasticizing group in a twin screw extruder

Substitution reactions are an appropriate way to attach chemical functions to polymer chains for improving properties and to diversify the application of polymer materials. The stereoselective substitution of chlorine atoms affords a useful way to plasticize polyvinychloride (PVC) by attaching appropriate plasticizing functions (ester group) such as isooctylthiosalicylate. Thus, the substitution of chlorine atoms of PVC by reactant bearing plasticizing groups was carried out in a continuous mixing apparatus such as a twin screw extruder. This continuous chemical engineering process taking place in the extruder is studied as the function of the residence time distribution (RTD) measured by a UV method. This function combined with the kinetics of the chemical reaction allows to define a new function G as the distribution of the extent of conversion by analogy with the RTD function.     

Powerful Parallel and Symmetric 3D Thinning Schemes Based on Critical Kernels

The main contribution of the present article consists of new 3D parallel and symmetric thinning schemes which have the following qualities:

They are effective and sound, in the sense that they are guaranteed to preserve topology. This guarantee is obtained thanks to a theorem on critical kernels;

They are powerful, in the sense that they remove more points, in one iteration, than any other symmetric parallel thinning scheme;

They are versatile, as conditions for the preservation of geometrical features (e.g., curve extremities or surface borders) are independent of those accounting for topology preservation;

They are efficient: we provide in this article a small set of masks, acting in the grid ?³, that is sufficient, in addition to the classical simple point test, to straightforwardly implement them.

     

Structure and functional complementation of engineered fragments from yeast phosphoglycerate kinase

Previous studies have shown that, although the isolated structuraldomains of yeast phosphoglycerate kinase recover a quasi-nativestructure in vitro as well as in vivo, they do not reassociatenor generate a functional enzyme. The aim of this work was firstto study the folding of complementary fragments different fromstructural domains and second to determine the requirementsfor their reassociation and functional complementation. Themethod used for producing rigorously defined fragments consistsof the introduction of a unique cysteinyl residue in the proteinfollowed by a specific cleavage by 5'5'-dithiobis(2-nitrobenzoate)/potassiumcyanide at this residue. Two pairs of complementary fragmentswere thus obtained, 1–96/97–415 and 1–248/249–415.The structure and stabilities of the different fragments werestudied. The short fragments, i.e. 1–96 and 249–415were found to contain some secondary structure, but to havea low stability. Each large fragment has a high structural contentand a stability close to that of the corresponding domain. Incontrast to that observed with the isolated domains, a weakbut significant complementation was observed for the two pairsof fragments; the pair of fragments 1–248/249–415recovered 8% of the activity of the native enzyme upon complementation.An independent refolding of the complementary fragments beforereassociation decreased the yield of complementation for thepair of fragments 1–96/97–415, but did not affectthe complementation for the other pair (1–248/249–415).From the present data and previous work on the isolated domains,it appears that the correct folding of the isolated fragmentsis not a prerequisite for their complementation.     

Rate of adsorption to and desorption from a langmuir surface: The case of zero activation barrier to adsorption without dissociation

Many rate constants of elementary steps on single crystals have been measured. Their pre-exponential factors can now be compared to those calculated by transition state theory. Such a calculation is presented in this Letter with due attention to microscopic reversibility, standard states, and configurational entropy.     

Assessment of response function in two PET scanners with and without interplane septa

The authors have assessed the response function both experimentally and theoretically for two commercial tomographs: CTI 931/08-12 and CTI 953B with and without interplane septa. Monte Carlo simulations were undertaken using the GEANT package from CERN. Spatial resolution (tomographic and axial) was calculated for line sources at various positions in the field of view. Sensitivity and scatter fraction (SF) were calculated for various source geometries as a function of energy discrimination. A very realistic response function in positron emission tomography (PET) is obtained by Monte Carlo methods, using global parameters to account for unsimulated phenomena such as scintillation light transport inside a detector block and its sharing among the various phototubes. Minor discrepancies remain for sensitivity and SF at high energy thresholds and may probably be explained by introducing the observed dispersion in the energy response for the various crystals within a detector block.     

Non-intrusive Coupling: Recent Advances and Scalable Nonlinear Domain Decomposition

This paper provides a detailed review of the global/local non-intrusive coupling algorithm. Such method allows to alter a global finite element model, without actually modifying its corresponding numerical operator. We also look into improvements of the initial algorithm (Quasi-Newton and dynamic relaxation), and provide comparisons based on several relevant test cases. Innovative examples and advanced applications of the non-intrusive coupling algorithm are provided, granting a handy framework for both researchers and engineers willing to make use of such process. Finally, a novel nonlinear domain decomposition method is derived from the global/local non-intrusive coupling strategy, without the need to use a parallel code or software. Such method being intended to large scale analysis, we show its scalability. Jointly, an efficient high level Message Passing Interface coupling framework is also proposed, granting an universal and flexible way for easy software coupling. A sample code is also given.     

A framework to model and manipulate constraints for over-constrained geographic applications

Geographic applications are often over-constrained because of the stakeholders’ multiple requirements and the various spatial, alphanumeric and temporal constraints to be satisfied. In most cases, solving over-constrained problems is based on the relaxation of some constraints according to values of preferences. This article proposes the modelling and the management of constraints in order to provide a framework to integrate stakeholders in the expression and the relaxation of their constraints. Three families of constraints are defined: static vs. dynamic, intra-entity vs. inter-entities and intra-instance vs. inter-instances. Constraints are modelled from two points of view: system with the complexity in time of the different involved operators and user with stakeholders’ preferences. The methodology of constraints relaxation is based on primitive, complex and derived operations. These operations allow a modification of the constraints in order to provide a relevant solution to a simulation. The developed system was applied to reduce the streaming/floods risks in the territory of Pays de Caux (Seine Maritime, France).     

On the Easy Use of Scientific Computing Services for Large Scale Linear Algebra and Parallel Decision Making with the P-Grade Portal

Scientific research is becoming increasingly dependent on the large-scale analysis of data using distributed computing infrastructures (Grid, cloud, GPU, etc.). Scientific computing (Petitet et al. 1999) aims at constructing mathematical models and numerical solution techniques for solving problems arising in science and engineering. In this paper, we describe the services of an integrated portal based on the P-Grade (Parallel Grid Run-time and Application Development Environment) portal (http://www.p-grade.hu) that enables the solution of large-scale linear systems of equations using direct solvers, makes easier the use of parallel block iterative algorithm and provides an interface for parallel decision making algorithms. The ultimate goal is to develop a single sign on integrated multi-service environment providing an easy access to different kind of mathematical calculations and algorithms to be performed on hybrid distributed computing infrastructures combining the benefits of large clusters, Grid or cloud, when needed.