The implementation of an aeronautical CFD flow code onto distributed memory parallel systems

The parallelization of an industrially important in-house computational fluid dynamics (CFD) code for calculating the airflow over complex aircraft configurations using the Euler or Navier–Stokes equations is presented. The code discussed is the flow solver module of the SAUNA CFD suite. This suite uses a novel grid system that may include block-structured hexahedral or pyramidal grids, unstructured tetrahedral grids or a hybrid combination of both. To assist in the rapid convergence to a solution, a number of convergence acceleration techniques are employed including implicit residual smoothing and a multigrid full approximation storage scheme (FAS). Key features of the parallelization approach are the use of domain decomposition and encapsulated message passing to enable the execution in parallel using a single programme multiple data (SPMD) paradigm. In the case where a hybrid grid is used, a unified grid partitioning scheme is employed to define the decomposition of the mesh. The parallel code has been tested using both structured and hybrid grids on a number of different distributed memory parallel systems and is now routinely used to perform industrial scale aeronautical simulations. Copyright © 2000 John Wiley & Sons, Ltd.

Moisture Effects on the Reliability of Anisotropic Conductive Film Interconnection for Flip Chip on Flex Applications

Anisotropic conductive film (ACF) which consists of an adhesive epoxy matrix and randomly distributed conductive particles are widely used as the connection material for electronic devices with high I/O counts. However, for the semiconductor industry the reliability of the ACF is still a major concern due to a lack of experimental reliability data. This paper reports the investigations into the moisture-induced failures in Flip-Chip-on-Flex interconnections with Anisotropic Conductive Films (ACFs). Both experimental and modeling methods were applied. In the experiments, the contact resistance was used as a quality indicator and was measured continuously during the accelerated tests (autoclave tests). The temperature, relative humidity and the pressure were set at 121°C, 100%RH, and 2atm respectively. The contact resistance of the ACF joints increased during the tests and nearly 25% of the joints were found to be open after 168 hours’ testing time. Visible conduction gaps between the adhesive and substrate pads were observed. Cracks at the adhesive/flex interface were also found. For a better understanding of the experimental results, 3-D Finite Element (FE) models were built and a macro-micro modeling method was used to determine the moisture diffusion and moisture-induced stresses inside the ACF joints. Modeling results are consistent with the findings in the experimental work.

Generating OpenMP code using an interactive parallelization environment

Code parallelization using OpenMP for shared memory systems is relatively easier than using message passing for distributed memory systems. Despite this, it is still a challenge to use OpenMP to parallelize application codes in a way that yields effective scalable performance when executed on a shared memory parallel system. We describe an environment that will assist the programmer in the various tasks of code parallelization and this is achieved in a greatly reduced time frame and level of skill required. The parallelization environment includes a number of tools that address the main tasks of parallelism detection, OpenMP source code generation, debugging and optimization. These tools include a high quality, fully interprocedural dependence analysis with user interaction capabilities to facilitate the generation of efficient parallel code, an automatic relative debugging tool to identify erroneous user decisions in that interaction and also performance profiling to identify bottlenecks. Finally, experiences of parallelizing some NASA application codes are presented to illustrate some of the benefits of using the evolving environment.

Cognitive issues in information visualisation design for interaction for the visually impaired

This paper reports on the findings of a study on improving interaction design for visually impaired students, focusing upon the cognitive criteria for information visualisation.

Droplet oscillations in high gradient magnetic field

In high intensity and high gradient magnetic fields the volumetric force on diamagnetic material, such as water, leads to conditions very similar to microgravity in a terrestrial laboratory. In principle, this opens the possibility to determine material properties of liquid samples without wall contact, even for electrically non-conducting materials. In contrast, AC field levitation is used for conductors, but then terrestrial conditions lead to turbulent flow driven by Lorentz forces. DC field damping of the flow is feasible and indeed practiced to allow property measurements. However, the AC/DC field combination acts preferentially on certain oscillation modes and leads to a shift in the droplet oscillation spectrum.What is the cause? A nonlinear spectral numerical model is presented, to address these problems

Droplet oscillations in high gradient static magnetic field

In high intensity and high gradient magnetic fields the volumetric force on diamagnetic material, such as water, leads to conditions very similar to microgravity in a terrestrial laboratory. In principle, this opens the possibility to determine material properties of liquid samples without wall contact, even for electrically non-conducting materials. In contrast, AC field levitation is used for conductors, but then terrestrial conditions lead to turbulent flow driven by Lorentz forces. DC field damping of the flow is feasible and indeed practiced to allow property measurements. However, the AC/DC field combination acts preferentially on certain oscillation modes and leads to a shift in the droplet oscillation spectrum.What is the cause? A nonlinear spectral numerical model is presented, to address these problems.

Single machine scheduling models with deterioration and learning: handling precedence constraints via priority generation

We consider various single machine scheduling problems in which the processing time of a job depends either on its position in a processing sequence or on its start time. We focus on problems of minimizing the makespan or the sum of (weighted) completion times of the jobs. In many situations we show that the objective function is priority-generating, and therefore the corresponding scheduling problem under series-parallel precedence constraints is polynomially solvable. In other situations we provide counter-examples that show that the objective function is not priority-generating.

A versatile policy toolkit supporting run-time policy reconfiguration

This paper describes an autonomics development tool which serves as both a powerful and flexible policy-expression language and a policy-based framework that supports the integration and dynamic composition of several autonomic computing techniques including signal processing, automated trend analysis and utility functions. Each of these technologies has specific advantages and applicability to different types of dynamic adaptation. The AGILE platform enables seamless interoperability of the different technologies to each perform various aspects of self-management within a single application. Self-management behaviour is specified using the policy language semantics to bind the various technologies together as required. Since the policy semantics support run-time re-configuration, the self-management architecture is dynamically composable. The policy language and implementation library have integrated support for self-stabilising behaviour, enabling oscillation and other forms of instability to be handled at the policy level with very little effort on the part of the application developer. Example applications are presented to illustrate the integration of different autonomics techniques, and the achievement of dynamic composition.

Low temperature crystal structures of two rhodanine derivatives, 3-amino rhodanine and 3-methyl rhodanine: geometry of the rhodanine ring

Rhodanines (2-thio-4-oxothiazolidines) are synthetic small molecular weight organic molecules with diverse applications in biochemistry, medicinal chemistry, photochemistry, coordination chemistry and industry. The X-ray crystal structure determination of two rhodanine derivatives, namely (I), 3-aminorhodanine [3-amino-2-thio-4-oxothiazolidine], C3H4N2OS2, and (II) 3-methylrhodanine [3-methyl-2-thio-4-oxothiazolidine], C4H5NOS2, have been conducted at 100 K. I crystallizes in the monoclinic space group P2(1)/n with unit cell parameters a = 9.662(2), b = 9.234(2), c = 13.384(2) angstrom, beta = 105.425(3)degrees, V = 1151.1(3) angstrom(3), Z = 8 (2 independent molecules per asymmetric unit), density (calculated) = 1.710 mg/m(3), absorption coefficient = 0.815 mm(-1). II crystallizes in the orthorhombic space group Iba2 with unit cell a = 20.117(4), b = 23.449(5), c = 7.852(2) angstrom, V = 3703.9(12) angstrom(3), Z = 24 (three independent molecules per asymmetric unit), density (calculated) = 1.584 mg/m(3), absorption coefficient 0.755 mm(-1). For I in the final refinement cycle the data/restraints/parameter ratios were 2639/0/161, goodness-of-fit on F-2 = 0.934, final R indices [I > 2sigma(I)] were R1 = 0.0299, wR2 = 0.0545 and R indices (all data) R1 = 0.0399, wR2 = 0.0568. The largest difference peak and hole were 0.402 and -0.259 e angstrom(-3). For II in the final refinement cycle the data/restraints/parameter ratios were 3372/1/221, goodness-of-fit on F(2) = 0.950, final R indices [I > 2sigma(I)] were R1 = 0.0407, wR2 = 0.1048 and R indices (all data) R1 = 0.0450, wR2 = 0.1088. The absolute structure parameter = 0.19(9) and largest difference peak and hole 0.934 and -0.301 e angstrom(-3). Details of the geometry of the five molecules (two for I and three for II) and the crystal structures are fully discussed. Corresponding features of the molecular geometry are highly consistent and firmly establish the geometry of the rhodanine

Central nervous system drugs: Low temperature X-ray structures of (I) the base 5-(2,3-dichlorophenyl)-2,4-diamino-6-fluoromethyl-pyrimidine (4030W92) and (II) 5-(2,6-dichlorophenyl)-1-H-2,4-diamino-6-methyl-pyrimidine methanesulphonic acid salt (227C89)

The X-ray crystal structures of (I), the base 4030W92, 5-(2,3-dichlorophenyl)-2,4-diamino-6-fluoromethyl-pyrimidine, C11H9Cl2FN4, and (II) 227C89, the methanesulphonic acid salt of 5-(2,6-dichlorophenyl)-1-H-2,4-diamino-6-methyl-pyrimidine, C11H11Cl2N4 center dot CH3O3S, have been carried out at low temperature. A detailed comparison of the two structures is given. Structure (I) is non-centrosymmetric, crystallizing in space group P2(1) with unit cell a = 10.821(3), b = 8.290(3), c = 13.819(4) angstrom, beta = 105.980(6)degrees, V = 1191.8(6) angstrom(3), Z = 4 (two molecules per asymmetric unit) and density (calculated) = 1.600 mg/m(3). Structure (II) crystallizes in the triclinic space group P (1) over bar with unit cell a = 7.686(2), b = 8.233(2), c = 12.234(2) angstrom, alpha = 78.379(4), beta = 87.195(4), gamma = 86.811(4)degrees, V = 756.6(2) angstrom(3), Z = 2, density (calculated) = 1.603 mg/m(3). Final R indices [I > 2sigma(I)] are R1 = 0.0572, wR2 = 0.1003 for (I) and R1 = 0.0558, wR2 = 0.0982 for (II). R indices (all data) are R1 = 0.0983, wR2 = 0.1116 for (I) and R1 = 0.1009, wR2 = 0.1117 for (II). 5- Phenyl-2,4 diaminopyrimidine and 6-phenyl-1,2,4 triazine derivatives, which include lamotrigine (3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine), have been investigated for some time for their effects on the central nervous system. The three dimensional structures reported here form part of a newly developed data base for the detailed investigation of members of this structural series and their biological activities.

Maximum-likelihood estimator for coarse carrier frequency offset estimation in OFDM systems

Orthogonal frequency division multiplexing (OFDM) systems are more sensitive to carrier frequency offset (CFO) compared to the conventional single carrier systems. CFO destroys the orthogonality among subcarriers, resulting in inter-carrier interference (ICI) and degrading system performance. To mitigate the effect of the CFO, it has to be estimated and compensated before the demodulation. The CFO can be divided into an integer part and a fractional part. In this paper, we investigate a maximum-likelihood estimator (MLE) for estimating the integer part of the CFO in OFDM systems, which requires only one OFDM block as the pilot symbols. To reduce the computational complexity of the MLE and improve the bandwidth efficiency, a suboptimum estimator (Sub MLE) is studied. Based on the hypothesis testing method, a threshold Sub MLE (T-Sub MLE) is proposed to further reduce the computational complexity. The performance analysis of the proposed T-Sub MLE is obtained and the analytical results match the simulation results well. Numerical results show that the proposed estimators are effective and reliable in both additive white Gaussian noise (AWGN) and frequency-selective fading channels in OFDM systems.

Call admission control algorithms in OFDM-based wireless multiservice networks

Orthogonal frequency division multiplexing(OFDM) is becoming a fundamental technology in future generation wireless communications. Call admission control is an effective mechanism to guarantee resilient, efficient, and quality-of-service (QoS) services in wireless mobile networks. In this paper, we present several call admission control algorithms for OFDM-based wireless multiservice networks. Call connection requests are differentiated into narrow-band calls and wide-band calls. For either class of calls, the traffic process is characterized as batch arrival since each call may request multiple subcarriers to satisfy its QoS requirement. The batch size is a random variable following a probability mass function (PMF) with realistically maximum value. In addition, the service times for wide-band and narrow-band calls are different. Following this, we perform a tele-traffic queueing analysis for OFDM-based wireless multiservice networks. The formulae for the significant performance metrics call blocking probability and bandwidth utilization are developed. Numerical investigations are presented to demonstrate the interaction between key parameters and performance metrics. The performance tradeoff among different call admission control algorithms is discussed. Moreover, the analytical model has been validated by simulation. The methodology as well as the result provides an efficient tool for planning next-generation OFDM-based broadband wireless access systems.

Operator non-availability periods

In the scheduling literature, the notion of machine non availability periods is well known, for instance for maintenance. In our case of planning chemical experiments, we have special periods (the week-ends, holidays, vacations) where the chemists are not available. However, human intervention by the chemists is required to handle the starting and termination of the experiments. This gives rise to a new type of scheduling problems, namely problems of finding schedules that respect the operator non availability periods. These problems are analyzed on a single machine with the makespan as criterion. Properties are described and performance ratios are given for list scheduling and other polynomial-time algorithms.

Characterisation of freeze-dried wafers and solvent evaporated films as potential drug delivery systems to mucosal surfaces

Freeze-dried (lyophilised) wafers and solvent cast films from sodium alginate (ALG) and sodium carboxymethylcellulose (CMC) have been developed as potential drug delivery systems for mucosal surfaces including wounds. The wafers (ALG, CMC) and films (CMC) were prepared by freeze-drying and drying in air (solvent evaporation) respectively, aqueous gels of the polymers containing paracetamol as a model drug. Microscopic architecture was examined using scanning electron microscopy, hydration characteristics with confocal laser scanning microscopy and dynamic vapour sorption. Texture analysis was employed to investigate mechanical characteristics of the wafers during compression. Differential scanning calorimetry was used to investigate polymorphic changes of paracetamol occurring during formulation of the wafers and films. The porous freeze-dried wafers exhibited higher drug loading and water absorption capacity than the corresponding solvent evaporated films. Moisture absorption, ease of hydration and mechanical behaviour were affected by the polymer and drug concentration. Two polymorphs of paracetamol were observed in the wafers and films, due to partial conversion of the original monoclinic to the orthorhombic polymorph during the formulation process. The results showed the potential of employing the freeze-dried wafers and solvent evaporated films in diverse mucosal applications due to their ease of hydration and based on different physical mechanical properties exhibited by both type of formulations.

Synthesis and properties of polyelectrolyte microgel particles

A series of cationic poly(N-isopropylacrylamide/4-vinylpyridine) [poly(NIPAM/4-VP)] polyelectrolyte co-polymer microgels have been prepared by surfactant free emulsion polymerization (SFEP) with varying compositions of 4-VP and NIPAM. The compositions of 4-VP were 15, 25, 35, 45, 55 wt.% relative to NIPAM. The temperature and pH responsive swelling–deswelling properties of these microgels have been investigated using dynamic light scattering (DLS) and electrophoretic mobility measurements. DLS results have shown that the particle diameter of the poly(NIPAM/4-VP) microgels decreases with increasing concentration (wt.%) of 4-VP over the 20–60 °C temperature range due to the increased amount of hydrophobic group. The particle size of all poly(NIPAM/4-VP) microgel series increases with decreasing pH, as the 4-VP units become more protonated at low pH below the pKa (5.39) of the monomer 4-VP. Electrophoretic mobility results have shown that electrophoretic mobility increases as the temperature/pH increases at a constant background ionic strength (1 × 10− 4 mol dm− 3 NaCl). These results are in good agreement with DLS results. The temperature/pH sensitivity of these microgels depends on the ratio of NIPAM/4-VP concentration in the co-polymer microgel systems. The combined temperature/pH responsiveness of these polyelectrolyte microgels can be used in applications where changes in particle size with small change in pH or temperature is of great consequence.