Intermolecular interactions in the formation of aromatic hydrocarbon dimers

Both short-range and long-range intermolecular interaction energies between two aromatic hydrocarbon molecules, both in their ground state, separated by a range of interplanar distances of 3 ∼ 4 Aring, are estimated using the standard perturbation theory. The results show that aromatic hydrocarbons can form weak sandwich dimers with larger separation between them than is normally believed in their excimers. The non-sandwich form of dimer in which the long in-plane axes of the monomers are parallel and their short in-plane axes inclined, represents an unstable orientation because this form can pass to the perfect sandwich form without an energy barrier.

Experimental investigation of heat transfer reduction using forward facing cavity for missile shaped bodies flying at hypersonic speed

Forward facing circular nose cavity of 6 mm diameter in the nose portion of a generic missile shaped bodies is proposed to reduce the stagnation zone heat transfer. About 25% reduction in stagnation zone heat transfer is measured using platinum thin film sensors at Mach 8 in the IISc hypersonic shock tunnel. The presence of nose cavity does not alter the fundamental aerodynamic coefficients of the slender body. The experimental results along with the numerically predicted results is also discussed in this paper.

Studies on the out-of-plane behaviour of masonry walls

The prime aim of this PhD thesis is to contribute to the current body of knowledge on the out-of-plane performance of masonry walls through systematic investigation of the key parameters and provide insight into the design clauses of Australian Masonry Standard (AS3700-2011). The research work has been carried out through numerical simulation based on a 3D layered shell element model. The model demonstrated capability to simulate various forms of new and existing masonry systems commonly constructed in Australia such as unreinforced, internally and externally reinforced, confined and dry-stack masonry. In addition, the model simultaneously simulates in-plane and out-of-plane responses.

The laminar boundary layer regime for natural convection of air in a square cavity

Numerical predictions are obtained for laminar natural convection of air in a square two dimensional cavity at high Rayleigh numbers. Proper resolution of the core reveals weak multi-cellular structure which varies in a complex manner as the effects of convection are increased. The end of the steady laminar regime is numerically estimated to occur at Ra=2.2x10^8.

Improved damping capacity and machinability of graphite particle-aluminum alloy composites

The damping capacity of cast graphitic aluminum alloy composites has been measured using a torsion pendulum at a constant strain amplitude. It was found that flake-graphite particles dispersed in the matrix of aluminum alloys increased the damping capacity; the improvement was greater, the higher the amount of graphite dispersed in the matrix. At sufficiently high graphite contents the damping capacity of graphitic aluminum composites approaches that of cast iron. The ratio between the damping capacity and the density of graphitic aluminum alloys is higher than cast iron, making them very attractive as light-weight, high-damping materials for possible aircraft applications. Machinability tests on graphite particle-aluminum composites, conducted at speeds of 315 sfm and 525 sfm, showed that the chip length decreased with the amount of graphite of a given size. When the size of graphite was decreased, at a given machining speed, the chip length decreased. Metallographic examination shows that graphite particles act as chip breakers, and are frequently sheared parallel to the plane of the

In-plane normal vibrations of 1,2,5-oxa-, thia- and selena-diazoles, 1,3,4-oxa- and thia-diazoles and 1,2,3,4-thiatriazoles

In-plane vibration modes of 1,2,5- and 1,3,4-oxa- and thia-diazoles, and 1,2,5-selenadiazole have been assigned on the basis of detailed normal coordinate analysis employing data on several deuterated species. In-plane vibration frequencies of two 1,2,3,4-thiatriazole derivatives have been calculated and compared with observed values.

On plane-wave propagation in a uniform pipe in the presence of a mean flow and a temperature gradient

A theoretical study on the propagation of plane waves in the presence of a hot mean flow in a uniform pipe is presented. The temperature variation in the pipe is taken to be a linear temperature gradient along the axis. The theoretical studies include the formulation of a wave equation based on continuity, momentum, and state equation, and derivation of a general four-pole matrix, which is shown to yield the well-known transfer matrices for several other simpler cases.

A curve shortening flow rule for closed embedded plane curves with a prescribed rate of change in enclosed area

Motivated by a problem from fluid mechanics, we consider a generalization of the standard curve shortening flow problem for a closed embedded plane curve such that the area enclosed by the curve is forced to decrease at a prescribed rate. Using formal asymptotic and numerical techniques, we derive possible extinction shapes as the curve contracts to a point, dependent on the rate of decreasing area; we find there is a wider class of extinction shapes than for standard curve shortening, for which initially simple closed curves are always asymptotically circular. We also provide numerical evidence that self-intersection is possible for non-convex initial conditions, distinguishing between pinch-off and coalescence of the curve interior.

Inflammation-driven bone formation in a mouse model of ankylosing spondylitis: Sequential not parallel processes

Background Ankylosing spondylitis (AS) is an immune-mediated arthritis particularly targeting the spine and pelvis and is characterised by inflammation, osteoproliferation and frequently ankylosis. Current treatments that predominately target inflammatory pathways have disappointing efficacy in slowing disease progression. Thus, a better understanding of the causal association and pathological progression from inflammation to bone formation, particularly whether inflammation directly initiates osteoproliferation, is required. Methods The proteoglycan-induced spondylitis (PGISp) mouse model of AS was used to histopathologically map the progressive axial disease events, assess molecular changes during disease progression and define disease progression using unbiased clustering of semi-quantitative histology. PGISp mice were followed over a 24-week time course. Spinal disease was assessed using a novel semi-quantitative histological scoring system that independently evaluated the breadth of pathological features associated with PGISp axial disease, including inflammation, joint destruction and excessive tissue formation (osteoproliferation). Matrix components were identified using immunohistochemistry. Results Disease initiated with inflammation at the periphery of the intervertebral disc (IVD) adjacent to the longitudinal ligament, reminiscent of enthesitis, and was associated with upregulated tumor necrosis factor and metalloproteinases. After a lag phase, established inflammation was temporospatially associated with destruction of IVDs, cartilage and bone. At later time points, advanced disease was characterised by substantially reduced inflammation, excessive tissue formation and ectopic chondrocyte expansion. These distinct features differentiated affected mice into early, intermediate and advanced disease stages. Excessive tissue formation was observed in vertebral joints only if the IVD was destroyed as a consequence of the early inflammation. Ectopic excessive tissue was predominantly chondroidal with chondrocyte-like cells embedded within collagen type II- and X-rich matrix. This corresponded with upregulation of mRNA for cartilage markers Col2a1, sox9 and Comp. Osteophytes, though infrequent, were more prevalent in later disease. Conclusions The inflammation-driven IVD destruction was shown to be a prerequisite for axial disease progression to osteoproliferation in the PGISp mouse. Osteoproliferation led to vertebral body deformity and fusion but was never seen concurrent with persistent inflammation, suggesting a sequential process. The findings support that early intervention with anti-inflammatory therapies will be needed to limit destructive processes and consequently prevent progression of AS.

Observation of a mixed antiparallel and parallel beta-sheet motif in the crystal structure of Boc-Ala-Ile-Aib-OMe

A diastereomeric mixture of the tripeptide Boc-Ala-Ile-Aib-OMe crystallized in the space group P1 from CH3OH/H2O. The unit cell parameters are a = 10.593(2) A, b = 14.377(3) A, c = 17.872(4) A, alpha = 104.41(2) degrees, beta = 90.55(2) degrees, gamma = 106.91(2) degrees, V = 2512.4 A3, Z = 4. X-Ray crystallographic studies show the presence of four molecules in the asymmetric unit consisting of two pairs of diastereomeric peptides, Boc-L-Ala-L-Ile-Aib-OMe and Boc-L-Ala-D-Ile-Aib-OMe. The four molecules in the asymmetric unit form a rarely found mixed antiparallel and parallel beta-sheet hydrogen bond motif. The Ala and (L,D)-Ile residues in all the four molecules adopt the extended conformations, while the phi, psi values of the Aib residues are in the right-handed helical region. In one of the molecules the Ile sidechain adopts the unusual gauche conformation about the C beta-C gamma bond.

Commodity taxation and parallel imports

We examine the interaction between commodity taxes and parallel imports in a two-country model with imperfect competition. While governments determine non-cooperatively their commodity tax rate, the volume of parallel imports is determined endogenously by the retailing sector. We compare the positive and normative implications of having commodity taxes based on destination or origin principle. We show that, as the volume of parallel imports increases, non-cooperative origin taxes converge, while destination taxes diverge. Moreover, origin taxes are more similar and lead to higher aggregate welfare levels than destination taxes.

Design and characterization of in-plane MEMS yaw rate sensor

In this paper, we present the design and characterization of a vibratory yaw rate MEMS sensor that uses in-plane motion for both actuation and sensing. The design criterion for the rate sensor is based on a high sensitivity and low bandwidth. The required sensitivity of the yawrate sensor is attained by using the inplane motion in which the dominant damping mechanism is the fluid loss due to slide film damping i.e. two-three orders of magnitude less than the squeeze-film damping in other rate sensors with out-of-plane motion. The low bandwidth is achieved by matching the drive and the sense mode frequencies. Based on these factors, the yaw rate sensor is designed and finally realized using surface micromachining. The inplane motion of the sensor is experimentally characterized to determine the sense and the drive mode frequencies, and corresponding damping ratios. It is found that the experimental results match well with the numerical and the analytical models with less than 5% error in frequencies measurements. The measured quality factor of the sensor is approximately 467, which is two orders of magnitude higher than that for a similar rate sensor with out-of-plane sense direction.

Qed On The Groenewold-Moyal Plane

We investigate a version of noncommutative QED where the interaction term, although natural, breaks the spin-statistics connection. We calculate e(-) + e(-) -> e(-) + e(-) and gamma + e(-) -> gamma + e(-) cross-sections in the tree approximation and explicitly display their dependence on theta(mu nu). Remarkably the zero of the elastic e(-) + e(-) -> e(-) + e(-) cross-section at 90 degrees in the center-of-mass system, which is due to Pauli principle, is shifted away as a function of theta(mu nu) and energy.

Grids with multiple batch systems for performance enhancement of multi-component and parameter sweep parallel applications

In this work, we evaluate the benefits of using Grids with multiple batch systems to improve the performance of multi-component and parameter sweep parallel applications by reduction in queue waiting times. Using different job traces of different loads, job distributions and queue waiting times corresponding to three different queuing policies(FCFS, conservative and EASY backfilling), we conducted a large number of experiments using simulators of two important classes of applications. The first simulator models Community Climate System Model (CCSM), a prominent multi-component application and the second simulator models parameter sweep applications. We compare the performance of the applications when executed on multiple batch systems and on a single batch system for different system and application configurations. We show that there are a large number of configurations for which application execution using multiple batch systems can give improved performance over execution on a single system.

A strategy for scheduling tightly coupled parallel applications on clusters

Although various strategies have been developed for scheduling parallel applications with independent tasks, very little work exists for scheduling tightly coupled parallel applications on cluster environments. In this paper, we compare four different strategies based on performance models of tightly coupled parallel applications for scheduling the applications on clusters. In addition to algorithms based on existing popular optimization techniques, we also propose a new algorithm called Box Elimination that searches the space of performance model parameters to determine the best schedule of machines. By means of real and simulation experiments, we evaluated the algorithms on single cluster and multi-cluster setups. We show that our Box Elimination algorithm generates up to 80% more efficient schedule than other algorithms. We also show that the execution times of the schedules produced by our algorithm are more robust against the performance modeling errors.