Quantum chemical studies of Li cation binding to polyalkyloxides

A quantum chemical study of the binding of Li⁺ cation to polyalkyloxides has been carried out. The lithium cation interaction with three polyalkyloxides (polyethylene oxide (PEO), polytrimethylene oxide (PTMO), and polypropylene oxide (PPO)) has been investigated using ab initio molecular orbital theory at the HF/6-31G^* level with molecular models for the polymers. Coordination by one to six oxygens was considered. In addition, higher level calculations were carried out using G3(MP2) theory for coordination of Li⁺ by one oxygen. For coordination of lithium by one oxygen, the binding energy ordering is PTMO>PPO>PEO, with PTMO having the largest lithium cation affinity. The same ordering is found for larger coordination numbers with the exception of coordination by six oxygens, where the ordering changes due to the steric interactions.     

Network topology and the theory of rubber elasticity

The earliest investigations on rubber elasticity, commencing in the 19th century, were necessarily limited to phenomenological interpretations. The realisation that polymers consist of very long molecular chains. commencing c. 1930, gave impetus to the molecular theory of rubber elasticity (1932-). according to which the high deformability of an elastomer, and the elastic force generated by deformation, stem from the configurations accessible to long molecular chains. Theories of rubber elasticity put forward from 1934-1946 relied on the assumption that the junctions of the rubber network undergo displacements that are affine in macroscopic strain. The theory of James and Guth (1947) dispensed with this premise, and demonstrated instead that the mean positions of the junctions of a ‘phantom’ network consisting of Gaussian chains devoid of material properties are affine in the strain. The vital significance of the distinction between the actual distribution of chain vectors in a network and their distribution if the junctions would be fixed at their mean positions went unnoticed for nearly 30 years. Experimental investigations, commencing with the incisive work of Gee in 1946. revealed large departures from the relationship of stress to strain predicted by the theories cited. This discrepancy prompted extensive studies, theoretical and experimental, during succeeding years. Inquiry into the fundamentals of polymer networks, formed for example by interlinking very long polymer molecules, exposed the need to take account of network imperfections, typically consisting of chains attached at only one end to a network junction. Various means were advocated to make corrections for these imperfections. The cycle rank ζ of the network has been shown (1976) to be the fundamental measure of its connectivity, regardless of the junction functionality and pattern of imperfections. Often overlooked is the copious interpenetration of the chains comprising typical elastomeric networks. Theories that attempt to represent such networks on a lattice are incompatible with this universal feature. Moreover, the dense interpenetration of chains may limit the ability of junctions in real networks to accommodate the fluctuations envisaged in the theory of phantom networks. It was suggested in 1975 that departures from the form predicted for the elastic equation of state are due to constraints on the fluctuations of junctions whose effect diminishes with deformation and with dilation. Formulation of a self-consistent theory based on this suggestion required recognition of the non-affine connection between the chain vector distribution function and the macroscopic strain in a real network, which may partake of characteristics of a phantom network in some degree. Implementation of the idea was achieved through postulation of domains of constraint affecting the equilibrium distribution of fluctuations of network junctions from their mean positions. This led in due course to a theory that accounts for the relationship of stress to strain virtually throughout the ranges of strain accessible to measurement. The theory establishes connections between structure and elastic properties. This is achieved with utmost frugality in arbitrary parameters.     

“Metallisation” of oxide surfaces observed by in situ high-resolution electron microscopy

Intense irradiation (25–40 A/cm²) at intermediate energy (400 keV) has been found to cause “metallisation” of tungsten oxide and titanium niobate crystal surfaces. The possible mechanisms and the likely consequences for high-resolution imaging of clean oxide surfaces are briefly discussed.     

Partitioning for pseudo-exhaustive testing is NP-complete

In the letter, two schemes of circuit partitioning for pseudo-exhaustive testing are described. The complexities of both are proved to be NP-complete.     

Cooperation between memory systems: Acetylcholine release in the amygdala correlates positively with performance on a hippocampus-dependent task.

The present experiment examined the relationship between release of acetylcholine (ACh) in the amygdala and performance on a hippocampus-dependent spatial working memory task. Using in vivo microdialysis, the authors measured ACh release in rats during testing on a spontaneous alternation task. Amygdala ACh release was positively correlated with performance on the hippocampus-dependent task. These findings suggest that activation of the amygdala promotes processing in other neural systems important for learning and memory. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

An adaptive descent method for non-linear viscoplasticity

A forming model based on a viscoplastic flow formulation is derived which includes the effects of small elastic strains. A significant feature of the formulation is its reliance on the dominant inelastic material characteristics in the formation of the stiffness matrix for large strain problems. The resultant non-linear system of equations is solved by an adaptive descent method which combines the rapid convergence of Newton's method near the solution with the robustness of a method of successive approximations. The use of the adaptive descent method effectively extends the viscoplastic flow formulations into the nearly rate-insensitive range of behaviours exhibited, for example, by metals at low temperature, where slow convergence of the non-linear solution algorithm has traditionally hampered their use.     

The hot blow forming of AZ31 Mg sheet: Formability assessment and application development

The hot blow forming of magnesium sheet offers significant opportunity for forming complex, lightweight parts for automotive applications. This paper characterizes the elevated-temperature formability of AZ31 magnesium sheet materials and the effect of processing conditions on the performance of these materials. In addition, magnesium sheet application development at General Motors Corporation is reviewed.     

Nicholas Hobbs (1915–1983).

Presents an obituary for Nicholas Hobbs. Just at the end of his stellar career of public service through psychology, Nick Hobbs received very appropriate honors showing that psychologists and many others knew what a precious national resource his life had been. Only days before his death from cancer on January 23, 1983, he participated in the dedication of the Nicholas Hobbs Laboratory of Human Development of the Peabody College for Teachers of Vanderbilt University, part of the Kennedy Center for Research on Education and Human Development that he founded and directed at its beginning. Two years earlier, he had received two parallel American Psychological Association (APA) awards--one for Distinguished Contributions to Psychology in the Public Interest and another for Distinguished Professional Contributions "utilizing psychological knowledge in the public interest and social policy." As the citations and testimonials on these occasions variously noted, Nick gave creative, responsible, and effective service to the institutions that he helped administer, to the Southern region from which he sprang, to the APA, and to the profession of psychology, but above all to the nation's children and youth, especially those who grew up with disadvantage and difficulty. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Modeling and optimization of fringe capacitance of nanoscale DGMOS devices

We analyze the impact of gate electrode thickness and gate underlap on the fringe capacitance of nanoscale double-gate MOS (DGMOS) transistors. We propose an analytical fringe capacitance model considering gate underlap and finite source/drain length. A comparison with the simulation results show that the model can accurately estimate the fringe capacitance of the device. We show that an optimum gate underlap can significantly reduce the fringe capacitance resulting in higher performance and lower power consumption. Also, the effects of process variation in gate underlap devices are discussed. Simulation results on a three-stage ring oscillator show that with optimum gate underlap 32% improvement in delay can be achieved.