INFLUENCE OF A LEVELNESS DEFECT IN A THRUST BEARING ON THE DYNAMIC BEHAVIOUR OF AN ELASTIC SHAFT

This paper examines the non-linear dynamic behaviour of a flexible shaft. The shaft is mounted on two journal bearings and the axial load is supported by a defective hydrodynamic thrust bearing at one end. The defect is a levelness defect of the rotor. The thrust bearing behaviour must be considered to be non-linear because of the effects of the defect. The shaft is modelled with typical beam finite elements including effects such as the gyroscopic effects. A modal technique is used to reduce the number of degrees of freedom. Results show that the thrust bearing defects introduce supplementary critical speeds. The linear approach is unable to show the supplementary critical speeds which are obtained only by using non-linear analysis.     

Online Cooperative Learning in Physical Chemistry

The use of cooperative learning in an online setting is examined using the online segment of a recently offered physical chemistry course as an example. The nature and function of classical, face-to-face cooperative learning are outlined. The online course segment is outlined and is analyzed with regard to the criteria for classical cooperative learning. Though this specific course segment functioned poorly when taught as online cooperative learning, it is possible to structure online courses to take advantage of the strengths of cooperative learning. The possible structure and function of an online cooperative learning community are explored, concluding with a specific model for online cooperative learning.     

EFFECT OF FORESTLAND AVAILABILITY BY OWNERSHIP TYPE ON LICENSE SALES FOR HUNTING: A SPATIAL APPROACH

Abstract The effect of forestland availability under different ownership types on license sales for hunting in nine Southeastern states is empirically evaluated. An equation that represents license sales for hunting is estimated assuming the sale of hunting licenses in a particular county is related to the characteristics of that county as well as the characteristics and license sales for hunting in its neighboring counties. The positive effects of the amounts of both national and private forestland on license sales reaffirm the potential benefits of maintaining forestland to stimulate hunting. The positive spillover effect of national forests on license sales for hunting suggests that availability and close access to hunting in national forests within neighboring counties are important in supporting hunting license sales in a county. This study contributes to the general understanding of the drivers affecting individuals’ decisions to use natural resources for hunting. Advances in natural resource modeling, specifically the spatial process model and geospatial data used in this research, make it possible to examine the interactions between the spatial dynamics and ownership attributes of the natural system, allowing policy makers to design natural resource management practices that respond to a system characterized by these interactions.     

Analytical gradients of a state average MCSCF state and a state average diagnostic

An efficient method for calculating the Lagrange multipliers and the analytical gradients of one state included in a state average MCSCF wave function is presented. It is demonstrated that the state average energy of an ‘equal-weight’ scheme is invariant to rotations within the state average subspace and that the corresponding rotations should be eliminated from the Lagrangian equations. Finally, a diagnostic is presented, which gauges the energy difference between a state defined by a state average calculation and the corresponding fully variational multi-configurational SCF state.     

Advances in surface plasmon resonance-based high throughput biochips

This article reviews our recent advances in surface plasmon resonance (SPR) based biochips. It includes four issues, which are the preparation and characterization of high quality gold film, the preparation and characterization of self-assembled monolayer (SAM), dynamics of DNA adsorption on SAMs, and SPRbased microscopies. Numerous topics related to SPR, such as, the modeling of SPR by transmission matrix, effective medium theory, applications of SPR in biology, and SPR-based novel microscopies, are discussed. A novel electrochemical technique, which is extremely useful for the preparation and characterization of high quality SAMs, is also discussed.     

The Purdue Visualization of Rotations Test

This paper probes the relationship between the psychometric construct known as spatial ability and students performance in introductory chemistry courses. It examines some of the early literature on the evolution of the concept of spatial ability, reviews the results of research on the relationship between success (or failure) in introductory chemistry courses and students spatial ability, and describes a spatial ability test known as The Purdue Visualization of Rotations (ROT) test that has been shown to be among the spatial ability tests whose results are least likely to be complicated by analytical processing.     

Properties of a Semi-discrete Approximation to the Beam Equation

The solution of the equation w(x)u_tt+[p(x)u_xx]_xx = 0, 0 < x < L, t > 0, where it is assumed that w and p are positive on the interval[O, L], is approximated by using the method of straight lines.The resulting approximation is a linear system of differentialequations with coefficient matrix S. The matrix S is studiedunder very general boundary conditions which result in a conservativesystem. In all cases the matrix S is either an oscillation matrixor possesses nearly all the properties of an oscillation matrix.     

A theoretical study of the 21Ag ← 11Ag two-photon transition and its vibronic band in trans-stilbene

The two-photon spectrum of the 2¹A_g ← 1¹A_g transition in trans-stilbene has been calculated at the complete active space self-consistent field (CASSCF) level of theory. Energies were obtained at the complete active space second-order perturbation (CASPT2) level of theory, while the geometries of both the initial and final states were optimized at the CASSCF level. The energy and the geometry optimizations were performed using an active space of 14 electrons in 14 active π orbitals. The vibrational frequencies of both states and the two-photon transition (TPT) cross-section were calculated with a smaller active space where the two lowest π orbitals were kept inactive. A newly implemented algorithm, in the quantum chemical package Molcas was used to determine the two-photon transition intensity. This method requires only the linear response of the CASSCF wavefunction. Furthermore, the vibronic structure of this TPT was studied. The Franck-Condon factors were obtained by calculating the overlap between the vibrational states involved, which were determined from the force fields of both the initial and final states, at the CASSCF level of theory. The results are in agreement with experiment.     

The ammonia dimer equilibrium dissociation energy: convergence to the basis set limit at the correlated level

The low-energy region of the intermolecular potential energy hypersurface (PES) of the ammonia dimer was studied at the level of second-order Moller-Plesset perturbation theory (MP2) using a very large basis set. Individual minima were located on the PES employing the counterpoise (CP) correction to account for the basis set superposition error (BSSE). Apart from these canonical MP2 calculations local MP2 (LMP2) calculations were performed. For the latter the BSSE at the correlated level is inherently absent by virtue of the local truncation of the virtual space. Results from canonical and local MP2 calculations are compared and the reliability of the LMP2 method for intermolecular complexes and clusters is discussed. The canonical MP2 calculations predicted five minimum structures, the four most stable ones lying energetically very close. For these four structures single point MP2 energy calculations with a further extended basis set (1024 functions for the ammonia dimer) were performed. The equilibrium dissociation energies so obtained are close to the one-particle basis set limit, as illustrated by a remaining BSSE of less than 0.2 kJ mol^?1. The geometry optimizations at the LMP2 level, using the three most stable canonical MP2 structures as initial geometries, all collapsed to a single minimum corresponding to an asymmetric structural arrangement. A canonical MP2 single point calculation, at that geometry, revealed that the LMP2 minimum structure is virtually as stable as the lowest minima on the canonical MP2 PES. Based on these calculations the global minimum of the ammonia dimer was assigned to a part of the PES represented by an asymmetric structure with an equilibrium dissociation energy of 13.5±0.3 kJ mol^?1