Free energy and surface tension of arbitrarily large Mackay icosahedral clusters

We present a model for predicting the free energy of arbitrarily large Mackay icosahedral clusters. van der Waals clusters are experimentally observed to be particularly stable at magic numbers corresponding to these structures. Explicit calculations on the vibrational states were used to determine the spectrum of fundamental frequencies for smaller (~561 atoms). Combining these predictions with correlations for the moment of inertia and for the minimum potential energy of large clusters leads to free energies of arbitrary large clusters. The free energies are used to predict the chemical potential and surface tension as a function of size and temperature. This connects macroscopic properties to the microscopic atomic parameters

The hindered rotor density-of-states interpolation function

We construct an approximation to the partition function for hindered rotors based entirely on their asymptotic behavior and no fitting parameters. The approximant is shown to be quite accurate in all temperature ranges. Explicit auxiliary functions are derived for the Helmholtz free energy, internal energy, heat capacity, and entropy. We apply this function to estimating the heat capacity and unimolecular dissociation rate for ethane

Thermodynamic properties and homogeneous nucleation rates for surface-melted physical clusters

We predict the free energy of van der Waals clusters (Fn) in the surface-melted temperature regime. These free energies are used to predict the bulk chemical potential, surface tension, Tolman length, and vapor pressure of noble gas crystals. Together, these estimates allow us to make definitive tests of the capillarity approximation in classical homogeneous nucleation theory. We find that the capillarity approximation underestimates the nucleation rate by thirty orders of magnitude for argon. The best available experiments are consistent with our calculation of nucleation rate as a function of temperature and pressure. We suggest experimental conditions appropriate for determining quantitative nucleation rates which would be invaluable in guiding further development of the theory. To make the predictions of Fn, we develop the Shellwise Lattice Search (SLS) algorithm to identify isomer fragments and the Linear Group Contribution (LGC) method to estimate the energy of isomers composed of those fragments. Together, SLS/LGC approximates the distribution of isomers which contribute to the configurational partition function (for up to 147-atom clusters). Estimates of the remaining free energy contributions come from a previous paper in this series

Is Latin America saying adios to market-friendly reforms?

This issue of the Economic Letter finds that Latin America hasn't lost faith in open markets, despite recent left-leaning election results. ; In analyzing several economic policy measures for 12 nations that make up the bulk of the Latin American population, authors William C. Gruben and Richard Alm find no wholesale erosion of market-based policies outside of Argentina, the Dominican Republic and Venezuela, and most countries are running in place.

Elephant cognition in primate perspective

On many of the staple measures of comparative psychology, elephants show no obvious differences from other mammals, such as primates: discrimination learning, memory, spontaneous tool use, etc. However, a range of more naturalistic measures have recently suggested that elephant cognition may be rather different. Wild elephants sub-categorize humans into groups, independently making this classification on the basis of scent or colour. In number discrimination, elephants show no effects of absolute magnitude or relative size disparity in making number judgements. In the social realm, elephants show empathy into the problems faced by others, and give hints of special abilities in cooperation, vocal imitation and perhaps teaching. Field data suggest that the elephant’s vaunted reputation for memory may have a factual basis, in two ways. Elephants’ ability to remember large-scale space over long periods suggests good cognitive mapping skills. Elephants’ skill in keeping track of the current locations of many family members implies that working memory may be unusually developed, consistent with the laboratory finding that their quantity judgements do not show the usual magnitude effects.Publisher PDFPeer reviewe

Volumetric measurement of tank volume

A method is disclosed for determining the volume of compressible gas in a system including incompressible substances in a zero-gravity environment consisting of measuring the change in pressure (delta P) for a known volume change rate (delta V/delta t) in the polytrophic region between isothermal and adiabatic conditions. The measurements are utilized in an idealized formula for determining the change in isothermal pressure (delta P sub iso) for the gas. From the isothermal pressure change (delta iso) the gas volume is obtained. The method is also applicable to determination of gas volume by utilizing work (W) in the compression process. In a passive system, the relationship of specific densities can be obtained

TEXAS FIELD CROPS: ESTIMATION WITH CURVATURE

Some implications of theory are easily maintained in econometric estimation, but computational costs of maintaining curvature properties (sufficient for existence of an optimal solution) have often proved prohibitive. They also have been violated frequently by unrestricted econometric estimates. A computationally manageable procedure for maintaining and testing curvature is used here to obtain estimates of product supplies and input demands for Texas field crops consistent with the theory of the competitive industry. The curvature properties are tested along with several technology restrictions.Crop Production/Industries,