357 research outputs found
Amorphization induced by pressure: results for zeolites and general implications
We report an {\sl ab initio} study of pressure-induced amorphization (PIA) in
zeolites, which are model systems for this phenomenon. We confirm the
occurrence of low-density amorphous phases like the one reported by Greaves
{\sl et al.} [Science {\bf 308}, 1299 (2005)], which preserves the crystalline
topology and might constitute a new type of glass. The role of the zeolite
composition regarding PIA is explained. Our results support the correctness of
existing models for the basic PIA mechanim, but suggest that energetic, rather
than kinetic, factors determine the irreversibility of the transition.Comment: 4 pages with 3 figures embedded. More information at
http://www.icmab.es/dmmis/leem/jorg
Low temperature structural phase transition and incommensurate lattice modulation in the spin gap compound BaCuSi2O6
Results of high resolution x-ray diffraction experiments are presented for
single crystals of the spin gap compound BaCuSiO in the temperature
range from 16 to 300 K. The data show clear evidence of a transition from the
room temperature tetragonal phase into an incommensurately modulated
orthorhombic structure below 100 K. This lattice modulation is
characterized by a resolution limited wave vector {\bf
q}=(0,0.13,0) and its 2 and 3 harmonics. The phase
transition is first order and exhibits considerable hysteresis. This
observation implies that the spin Hamiltonian representing the system is more
complex than originally thought.Comment: 4 pages, 4 figure
Single-crystal Ih Ice Surfaces Unveil Connection between Macroscopic and Molecular Structure
Physics and chemistry of ice surfaces are not only of fundamental interest but also have important impacts on biological and environmental processes. As ice surfaces—particularly the two prism faces—come under greater scrutiny, it is increasingly important to connect the macroscopic faces with the molecular-level structure. The microscopic structure of the ubiquitous ice Ih crystal is well-known. It consists of stacked layers of chair-form hexagonal rings referred to as molecular hexagons. Crystallographic unit cells can be assembled into a regular right hexagonal prism. The bases are labeled crystallographic hexagons. The two hexagons are rotated 30° with respect to each other. The linkage between the familiar macroscopic shape of hexagonal snowflakes and either hexagon is not obvious per se. This report presents experimental data directly connecting the macroscopic shape of ice crystals and the microscopic hexagons. Large ice single crystals were used to fabricate samples with the basal, primary prism, or secondary prism faces exposed at the surface. In each case, the same sample was used to capture both a macroscopic etch pit image and an electron backscatter diffraction (EBSD) orientation density function (ODF) plot. Direct comparison of the etch pit image and the ODF plot compellingly connects the macroscopic etch pit hexagonal profile to the crystallographic hexagon. The most stable face at the ice–water interface is the smallest area face at the ice–vapor interface. A model based on the molecular structure of the prism faces accounts for this switch
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The hired farm labor market : some recent evidence from Oregon
The issues of farm labor unionization, with its accompanying wage demands, and of raising the agricultural wage rate through legislative action, continue to receive increasing nationwide attention. However, much of the policy for dealing with this sector was formulated at a time when the wage-employment response was significantly different than it is today. There is evidence that one state, Oregon, has shifted from an inelastic hired farm labor market to an elastic market, and that the nationwide market is undergoing a similar shift at the present time. This bulletin uses traditional time-series hired farm labor models to examine the U.S. market and the Oregon market. Various estimation problems and a hypothesis about the future behavior of elasticity in this sector are discussed.Published October 1967. Facts and recommendations in this publication may no longer be valid. Please look for up-to-date information in the OSU Extension Catalog: http://extension.oregonstate.edu/catalo
First-principles study of the ferroelastic phase transition in CaCl_2
First-principles density-functional calculations within the local-density
approximation and the pseudopotential approach are used to study and
characterize the ferroelastic phase transition in calcium chloride (CaCl_2). In
accord with experiment, the energy map of CaCl_2 has the typical features of a
pseudoproper ferroelastic with an optical instability as ultimate origin of the
phase transition. This unstable optic mode is close to a pure rigid unit mode
of the framework of chlorine atoms and has a negative Gruneisen parameter. The
ab-initio ground state agrees fairly well with the experimental low temperature
structure extrapolated at 0K. The calculated energy map around the ground state
is interpreted as an extrapolated Landau free-energy and is successfully used
to explain some of the observed thermal properties. Higher-order anharmonic
couplings between the strain and the unstable optic mode, proposed in previous
literature as important terms to explain the soft-phonon temperature behavior,
are shown to be irrelevant for this purpose. The LAPW method is shown to
reproduce the plane-wave results in CaCl_2 within the precision of the
calculations, and is used to analyze the relative stability of different phases
in CaCl_2 and the chemically similar compound SrCl_2.Comment: 9 pages, 6 figures, uses RevTeX
Roughening of close-packed singular surfaces
An upper bound to the roughening temperature of a close-packed singular
surface, fcc Al (111), is obtained via free energy calculations based on
thermodynamic integration using the embedded-atom interaction model. Roughening
of Al (111) is predicted to occur at around 890 K, well below bulk melting (933
K), and it should therefore be observable, save for possible kinetic hindering.Comment: RevTeX 4 pages, embedded figure
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The hired farm labor market : a transition in Oregon agriculture
Published June 1972. Facts and recommendations in this publication may no longer be valid. Please look for up-to-date information in the OSU Extension Catalog: http://extension.oregonstate.edu/catalo
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