2,744 research outputs found
A Potential Energy Landscape Study of the Amorphous-Amorphous Transformation in HO
We study the potential energy landscape explored during a
compression-decompression cycle for the SPC/E (extended simple point charge)
model of water. During the cycle, the system changes from low density amorphous
ice (LDA) to high density amorphous ice (HDA). After the cycle, the system does
not return to the same region of the landscape, supporting the interesting
possibility that more than one significantly different configuration
corresponds to LDA. We find that the regions of the landscape explored during
this transition have properties remarkably different from those explored in
thermal equilibrium in the liquid phase
Ice XII in its second regime of metastability
We present neutron powder diffraction results which give unambiguous evidence
for the formation of the recently identified new crystalline ice phase[Lobban
et al.,Nature, 391, 268, (1998)], labeled ice XII, at completely different
conditions. Ice XII is produced here by compressing hexagonal ice I_h at T =
77, 100, 140 and 160 K up to 1.8 GPa. It can be maintained at ambient pressure
in the temperature range 1.5 < T < 135 K. High resolution diffraction is
carried out at T = 1.5 K and ambient pressure on ice XII and accurate
structural properties are obtained from Rietveld refinement. At T = 140 and 160
K additionally ice III/IX is formed. The increasing amount of ice III/IX with
increasing temperature gives an upper limit of T ~ 150 K for the successful
formation of ice XII with the presented procedure.Comment: 3 Pages of RevTeX, 3 tables, 3 figures (submitted to Physical Review
Letters
Scanning Electron Microscopy - Energy Dispersive Spectroscopy and X-Ray Diffraction Analyses of Human Salivary Stones
Ten salivary stones in the human submandibular gland were investigated by scanning electron microscopy-energy dispersive spectroscopy (SEM-EDS) and X-ray diffraction analyses. The stones usually showed a lamellar pattern. SEM observations revealed cubical, plate-like, granular, small and large granules, polyhedral or globular structures in these stones. By X-ray powder diffraction analysis, the main constituents of salivary stones were found to be apatite and whitlockite. SEM-EDS analyses showed that Ca and P were the major elements, frequently accompanied by Mg and S, and less frequently by Na, Al, Si, Cl, K, Fe, Cu and Zn. Ca/P molar ratios ranged from 1.00 to 2.00 with the average of 1.53, showing two maxima of about 1.50 and 1.60. The Ca/P molar ratio of about 1.50 corresponded to the value of whitlockite. The Ca/P molar ratio of 1.60 corresponded approximately to the value of apatite
Relation between the High Density Phase and the Very-High Density Phase of Amorphous Solid Water
It has been suggested that high-density amorphous (HDA) ice is a structurally
arrested form of high-density liquid (HDL) water, while low-density amorphous
(LDA) ice is a structurally arrested form of low-density liquid (LDL) water.
Recent experiments and simulations have been interpreted to support the
possibility of a second "distinct" high-density structural state, named very
high-density amorphous (VHDA) ice, questioning the LDL-HDL hypothesis. We test
this interpretation using extensive computer simulations, and find that VHDA is
a more stable form of HDA and that in fact VHDA should be considered as the
amorphous ice of the quenched HDL.Comment: 5 pages, 4 fig
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