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C A Tulk

Publications and source records attributed to C A Tulk.

5 recordsLinked to original sources
PubMed2006

Adding a length scale to the polyamorphic ice debate.

X-ray scattering and molecular dynamics simulations have been used to correlate the short range oxygen-oxygen structure with the intermediate range ordering (IRO) upon annealing very high density amorphous ice. While it is clear that the IRO that defines the network structure breaks down continuously to a minimum level, where there are weakened correlations extending beyond 7 Angstrom, at this point the local structure (O-O-O angles) is observed to change abruptly, allowing a continuous reemergence of a new IRO network. This is very different from a classic first order transition and helps reconcile previous data.

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PubMed2004

Formation and structure of a dense octahedral glass.

We have performed in situ x-ray and neutron-diffraction measurements, and molecular dynamics simulations, of GeO2, an archetypal network-forming glass under pressure. Below 5 GPa, additional atoms encroaching on the first tetrahedral shell are seen to be a precursor of local coordination change. Between 6 and 10 GPa, we observe structures with a constant average coordination of approximately 5, indicating a new metastable, intermediate form of the glass. At 15 GPa, the structure of a fully octahedral glass has been measured. This structure is not retained upon decompression and, therefore, must be studied in situ.

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PubMed2002

Structural studies of several distinct metastable forms of amorphous ice.

Structural changes during annealing of high-density amorphous ice were studied with both neutron and x-ray diffraction. The first diffraction peak was followed from the high- to the low-density amorphous form. Changes were observed to occur through a series of intermediate forms that appear to be metastable at each anneal temperature. Five distinct amorphous forms were studied with neutron scattering, and many more forms may be possible. Radial distribution functions indicate that the structure evolves systematically between 4 and 8 angstroms. The phase transformations in low-temperature liquid water may be much more complex than currently understood.

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PubMed2000

Origin of low-frequency local vibrational modes in high density amorphous ice.

Incoherent-inelastic neutron scattering data are obtained from 5-80 K for high-density amorphous (hda) ice in the region 0-135 cm(-1). An excess contribution to the vibrational density of states is identified near 20 cm(-1). The origin of these vibrations has been identified by lattice dynamics calculations on an "experimental" structure derived from reverse Monte Carlo analysis of hda ice neutron diffraction data. An interpretation that localized oscillations of short chains and isolated water molecules are responsible for the excess low-frequency modes is consistent with our data.

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