Browsing Chemistry Faculty Research, Publications and Presentations by Title
Now showing items 202-221 of 234
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Temperature dependent lattice misfit and coherency of Al3X (X = Sc, Zr, Ti and Nb) particles in an Al matrix
The lattice coherency and critical radii for Al3X precipitates in an aluminum matrix were computed using first-principles methods. From density functional perturbation theory and the quasi-harmonic approximation, the unit ... -
Thermal and Diffraction Studies of Phase-Transitions in the Incommensurate Compound [P(Ch3)(4)]2CuCl4
Calorimetric and x-ray-diffraction studies of the commensurate -
Thermal and lattice dynamical properties of Na8Si46 clathrate
The experimental heat capacity of Na8Si46 has been determined from 35-300 K, and its lattice parameters have been measured over the range 100-330 K. The experimental heat capacity and the thermal-expansion coefficient ... -
Thermal conductivities of a clathrate with and without guest molecules.
The thermal conductivities of Dianin's compd. [4-(p-hydroxyphenyl)-2,2,4-trimethylchroman] and its ethanol adduct in the temp. range 20-250 K are reported. This clathrate has the same stable structure both with and without ... -
Thermal conductivity of (Er1-xYx)(2)Ti2O7 pyrochlore oxide solid solutions
The thermal conductivities of pyrochlore oxide solid solutions of general formula (Er1-xYx)(2)Ti2O7 with 0 <= x <= 1 have been determined for high-quality single crystals aligned along the [110] direction, over the ... -
Thermal, vibrational, and thermoelastic properties of Y2Mo3O12 and their relations to negative thermal expansion
Y2 Mo3O12, a material that exhibits negative thermal expansion (NTE) from 10 to 1173 K, offers an excellent opportunity to examine relationships between NTE and other physical properties over a wide temperature range. We ... -
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Thermodynamic Characterization of the Low-Temperature Phase-Transformations in Koh and Kod
No abstract available. -
A thermodynamic investigation of dynamical disorder in phase II of CBr4.
CBr4 is an archetypal example of a pseudospherical mol. that can form an orientationally disordered phase (phase I, 320 K < T < 365 K). At lower temps., phase II is the stable phase; although it must be more ordered than ... -
Topological constraints and the Makishima–Mackenzie model
Computations of the elastic properties of networks with bond stretch and bond angle bend forces are carried out in order to study their behavior as a function of average coordination number. It is found that the elastic ... -
Transport properties of Na8Si46
We report on transport properties of polycrystalline Na8Si46 in the temperature range 10 to 300 K. The compound is a type I clathrate with Na incorporated into polyhedra formed by framework Si atoms. Seebeck coefficient ... -
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