Search
Now showing items 21-30 of 137
Topological constraints and the Makishima–Mackenzie model
(Elsevier, 2015-12-01)
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 ...
The heat capacities of thermomiotic ScF3 and ScF3–YF3 solid solutions
(Springer, 2015-05-01)
Scandium trifluoride (ScF3) exists in a cubic ReO3 structure that exhibits negative thermal expansion from 10 to 1100 K, while substituted Sc1−x Y x F3 materials display the same behavior at room temperature but transition ...
Relating 139La Quadrupolar Coupling Constants to Polyhedral Distortion in Crystalline Structures
(American Chemical Society, 2015-10-26)
A broad series of crystalline lanthanum oxide-based materials has been investigated through high-field 139La solid state nuclear magnetic resonance (ssNMR) spectroscopy and ab initio density functional theory (DFT) ...
Zero Thermal Expansion in ZrMgMo3O12: NMR Crystallography Reveals Origins of Thermoelastic Properties
(American Chemical Society, 2015-03-23)
The coefficient of thermal expansion of ZrMgMo3O12 has been measured and was found to be extremely close to zero over a wide temperature range including room temperature ( = (1.6 ± 0.2) × 10–7 K–1 from 25 to 450 °C by X-ray ...
Temperature dependence of thermal conductivity enhancement in single-walled carbon nanotube/polystyrene composites
(2010-02)
The thermal conductivity of single-walled carbon nanotube (SWCNT)/polystyrene composites,
prepared by a method known to produce a uniform distribution of SWCNT bundles on the micrometer
length scale, was measured in the ...
Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems
(2011)
Tandem oxy-Cope and transannular vinylogous aldol reactions and/or vinylogous retro-aldol,
conjugate addition, and transannular vinylogous aldol reactions transformed some tricyclic vinyl
enones into fused tetracycles under ...
Tailoring the local structure and electronic property of AuPd nanoparticles by selecting capping molecules.
(2010)
No abstract available.
Temperature dependent lattice misfit and coherency of Al3X (X = Sc, Zr, Ti and Nb) particles in an Al matrix
(Elsevier, 2015-05-01)
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 ...
X-ray absorption spectroscopy studies of local structure and electronic properties of NaxSi136 (0 < x < 24) clathrates
(2010-10)
We have probed both the local structure and the electronic properties of Na-containing type II
Si clathrates by x-ray absorption spectroscopy. The near-edge region of the spectrum is particularly
sensitive to the local ...