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We study the internal structure of nanometer-sized D2O-nonane aerosol droplets formed in supersonic nozzle expansions using a variety of experimental techniques including small angle X-ray scattering (SAXS). By fitting the SAXS spectra to a wide range of droplet structure models, we find that the experimental results are inconsistent with mixed droplets that form aqueous core-organic shell structures, but are quite consistent with spherically asymmetric lens-on-sphere structures. The structure that agrees best with the SAXS data and Fourier transform infra-red spectroscopy measurements is that of a nonane lens on a sphere of D2O with a contact angle in the range of 40°-120°. [ABSTRACT FROM AUTHOR]

Two recently synthesized crystalline materials which belong to the LiPON materials family, Li12P3N9 and it’s high–pressure polymorph Li4PN3, have been computationally examined as solid electrolytes for the usage in Li–ion batteries through first–principles simulations. The simulations of the idealized electrolyte properties of both materials suggests that these materials are promising solid electrolytes. The simulated crystal structures of both materials found to be in good agreement with experimental data, the phase transition between Li12P3N9 and Li4PN3 at high pressure has been validated through the simulations and found to be consistent with computational and experimental literature. The Li–ion migration analysis predicts that these materials are a very promising conductors for Li–ions with a calculated value for the activation energy comparable and even smaller to those of good solid electrolytes in the same materials family. The Li–ion migration analysis also suggests that the Li–ion migration is dominated with the vacancy migration mechanism which takes place along the three diffusion axes in Li12P3N4 and along the c–axis only in Li4PN3. The simulations of idealized interfaces with metallic Li anode demonstrate that these materials are likely to form a metastable interfaces with Li metal. [ABSTRACT FROM AUTHOR]

The original formula of Gibbs for the reversible work of critical nucleus formation is evaluated in three approximate ways for ordinary and heavy water. The least approximate way employs an equation of state to evaluate the pressure difference between the new and old phases. This form of the theory yields a temperature dependence for the nucleation rate close to that observed experimentally. This is a substantial improvement over the most commonly used (and most approximate) form of classical theory.© 2004 American Institute of Physics. [ABSTRACT FROM AUTHOR]