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Full-Text Articles in Physical Sciences and Mathematics

Computational Studies Of Ion Transport In Polymer Electrolytes, Hui Wu Oct 2011

Computational Studies Of Ion Transport In Polymer Electrolytes, Hui Wu

Doctoral Dissertations

Improving ionic conductivity and lithium mobility in polymer electrolytes is important for their practical use for battery electrolytes. In this study, a combination of molecular dynamics and Monte Carlo simulations was used to bring insight into lithium ion transport in poly(ethylene oxide) (PEO) with plasticizers and also next to alumina solid surface doped with lithium salt. The simulations were performed using a moderately high molecular weight polymer (Mn = 10,000 g/mol) at an EO:Li ratio of 15. For the plasticized system, the PEO with LiN(CF3SO 2)2 (LiTFSI) was mixed with 10 wt% plasticizers that included either cyclic ethylene carbonate …


Co2 Diffusion Through Gelatin Experiment, Jennifer Welborn Jan 2011

Co2 Diffusion Through Gelatin Experiment, Jennifer Welborn

STEM Digital

An example of measuring lengths.


In-Field Jc Improvement By Oxygen-Free Pyrene Gas Diffusion Into Highly Dense Mgb2 Superconductor, Minoru Maeda, Jung Ho Kim, Y Zhao, Yoon-Uk Heo, K Takase, Y Kubota, C Moriyoshi, F Yoshida, Y Kuroiwa, S X. Dou Jan 2011

In-Field Jc Improvement By Oxygen-Free Pyrene Gas Diffusion Into Highly Dense Mgb2 Superconductor, Minoru Maeda, Jung Ho Kim, Y Zhao, Yoon-Uk Heo, K Takase, Y Kubota, C Moriyoshi, F Yoshida, Y Kuroiwa, S X. Dou

Australian Institute for Innovative Materials - Papers

Oxygen-free pyrene gas as a carbon (C) dopant was delinked and incorporated into highly dense MgB2 structure via a gas phase diffusion method. The technique offers the advantages that molecular C is homogeneously distributed into MgB2 and substituted at the boron sites without any severe deterioration of grain connectivity. The C substitution causes a significant shrinkage of the a-lattice parameter and an increase in the lattice strain, resulting in high disorder. The introduction of structural disorder as a result of C doping leads to a considerable enhancement of the in-field critical current density (Jc) and upper critical …


Position Preference And Diffusion Path Of An Oxygen Ion In Apatite-Type Lanthanum Silicate La9.33si6o26: A Density Functional Study, Ting Liao, Taizo Sasaki, Shigeru Suehara, Ziqi Sun Jan 2011

Position Preference And Diffusion Path Of An Oxygen Ion In Apatite-Type Lanthanum Silicate La9.33si6o26: A Density Functional Study, Ting Liao, Taizo Sasaki, Shigeru Suehara, Ziqi Sun

Australian Institute for Innovative Materials - Papers

Using density functional theory, we investigated the position preference and diffusion mechanisms of interstitial oxygen ions in lanthanum silicate La9.33Si6O26, which is an apatite-structured oxide and a promising candidate electrolyte material for solid oxide fuel cells. The reported lanthanum vacancies were explicitly taken into account by theoretically determining their arrangement with a supercell model. The most stable structures and the formation energies of oxygen interstitials were determined for each charged state. It was found that the double-negatively charged state is stable over a wide range of the Fermi level, and that the excess oxygen …