Statistical mechanics models for PdH[subscript x] and PdD[subscript x]
Name
ICCF20StatMech.pdf
Description
Published version
Size
378.95 KB
Format
Adobe PDF
Checksum (MD5)
6eada46d94b13d47f0917946abfd4e60
Author(s)
Hagelstein, Peter L
Date Issued
2017
Journal
Journal of Condensed Matter Nuclear Science
Publisher
International Society of Condensed Matter Nuclear Scientists (ISCMNS)
Citation
Hagelstein, Peter L. "Statistical mechanics models for PdH[subscript x] and PdD[subscript x]." Journal of Condensed Matter Nuclear Science 27 (2017): 87-97 © 2017 ISCMNS
Version
Final published version
Abstract
In recent years we have developed simple empirical mean-field statistical mechanics models for PdHx and PdDx that include both O-site and T-site occupation. A brief account of this work is given here. At low loading it is impossible to fit solubility data over a wide range of temperature assuming only O-site occupation; however, with T-site occupation a good fit is obtained and an O-site to T-site excitation energy near 105 meV is found. Results from neutron diffraction studies at modest loading, and resistance and solubility measurements at high pressure and high loading, are used to infer O-site to T-site excitation energies and develop a smooth fit. The resulting statistical mechanics models have been optimized to provide systematic results at high loading for PdH and PdD, and also to fit the isotherms of the phase diagram of PdH. Estimates for the O-site energy as a function of loading and temperature have been developed in the latter case. Keywords: Mean field model; Palladium hydride; Phase diagram; Solubility; Tetrahedral occupation
MIT Department
Massachusetts Institute of Technology. Department of Electrical Engineering and Computer Science
Terms of Use
Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
Persistent DSpace Link
DOI of Published Version
www.iscmns.org/CMNS/JCMNS-Vol24.pdf
