O-site and T-site Occupation of α-phase PdH[subscript x] and PdD[subscript x]
An important study of the solubility of hydrogen in α-phase PdH[subscript x] and deuterium in α-phase PdH[subscript x] over a wide temperature range was published by Clewley et al. (J. Chem. Soc., Faraday Trans. 1: Phy. Chem. Condensed Phases 69 (1973) 449–458). An analysis of the data based on an...
| Main Author: | |
|---|---|
| Other Authors: | |
| Format: | Article |
| Published: |
International Society of Condensed Matter Nuclear Scientists (ISCMNS)
2019
|
| Online Access: | https://hdl.handle.net/1721.1/122629 |
| _version_ | 1811084701184557056 |
|---|---|
| author | Hagelstein, Peter L |
| author2 | Massachusetts Institute of Technology. Department of Electrical Engineering and Computer Science |
| author_facet | Massachusetts Institute of Technology. Department of Electrical Engineering and Computer Science Hagelstein, Peter L |
| author_sort | Hagelstein, Peter L |
| collection | MIT |
| description | An important study of the solubility of hydrogen in α-phase PdH[subscript x] and deuterium in α-phase PdH[subscript x] over a wide temperature range was published by Clewley et al. (J. Chem. Soc., Faraday Trans. 1: Phy. Chem. Condensed Phases 69 (1973) 449–458). An analysis of the data based on an empirical solubility model based on O-site occupation allows for an understanding of the data at low temperature, but probably is not a good starting place for understanding the solubility at high temperature. We have applied a recently developed empirical model for both O-site and T-site occupation to this data set, and find good agreement between data and a basic version of the model which assumes that the O-site and T-site partition functions are taken to be harmonic oscillator partition functions. Even better agreement is obtained when a more realistic O-site partition function is used. A range of optimum models with different assumptions about the T-site partition function is considered, and it is found to be possible to select one that matches the T-site occupation at zero loading inferred from neutron diffraction measurements of Pitt and Gray (Europhys. Let. 64 (2003) 344). The O-site to T-site excitation energy is assumed independent of temperature in these models, and we obtain specific model values of 105.3 meV for α-phase PdH[subscript x] and 106.5 meV for α-phase PdH[subscript x]. Keywords: Empirical model; Mean-field lattice gas model; Solubility; α-phase PdH[subscript x] and PdD[subscript x]; Tetrahedral occupation |
| first_indexed | 2024-09-23T12:56:14Z |
| format | Article |
| id | mit-1721.1/122629 |
| institution | Massachusetts Institute of Technology |
| last_indexed | 2024-09-23T12:56:14Z |
| publishDate | 2019 |
| publisher | International Society of Condensed Matter Nuclear Scientists (ISCMNS) |
| record_format | dspace |
| spelling | mit-1721.1/1226292022-10-01T12:00:00Z O-site and T-site Occupation of α-phase PdH[subscript x] and PdD[subscript x] Hagelstein, Peter L Massachusetts Institute of Technology. Department of Electrical Engineering and Computer Science An important study of the solubility of hydrogen in α-phase PdH[subscript x] and deuterium in α-phase PdH[subscript x] over a wide temperature range was published by Clewley et al. (J. Chem. Soc., Faraday Trans. 1: Phy. Chem. Condensed Phases 69 (1973) 449–458). An analysis of the data based on an empirical solubility model based on O-site occupation allows for an understanding of the data at low temperature, but probably is not a good starting place for understanding the solubility at high temperature. We have applied a recently developed empirical model for both O-site and T-site occupation to this data set, and find good agreement between data and a basic version of the model which assumes that the O-site and T-site partition functions are taken to be harmonic oscillator partition functions. Even better agreement is obtained when a more realistic O-site partition function is used. A range of optimum models with different assumptions about the T-site partition function is considered, and it is found to be possible to select one that matches the T-site occupation at zero loading inferred from neutron diffraction measurements of Pitt and Gray (Europhys. Let. 64 (2003) 344). The O-site to T-site excitation energy is assumed independent of temperature in these models, and we obtain specific model values of 105.3 meV for α-phase PdH[subscript x] and 106.5 meV for α-phase PdH[subscript x]. Keywords: Empirical model; Mean-field lattice gas model; Solubility; α-phase PdH[subscript x] and PdD[subscript x]; Tetrahedral occupation 2019-10-18T16:23:51Z 2019-10-18T16:23:51Z 2015 Article http://purl.org/eprint/type/JournalArticle 2227-3123 https://hdl.handle.net/1721.1/122629 Hagelstein, Peter L. "O-site and T-site Occupation of α-phase PdH[subscript x] and PdD[subscript x]." Journal of Condensed Matter Nuclear Science, 17 (2015): 67–90 © 2015 www.iscmns.org/CMNS/JCMNS-Vol17.pdf Journal of Condensed Matter Nuclear Science 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. application/pdf International Society of Condensed Matter Nuclear Scientists (ISCMNS) Prof. Hagelstein |
| spellingShingle | Hagelstein, Peter L O-site and T-site Occupation of α-phase PdH[subscript x] and PdD[subscript x] |
| title | O-site and T-site Occupation of α-phase PdH[subscript x] and PdD[subscript x] |
| title_full | O-site and T-site Occupation of α-phase PdH[subscript x] and PdD[subscript x] |
| title_fullStr | O-site and T-site Occupation of α-phase PdH[subscript x] and PdD[subscript x] |
| title_full_unstemmed | O-site and T-site Occupation of α-phase PdH[subscript x] and PdD[subscript x] |
| title_short | O-site and T-site Occupation of α-phase PdH[subscript x] and PdD[subscript x] |
| title_sort | o site and t site occupation of α phase pdh subscript x and pdd subscript x |
| url | https://hdl.handle.net/1721.1/122629 |
| work_keys_str_mv | AT hagelsteinpeterl ositeandtsiteoccupationofaphasepdhsubscriptxandpddsubscriptx |