Atomistic modeling and experimental studies of radiation damage in monazite-type LaPO4 ceramics
We simulated the threshold displacement energies (Ed), the related displacement and defect formation probabilities, and the energy barriers in LaPO4 monazite-type ceramics. The obtained Ed values for La, P, O primary knock-on atoms (PKA) are 56eV, 75eV and 8eV, respectively. We found that these ener...
| Main Authors: | , , , , , |
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| Format: | Journal Article |
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Elsevier
2016
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| Online Access: | http://hdl.handle.net/20.500.11937/10203 |
| _version_ | 1848746167946444800 |
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| author | Ji, Y. Kowalski, P. Neumeier, S. Deissmann, G. Kulriya, P. Gale, Julian |
| author_facet | Ji, Y. Kowalski, P. Neumeier, S. Deissmann, G. Kulriya, P. Gale, Julian |
| author_sort | Ji, Y. |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | We simulated the threshold displacement energies (Ed), the related displacement and defect formation probabilities, and the energy barriers in LaPO4 monazite-type ceramics. The obtained Ed values for La, P, O primary knock-on atoms (PKA) are 56eV, 75eV and 8eV, respectively. We found that these energies can be correlated with the energy barriers that separate the defect from the initial states. The Ed values are about twice the values of energy barriers, which is explained through an efficient dissipation of the PKA kinetic energy in the considered system. The computed Ed were used in simulations of the extent of radiation damage in La0.2Gd0.8PO4 solid solution, investigated experimentally. We found that this lanthanide phosphate fully amorphises in the ion beam experiments for fluences higher than ~1013 ions/cm2. |
| first_indexed | 2025-11-14T06:28:57Z |
| format | Journal Article |
| id | curtin-20.500.11937-10203 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T06:28:57Z |
| publishDate | 2016 |
| publisher | Elsevier |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-102032018-10-16T05:58:24Z Atomistic modeling and experimental studies of radiation damage in monazite-type LaPO4 ceramics Ji, Y. Kowalski, P. Neumeier, S. Deissmann, G. Kulriya, P. Gale, Julian We simulated the threshold displacement energies (Ed), the related displacement and defect formation probabilities, and the energy barriers in LaPO4 monazite-type ceramics. The obtained Ed values for La, P, O primary knock-on atoms (PKA) are 56eV, 75eV and 8eV, respectively. We found that these energies can be correlated with the energy barriers that separate the defect from the initial states. The Ed values are about twice the values of energy barriers, which is explained through an efficient dissipation of the PKA kinetic energy in the considered system. The computed Ed were used in simulations of the extent of radiation damage in La0.2Gd0.8PO4 solid solution, investigated experimentally. We found that this lanthanide phosphate fully amorphises in the ion beam experiments for fluences higher than ~1013 ions/cm2. 2016 Journal Article http://hdl.handle.net/20.500.11937/10203 10.1016/j.nimb.2016.09.031 Elsevier fulltext |
| spellingShingle | Ji, Y. Kowalski, P. Neumeier, S. Deissmann, G. Kulriya, P. Gale, Julian Atomistic modeling and experimental studies of radiation damage in monazite-type LaPO4 ceramics |
| title | Atomistic modeling and experimental studies of radiation damage in monazite-type LaPO4 ceramics |
| title_full | Atomistic modeling and experimental studies of radiation damage in monazite-type LaPO4 ceramics |
| title_fullStr | Atomistic modeling and experimental studies of radiation damage in monazite-type LaPO4 ceramics |
| title_full_unstemmed | Atomistic modeling and experimental studies of radiation damage in monazite-type LaPO4 ceramics |
| title_short | Atomistic modeling and experimental studies of radiation damage in monazite-type LaPO4 ceramics |
| title_sort | atomistic modeling and experimental studies of radiation damage in monazite-type lapo4 ceramics |
| url | http://hdl.handle.net/20.500.11937/10203 |