Mean-field theory of orientational ordering in rigid rotor models with identical atoms: spin conversion and thermal equilibration
In coupled rotor models which describe identical rotating nuclei the nuclear spin states restrict the possible angular momenta of each molecule. There are two mean-field approaches to determining the orientational phase diagrams in such systems. In one the nuclear spin conversion times are assumed t...
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| Опубліковано в: : | Физика низких температур |
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| Дата: | 2010 |
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| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
2010
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| Онлайн доступ: | https://nasplib.isofts.kiev.ua/handle/123456789/116965 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Mean-field theory of orientational ordering in rigid rotor models with identical atoms: spin conversion and thermal equilibration / B. Hetényi // Физика низких температур. — 2010. — Т. 36, № 3. — С. 328-334. — Бібліогр.: 30 назв. — англ. |
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nasplib_isofts_kiev_ua-123456789-116965 |
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Hetényi, B. 2017-05-18T16:09:18Z 2017-05-18T16:09:18Z 2010 Mean-field theory of orientational ordering in rigid rotor models with identical atoms: spin conversion and thermal equilibration / B. Hetényi // Физика низких температур. — 2010. — Т. 36, № 3. — С. 328-334. — Бібліогр.: 30 назв. — англ. 0132-6414 PACS: 64.60.Bd, 64.60.De, 65.40.gd, 64.70.kt https://nasplib.isofts.kiev.ua/handle/123456789/116965 In coupled rotor models which describe identical rotating nuclei the nuclear spin states restrict the possible angular momenta of each molecule. There are two mean-field approaches to determining the orientational phase diagrams in such systems. In one the nuclear spin conversion times are assumed to be instantaneous in the other infinite. In this paper the intermediate case, when the spin conversion times are significantly slower than those of rotational time scales, but are not infinite on the time-scale of the experiment, is investigated. Via incorporation of the configurational degeneracy it is shown that in the thermodynamic limit the mean-field approach in the intermediate case is identical to the instantaneous spin conversion time approximation. The total entropy can be split into configurational and rotational terms. The mean-field phase diagram of a model of coupled rotors of three-fold symmetry is also calculated in the two approximations. It is shown that the configurational entropy has a maximum as a function of temperature which shifts to lower temperatures with increasing order. Part of this work was performed at the Institut für Theoretische Physik at TU-Graz under FWF (Förderung der wissenschaftlichen Forschung) grant number P21240-N16. Part of this work was performed under the HPCEUROPA2 project (project number 228398). en Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України Физика низких температур Физические свойства криокристаллов Mean-field theory of orientational ordering in rigid rotor models with identical atoms: spin conversion and thermal equilibration Article published earlier |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| title |
Mean-field theory of orientational ordering in rigid rotor models with identical atoms: spin conversion and thermal equilibration |
| spellingShingle |
Mean-field theory of orientational ordering in rigid rotor models with identical atoms: spin conversion and thermal equilibration Hetényi, B. Физические свойства криокристаллов |
| title_short |
Mean-field theory of orientational ordering in rigid rotor models with identical atoms: spin conversion and thermal equilibration |
| title_full |
Mean-field theory of orientational ordering in rigid rotor models with identical atoms: spin conversion and thermal equilibration |
| title_fullStr |
Mean-field theory of orientational ordering in rigid rotor models with identical atoms: spin conversion and thermal equilibration |
| title_full_unstemmed |
Mean-field theory of orientational ordering in rigid rotor models with identical atoms: spin conversion and thermal equilibration |
| title_sort |
mean-field theory of orientational ordering in rigid rotor models with identical atoms: spin conversion and thermal equilibration |
| author |
Hetényi, B. |
| author_facet |
Hetényi, B. |
| topic |
Физические свойства криокристаллов |
| topic_facet |
Физические свойства криокристаллов |
| publishDate |
2010 |
| language |
English |
| container_title |
Физика низких температур |
| publisher |
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України |
| format |
Article |
| description |
In coupled rotor models which describe identical rotating nuclei the nuclear spin states restrict the possible angular momenta of each molecule. There are two mean-field approaches to determining the orientational phase diagrams in such systems. In one the nuclear spin conversion times are assumed to be instantaneous in the other infinite. In this paper the intermediate case, when the spin conversion times are significantly slower than those of rotational time scales, but are not infinite on the time-scale of the experiment, is investigated. Via incorporation of the configurational degeneracy it is shown that in the thermodynamic limit the mean-field approach in the intermediate case is identical to the instantaneous spin conversion time approximation. The total entropy can be split into configurational and rotational terms. The mean-field phase diagram of a model of coupled rotors of three-fold symmetry is also calculated in the two approximations. It is shown that the configurational entropy has a maximum as a function of temperature which shifts to lower temperatures with increasing order.
|
| url |
https://nasplib.isofts.kiev.ua/handle/123456789/116965 |
| citation_txt |
Mean-field theory of orientational ordering in rigid rotor models with identical atoms: spin conversion and thermal equilibration / B. Hetényi // Физика низких температур. — 2010. — Т. 36, № 3. — С. 328-334. — Бібліогр.: 30 назв. — англ. |
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2025-12-07T20:50:58Z |
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