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| Main Authors: | , , |
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| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2412.09350 |
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| _version_ | 1866908284045230080 |
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| author | Kolevski, Kiril M. Hu, Jie-Ru Boninsegni, Massimo |
| author_facet | Kolevski, Kiril M. Hu, Jie-Ru Boninsegni, Massimo |
| contents | We investigate mixed (50/50) clusters of parahydrogen and orthodeuterium at low temperature, by means of Quantum Monte Carlo simulations. Our results provide evidence of liquid-like behavior and partial isotopic separation in a cluster of 640 molecules, at temperature T=10 K. As the temperature is lowered below ~ 6 K, crystallization occurs, with no indication that the liquid phase is more resilient at low temperature in a mixed cluster. Isotopic separation is therefore predicted to take place at low temperature only through the slow process of molecular self-diffusion in a crystalline matrix. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2412_09350 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Isotopic separation in mixed clusters of molecular hydrogen Kolevski, Kiril M. Hu, Jie-Ru Boninsegni, Massimo Mesoscale and Nanoscale Physics Materials Science We investigate mixed (50/50) clusters of parahydrogen and orthodeuterium at low temperature, by means of Quantum Monte Carlo simulations. Our results provide evidence of liquid-like behavior and partial isotopic separation in a cluster of 640 molecules, at temperature T=10 K. As the temperature is lowered below ~ 6 K, crystallization occurs, with no indication that the liquid phase is more resilient at low temperature in a mixed cluster. Isotopic separation is therefore predicted to take place at low temperature only through the slow process of molecular self-diffusion in a crystalline matrix. |
| title | Isotopic separation in mixed clusters of molecular hydrogen |
| topic | Mesoscale and Nanoscale Physics Materials Science |
| url | https://arxiv.org/abs/2412.09350 |