تقرير
Third density and acoustic virial coefficients of helium isotopologues from ab initio calculations
| العنوان: | Third density and acoustic virial coefficients of helium isotopologues from ab initio calculations |
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| المؤلفون: | Binosi, Daniele, Garberoglio, Giovanni, Harvey, Allan H. |
| المصدر: | J. Chem. Phys. 160, 244305 (2024) |
| سنة النشر: | 2024 |
| المجموعة: | Condensed Matter Physics (Other) |
| مصطلحات موضوعية: | Physics - Chemical Physics, Condensed Matter - Statistical Mechanics, Physics - Atomic and Molecular Clusters |
| الوصف: | Improved two-body and three-body potentials for helium have been used to calculate from first principles the third density and acoustic virial coefficients for both $^4$He and $^3$He. For the third density virial coefficient $C(T)$, uncertainties have been reduced by a factor of 4--5 compared to the previous state of the art; the accuracy of first-principles $C(T)$ now exceeds that of the best experiments by more than two orders of magnitude. The range of calculations has been extended to temperatures as low as 0.5~K. For the third acoustic virial coefficient $\gamma_a(T)$, we applied the Schlessinger Point Method, which can calculate $\gamma_a$ and its uncertainty based on the $C(T)$ data, overcoming some limitations of direct path-integral calculation. The resulting $\gamma_a$ are calculated at temperatures down to 0.5~K; they are consistent with available experimental data but have much smaller uncertainties. The first-principles data presented here will enable improvement of primary temperature and pressure metrology based on gas properties. Comment: 21 pages, 14 figures |
| نوع الوثيقة: | Working Paper |
| DOI: | 10.1063/5.0217852 |
| URL الوصول: | http://arxiv.org/abs/2405.04353 |
| رقم الأكسشن: | edsarx.2405.04353 |
| قاعدة البيانات: | arXiv |
| DOI: | 10.1063/5.0217852 |
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