{"title":"暖致密氙的状态方程和休格尼奥特:平均原子-侏罗模型的应用","authors":"Guicun Ma, Jin Qi","doi":"10.1016/j.hedp.2024.101083","DOIUrl":null,"url":null,"abstract":"<div><p>In warm dense xenon, thermally excited and pressure-ionized electrons are essential for calculating the equation of state; however, the classical Thomas Fermi model is unsuitable for describing this state. Therefore it is necessary to find an appropriate theoretical model to express the thermal characteristics of electrons in warm dense Xe. In this study, we use the average atom-in-jellium(AJ) model to compute the contribution of thermally excited and pressure-ionized electrons of Xe over a wide range of temperatures and densities. The electron resonance state in the AJ model is treated by the adaptive mesh movement method. Moreover a method for correcting the cold pressure curve(which is used in the liquid phase calculations) in the AJ model is proposed. For the liquid phase, the ion motion contribution is expressed by the liquid perturbation theory of the corrected rigid-ion sphere model. For the solid phase, the ion motion contribution is described by the Debye model combined with anharmonic correction. Our calculated Hugoniot curve of Xe coincides with those of the experiments, first-principles density functional calculations and other theoretical models. The melting line of Xe is also consistent with the results of first-principle calculations and other theoretical models.</p></div>","PeriodicalId":49267,"journal":{"name":"High Energy Density Physics","volume":"50 ","pages":"Article 101083"},"PeriodicalIF":1.6000,"publicationDate":"2024-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Equation of state and Hugoniot of warm dense xenon: Application of average atom-in-jellium model\",\"authors\":\"Guicun Ma, Jin Qi\",\"doi\":\"10.1016/j.hedp.2024.101083\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>In warm dense xenon, thermally excited and pressure-ionized electrons are essential for calculating the equation of state; however, the classical Thomas Fermi model is unsuitable for describing this state. Therefore it is necessary to find an appropriate theoretical model to express the thermal characteristics of electrons in warm dense Xe. In this study, we use the average atom-in-jellium(AJ) model to compute the contribution of thermally excited and pressure-ionized electrons of Xe over a wide range of temperatures and densities. The electron resonance state in the AJ model is treated by the adaptive mesh movement method. Moreover a method for correcting the cold pressure curve(which is used in the liquid phase calculations) in the AJ model is proposed. For the liquid phase, the ion motion contribution is expressed by the liquid perturbation theory of the corrected rigid-ion sphere model. For the solid phase, the ion motion contribution is described by the Debye model combined with anharmonic correction. Our calculated Hugoniot curve of Xe coincides with those of the experiments, first-principles density functional calculations and other theoretical models. The melting line of Xe is also consistent with the results of first-principle calculations and other theoretical models.</p></div>\",\"PeriodicalId\":49267,\"journal\":{\"name\":\"High Energy Density Physics\",\"volume\":\"50 \",\"pages\":\"Article 101083\"},\"PeriodicalIF\":1.6000,\"publicationDate\":\"2024-02-03\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"High Energy Density Physics\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1574181824000089\",\"RegionNum\":3,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"PHYSICS, FLUIDS & PLASMAS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"High Energy Density Physics","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1574181824000089","RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"PHYSICS, FLUIDS & PLASMAS","Score":null,"Total":0}
引用次数: 0
摘要
在暖氲氙中,热激发电子和压力离子化电子对于计算状态方程至关重要;然而,经典的托马斯-费米模型并不适合描述这种状态。因此,有必要找到一个合适的理论模型来表达暖致密氙中电子的热特性。在本研究中,我们使用平均原子阱(AJ)模型来计算 Xe 在较宽温度和密度范围内的热激发电子和压力离子化电子的贡献。AJ 模型中的电子共振态是通过自适应网格移动方法处理的。此外,还提出了一种修正 AJ 模型中冷压曲线(用于液相计算)的方法。对于液相,离子运动的贡献由修正的刚性离子球模型的液体扰动理论表示。对于固相,离子运动的贡献由结合了非谐波校正的 Debye 模型来描述。我们计算出的氙的休格诺曲线与实验、第一原理密度泛函计算和其他理论模型的曲线相吻合。氙的熔化线也与第一原理计算和其他理论模型的结果一致。
Equation of state and Hugoniot of warm dense xenon: Application of average atom-in-jellium model
In warm dense xenon, thermally excited and pressure-ionized electrons are essential for calculating the equation of state; however, the classical Thomas Fermi model is unsuitable for describing this state. Therefore it is necessary to find an appropriate theoretical model to express the thermal characteristics of electrons in warm dense Xe. In this study, we use the average atom-in-jellium(AJ) model to compute the contribution of thermally excited and pressure-ionized electrons of Xe over a wide range of temperatures and densities. The electron resonance state in the AJ model is treated by the adaptive mesh movement method. Moreover a method for correcting the cold pressure curve(which is used in the liquid phase calculations) in the AJ model is proposed. For the liquid phase, the ion motion contribution is expressed by the liquid perturbation theory of the corrected rigid-ion sphere model. For the solid phase, the ion motion contribution is described by the Debye model combined with anharmonic correction. Our calculated Hugoniot curve of Xe coincides with those of the experiments, first-principles density functional calculations and other theoretical models. The melting line of Xe is also consistent with the results of first-principle calculations and other theoretical models.
期刊介绍:
High Energy Density Physics is an international journal covering original experimental and related theoretical work studying the physics of matter and radiation under extreme conditions. ''High energy density'' is understood to be an energy density exceeding about 1011 J/m3. The editors and the publisher are committed to provide this fast-growing community with a dedicated high quality channel to distribute their original findings.
Papers suitable for publication in this journal cover topics in both the warm and hot dense matter regimes, such as laboratory studies relevant to non-LTE kinetics at extreme conditions, planetary interiors, astrophysical phenomena, inertial fusion and includes studies of, for example, material properties and both stable and unstable hydrodynamics. Developments in associated theoretical areas, for example the modelling of strongly coupled, partially degenerate and relativistic plasmas, are also covered.