白矮星核中原子核二元晶体混合物的短程有序和平衡结构。

IF 2.4 3区 物理与天体物理 Q1 Mathematics
D A Baiko
{"title":"白矮星核中原子核二元晶体混合物的短程有序和平衡结构。","authors":"D A Baiko","doi":"10.1103/PhysRevE.111.045211","DOIUrl":null,"url":null,"abstract":"<p><p>Mixtures of bare atomic nuclei on a nearly uniform degenerate electron background are a realistic model of matter in the interior of white dwarfs. Despite tremendous progress in understanding their phase diagrams achieved mainly via first-principle simulations, structural, thermodynamic, and kinetic properties of such mixtures are poorly understood. We develop a semianalytic model of the crystal state of binary mixtures based on the concept of mutual short-range ordering of ions of different sorts. We derive analytic formulas for electrostatic energy of crystal mixtures, including the effect of static ion displacements from the lattice nodes, and estimate their residual entropy. Then we perform free energy minimization with respect to the order parameters for a C/O mixture at all relevant compositions and temperatures. The resulting C/O phase diagram is in a reasonable agreement with that obtained in the most recent first-principle study. The equilibrium microstructure of a crystallized mixture is shown to evolve with decrease of temperature which, in principle, can induce structural transitions. The latter will be accompanied by thermal energy release. The proposed theory opens up a path to analyze ordering and construct phase diagrams of ternary mixtures, which are of great practical interest in astrophysics, as well as to improve calcuations of electron-ion scattering rates and kinetic properties of dense crystallized matter.</p>","PeriodicalId":20085,"journal":{"name":"Physical review. E","volume":"111 4-2","pages":"045211"},"PeriodicalIF":2.4000,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Short-range ordering and equilibrium structure of binary crystal mixtures of atomic nuclei in white dwarf cores.\",\"authors\":\"D A Baiko\",\"doi\":\"10.1103/PhysRevE.111.045211\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Mixtures of bare atomic nuclei on a nearly uniform degenerate electron background are a realistic model of matter in the interior of white dwarfs. Despite tremendous progress in understanding their phase diagrams achieved mainly via first-principle simulations, structural, thermodynamic, and kinetic properties of such mixtures are poorly understood. We develop a semianalytic model of the crystal state of binary mixtures based on the concept of mutual short-range ordering of ions of different sorts. We derive analytic formulas for electrostatic energy of crystal mixtures, including the effect of static ion displacements from the lattice nodes, and estimate their residual entropy. Then we perform free energy minimization with respect to the order parameters for a C/O mixture at all relevant compositions and temperatures. The resulting C/O phase diagram is in a reasonable agreement with that obtained in the most recent first-principle study. The equilibrium microstructure of a crystallized mixture is shown to evolve with decrease of temperature which, in principle, can induce structural transitions. The latter will be accompanied by thermal energy release. The proposed theory opens up a path to analyze ordering and construct phase diagrams of ternary mixtures, which are of great practical interest in astrophysics, as well as to improve calcuations of electron-ion scattering rates and kinetic properties of dense crystallized matter.</p>\",\"PeriodicalId\":20085,\"journal\":{\"name\":\"Physical review. E\",\"volume\":\"111 4-2\",\"pages\":\"045211\"},\"PeriodicalIF\":2.4000,\"publicationDate\":\"2025-04-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Physical review. E\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://doi.org/10.1103/PhysRevE.111.045211\",\"RegionNum\":3,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"Mathematics\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physical review. E","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1103/PhysRevE.111.045211","RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"Mathematics","Score":null,"Total":0}
引用次数: 0

摘要

在几乎均匀的简并电子背景下的裸原子核混合物是白矮星内部物质的现实模型。尽管主要通过第一性原理模拟在理解它们的相图方面取得了巨大进展,但对这些混合物的结构、热力学和动力学性质的了解却很少。基于不同种类离子相互短程有序的概念,建立了二元混合物晶体态的半解析模型。我们推导了晶体混合物静电能量的解析公式,包括来自晶格节点的静电离子位移的影响,并估计了它们的剩余熵。然后,我们对C/O混合物在所有相关成分和温度下的阶数参数进行了自由能最小化。所得的C/O相图与最近第一性原理研究所得相图基本一致。结晶混合物的平衡微观结构随着温度的降低而变化,原则上可以引起结构转变。后者将伴随着热能的释放。这一理论为分析三元混合物的有序性和构建相图开辟了一条道路,在天体物理学中具有重要的实际意义,并改进了致密结晶物质的电子-离子散射率和动力学性质的计算。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Short-range ordering and equilibrium structure of binary crystal mixtures of atomic nuclei in white dwarf cores.

Mixtures of bare atomic nuclei on a nearly uniform degenerate electron background are a realistic model of matter in the interior of white dwarfs. Despite tremendous progress in understanding their phase diagrams achieved mainly via first-principle simulations, structural, thermodynamic, and kinetic properties of such mixtures are poorly understood. We develop a semianalytic model of the crystal state of binary mixtures based on the concept of mutual short-range ordering of ions of different sorts. We derive analytic formulas for electrostatic energy of crystal mixtures, including the effect of static ion displacements from the lattice nodes, and estimate their residual entropy. Then we perform free energy minimization with respect to the order parameters for a C/O mixture at all relevant compositions and temperatures. The resulting C/O phase diagram is in a reasonable agreement with that obtained in the most recent first-principle study. The equilibrium microstructure of a crystallized mixture is shown to evolve with decrease of temperature which, in principle, can induce structural transitions. The latter will be accompanied by thermal energy release. The proposed theory opens up a path to analyze ordering and construct phase diagrams of ternary mixtures, which are of great practical interest in astrophysics, as well as to improve calcuations of electron-ion scattering rates and kinetic properties of dense crystallized matter.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
Physical review. E
Physical review. E 物理-物理:流体与等离子体
CiteScore
4.60
自引率
16.70%
发文量
0
审稿时长
3.3 months
期刊介绍: Physical Review E (PRE), broad and interdisciplinary in scope, focuses on collective phenomena of many-body systems, with statistical physics and nonlinear dynamics as the central themes of the journal. Physical Review E publishes recent developments in biological and soft matter physics including granular materials, colloids, complex fluids, liquid crystals, and polymers. The journal covers fluid dynamics and plasma physics and includes sections on computational and interdisciplinary physics, for example, complex networks.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信