FCC缺陷合金AuCuSi和PtCuSi在压力和温度下的平衡空位浓度和热力学量

V. Le Hong, Hoc Nguyen Quang
{"title":"FCC缺陷合金AuCuSi和PtCuSi在压力和温度下的平衡空位浓度和热力学量","authors":"V. Le Hong, Hoc Nguyen Quang","doi":"10.18173/2354-1059.2021-0045","DOIUrl":null,"url":null,"abstract":"We present the analytic expressions of the cohesive energy, the alloy parameters, the equation of state, the mean nearest neighbor distance, the Helmholtz free energy, equilibrium vacancy concentration, and thermodynamic quantities such as the isothermal compressibility, the thermal expansion coefficient, the heat capacities at constant volume and constant pressure for facecentered cubic (FCC) defective ternary substitutional and interstitial alloy ABC derived by the statistical moment method (SMM). The obtained thermodynamic quantities depend on temperature, pressure, the concentration of substitutional atoms, the concentration of interstitial atoms, and equilibrium vacancy concentration. Thermodynamic quantities of FCC defective metal A, FCC defective substitutional alloy AB, and FCC defective interstitial alloy AC are specific cases for thermodynamic quantities of FCC defective ternary substitutional and interstitial alloy ABC. The theoretical results are calculated numerically to alloys AuCuSi and PtCuSi. Our calculated results of thermal expansion coefficient and heat capacities at constant pressure for main metals Au, Pt are in good agreement with experimental data. Our other calculated results for thermodynamic quantities of alloys AuCuSi and PtCuSi at different temperatures, pressure, the concentration of substitutional atoms, and concentrations of interstitial atoms orient and predict new experimental data in the future.","PeriodicalId":17007,"journal":{"name":"Journal of Science Natural Science","volume":"8 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2021-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"EQUILIBRIUM VACANCY CONCENTRATION AND THERMODYNAMIC QUANTITIES OF FCC DEFECTIVE ALLOYS AuCuSi AND PtCuSi UNDER PRESSURE AND TEMPERATURE\",\"authors\":\"V. Le Hong, Hoc Nguyen Quang\",\"doi\":\"10.18173/2354-1059.2021-0045\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"We present the analytic expressions of the cohesive energy, the alloy parameters, the equation of state, the mean nearest neighbor distance, the Helmholtz free energy, equilibrium vacancy concentration, and thermodynamic quantities such as the isothermal compressibility, the thermal expansion coefficient, the heat capacities at constant volume and constant pressure for facecentered cubic (FCC) defective ternary substitutional and interstitial alloy ABC derived by the statistical moment method (SMM). The obtained thermodynamic quantities depend on temperature, pressure, the concentration of substitutional atoms, the concentration of interstitial atoms, and equilibrium vacancy concentration. Thermodynamic quantities of FCC defective metal A, FCC defective substitutional alloy AB, and FCC defective interstitial alloy AC are specific cases for thermodynamic quantities of FCC defective ternary substitutional and interstitial alloy ABC. The theoretical results are calculated numerically to alloys AuCuSi and PtCuSi. Our calculated results of thermal expansion coefficient and heat capacities at constant pressure for main metals Au, Pt are in good agreement with experimental data. Our other calculated results for thermodynamic quantities of alloys AuCuSi and PtCuSi at different temperatures, pressure, the concentration of substitutional atoms, and concentrations of interstitial atoms orient and predict new experimental data in the future.\",\"PeriodicalId\":17007,\"journal\":{\"name\":\"Journal of Science Natural Science\",\"volume\":\"8 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2021-10-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Science Natural Science\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.18173/2354-1059.2021-0045\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Science Natural Science","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.18173/2354-1059.2021-0045","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

摘要

我们给出了黏结能、合金参数、状态方程、平均最近邻距离、亥姆霍兹自由能、平衡空位浓度和热力学量如等温压缩率、热膨胀系数、用统计矩法(SMM)推导了面心立方(FCC)缺陷三元取代间隙合金的恒容恒压热容。得到的热力学量取决于温度、压力、取代原子的浓度、间隙原子的浓度和平衡空位浓度。FCC缺陷金属A、FCC缺陷取代合金AB和FCC缺陷间隙合金AC的热力学量是FCC缺陷三元取代合金和间隙合金ABC热力学量的具体情况。对AuCuSi和PtCuSi合金进行了数值计算。本文对主要金属Au、Pt的恒压热膨胀系数和热容的计算结果与实验数据吻合较好。我们对AuCuSi和PtCuSi合金在不同温度、压力、取代原子浓度和间隙原子浓度下的热力学量的计算结果指向并预测了未来新的实验数据。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
EQUILIBRIUM VACANCY CONCENTRATION AND THERMODYNAMIC QUANTITIES OF FCC DEFECTIVE ALLOYS AuCuSi AND PtCuSi UNDER PRESSURE AND TEMPERATURE
We present the analytic expressions of the cohesive energy, the alloy parameters, the equation of state, the mean nearest neighbor distance, the Helmholtz free energy, equilibrium vacancy concentration, and thermodynamic quantities such as the isothermal compressibility, the thermal expansion coefficient, the heat capacities at constant volume and constant pressure for facecentered cubic (FCC) defective ternary substitutional and interstitial alloy ABC derived by the statistical moment method (SMM). The obtained thermodynamic quantities depend on temperature, pressure, the concentration of substitutional atoms, the concentration of interstitial atoms, and equilibrium vacancy concentration. Thermodynamic quantities of FCC defective metal A, FCC defective substitutional alloy AB, and FCC defective interstitial alloy AC are specific cases for thermodynamic quantities of FCC defective ternary substitutional and interstitial alloy ABC. The theoretical results are calculated numerically to alloys AuCuSi and PtCuSi. Our calculated results of thermal expansion coefficient and heat capacities at constant pressure for main metals Au, Pt are in good agreement with experimental data. Our other calculated results for thermodynamic quantities of alloys AuCuSi and PtCuSi at different temperatures, pressure, the concentration of substitutional atoms, and concentrations of interstitial atoms orient and predict new experimental data in the future.
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
自引率
0.00%
发文量
0
×
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