原子长度和扩散时间尺度上凝聚态动力学的相场晶体模型:综述

IF 35 1区 物理与天体物理 Q1 PHYSICS, CONDENSED MATTER
H. Emmerich, H. Löwen, R. Wittkowski, T. Gruhn, G. Tóth, G. Tegze, L. Gránásy
{"title":"原子长度和扩散时间尺度上凝聚态动力学的相场晶体模型:综述","authors":"H. Emmerich, H. Löwen, R. Wittkowski, T. Gruhn, G. Tóth, G. Tegze, L. Gránásy","doi":"10.1080/00018732.2012.737555","DOIUrl":null,"url":null,"abstract":"Here, we review the basic concepts and applications of the phase-field-crystal (PFC) method, which is one of the latest simulation methodologies in materials science for problems, where atomic- and microscales are tightly coupled. The PFC method operates on atomic length and diffusive time scales, and thus constitutes a computationally efficient alternative to molecular simulation methods. Its intense development in materials science started fairly recently following the work by Elder et al. [Phys. Rev. Lett. 88 (2002), p. 245701]. Since these initial studies, dynamical density functional theory and thermodynamic concepts have been linked to the PFC approach to serve as further theoretical fundamentals for the latter. In this review, we summarize these methodological development steps as well as the most important applications of the PFC method with a special focus on the interaction of development steps taken in hard and soft matter physics, respectively. Doing so, we hope to present today's state of the art in PFC modelling as well as the potential, which might still arise from this method in physics and materials science in the nearby future.","PeriodicalId":7373,"journal":{"name":"Advances in Physics","volume":"61 1","pages":"665 - 743"},"PeriodicalIF":35.0000,"publicationDate":"2012-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1080/00018732.2012.737555","citationCount":"268","resultStr":"{\"title\":\"Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview\",\"authors\":\"H. Emmerich, H. Löwen, R. Wittkowski, T. Gruhn, G. Tóth, G. Tegze, L. Gránásy\",\"doi\":\"10.1080/00018732.2012.737555\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Here, we review the basic concepts and applications of the phase-field-crystal (PFC) method, which is one of the latest simulation methodologies in materials science for problems, where atomic- and microscales are tightly coupled. The PFC method operates on atomic length and diffusive time scales, and thus constitutes a computationally efficient alternative to molecular simulation methods. Its intense development in materials science started fairly recently following the work by Elder et al. [Phys. Rev. Lett. 88 (2002), p. 245701]. Since these initial studies, dynamical density functional theory and thermodynamic concepts have been linked to the PFC approach to serve as further theoretical fundamentals for the latter. In this review, we summarize these methodological development steps as well as the most important applications of the PFC method with a special focus on the interaction of development steps taken in hard and soft matter physics, respectively. Doing so, we hope to present today's state of the art in PFC modelling as well as the potential, which might still arise from this method in physics and materials science in the nearby future.\",\"PeriodicalId\":7373,\"journal\":{\"name\":\"Advances in Physics\",\"volume\":\"61 1\",\"pages\":\"665 - 743\"},\"PeriodicalIF\":35.0000,\"publicationDate\":\"2012-07-02\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1080/00018732.2012.737555\",\"citationCount\":\"268\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Advances in Physics\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://doi.org/10.1080/00018732.2012.737555\",\"RegionNum\":1,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"PHYSICS, CONDENSED MATTER\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advances in Physics","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1080/00018732.2012.737555","RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"PHYSICS, CONDENSED MATTER","Score":null,"Total":0}
引用次数: 268

摘要

本文综述了相场晶体(PFC)方法的基本概念及其应用,该方法是材料科学中原子尺度和微观尺度紧密耦合问题的最新模拟方法之一。PFC方法在原子长度和扩散时间尺度上运行,因此构成了分子模拟方法的计算效率替代方案。在埃尔德等人的工作之后,它在材料科学方面的激烈发展最近才开始。Rev. Lett. 88 (2002), p. 245701]。自这些初步研究以来,动态密度泛函理论和热力学概念已与PFC方法联系起来,作为后者的进一步理论基础。在这篇综述中,我们总结了这些方法的发展步骤以及PFC方法最重要的应用,特别关注了硬物质物理和软物质物理中发展步骤的相互作用。这样做,我们希望展示当今PFC建模的最新技术,以及在不久的将来,这种方法在物理和材料科学中可能仍然存在的潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview
Here, we review the basic concepts and applications of the phase-field-crystal (PFC) method, which is one of the latest simulation methodologies in materials science for problems, where atomic- and microscales are tightly coupled. The PFC method operates on atomic length and diffusive time scales, and thus constitutes a computationally efficient alternative to molecular simulation methods. Its intense development in materials science started fairly recently following the work by Elder et al. [Phys. Rev. Lett. 88 (2002), p. 245701]. Since these initial studies, dynamical density functional theory and thermodynamic concepts have been linked to the PFC approach to serve as further theoretical fundamentals for the latter. In this review, we summarize these methodological development steps as well as the most important applications of the PFC method with a special focus on the interaction of development steps taken in hard and soft matter physics, respectively. Doing so, we hope to present today's state of the art in PFC modelling as well as the potential, which might still arise from this method in physics and materials science in the nearby 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
Advances in Physics
Advances in Physics 物理-物理:凝聚态物理
CiteScore
67.60
自引率
0.00%
发文量
1
期刊介绍: Advances in Physics publishes authoritative critical reviews by experts on topics of interest and importance to condensed matter physicists. It is intended for motivated readers with a basic knowledge of the journal’s field and aims to draw out the salient points of a reviewed subject from the perspective of the author. The journal''s scope includes condensed matter physics and statistical mechanics: broadly defined to include the overlap with quantum information, cold atoms, soft matter physics and biophysics. Readership: Physicists, materials scientists and physical chemists in universities, industry and research institutes.
×
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