运行和翻滚粒子的过渡路径采样。

IF 2.4 3区 物理与天体物理 Q1 Mathematics
Thomas Kiechl, Thomas Franosch, Michele Caraglio
{"title":"运行和翻滚粒子的过渡路径采样。","authors":"Thomas Kiechl, Thomas Franosch, Michele Caraglio","doi":"10.1103/PhysRevE.110.054121","DOIUrl":null,"url":null,"abstract":"<p><p>We elaborate and validate a generalization of the renowned transition-path-sampling algorithm for a paradigmatic model of active particles, namely, the run-and-tumble particles. Notwithstanding the nonequilibrium character of these particles, we show how the consequent lack of the microscopical reversibility property, which is usually required by transition-path sampling, can be circumvented by identifying reasonable backward dynamics with a well-defined path-probability density. Our method is then applied to characterize the structure and kinetics of rare transition pathways undergone by run-and-tumble particles having to cross a potential barrier in order to find a target.</p>","PeriodicalId":20085,"journal":{"name":"Physical review. E","volume":"110 5-1","pages":"054121"},"PeriodicalIF":2.4000,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Transition-path sampling for run-and-tumble particles.\",\"authors\":\"Thomas Kiechl, Thomas Franosch, Michele Caraglio\",\"doi\":\"10.1103/PhysRevE.110.054121\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>We elaborate and validate a generalization of the renowned transition-path-sampling algorithm for a paradigmatic model of active particles, namely, the run-and-tumble particles. Notwithstanding the nonequilibrium character of these particles, we show how the consequent lack of the microscopical reversibility property, which is usually required by transition-path sampling, can be circumvented by identifying reasonable backward dynamics with a well-defined path-probability density. Our method is then applied to characterize the structure and kinetics of rare transition pathways undergone by run-and-tumble particles having to cross a potential barrier in order to find a target.</p>\",\"PeriodicalId\":20085,\"journal\":{\"name\":\"Physical review. E\",\"volume\":\"110 5-1\",\"pages\":\"054121\"},\"PeriodicalIF\":2.4000,\"publicationDate\":\"2024-11-01\",\"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.110.054121\",\"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.110.054121","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

我们详细阐述并验证了著名的过渡路径采样算法的推广,用于活动粒子的范例模型,即奔跑和翻滚粒子。尽管这些粒子具有非平衡特性,但我们展示了如何通过确定具有良好定义的路径概率密度的合理向后动力学来规避过渡路径采样通常需要的微观可逆性的缺失。然后,我们的方法被应用于描述罕见的过渡途径的结构和动力学,这些过渡途径是由奔跑和翻滚的粒子为了找到目标而必须穿过势垒所经历的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Transition-path sampling for run-and-tumble particles.

We elaborate and validate a generalization of the renowned transition-path-sampling algorithm for a paradigmatic model of active particles, namely, the run-and-tumble particles. Notwithstanding the nonequilibrium character of these particles, we show how the consequent lack of the microscopical reversibility property, which is usually required by transition-path sampling, can be circumvented by identifying reasonable backward dynamics with a well-defined path-probability density. Our method is then applied to characterize the structure and kinetics of rare transition pathways undergone by run-and-tumble particles having to cross a potential barrier in order to find a target.

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