{"title":"Comparison of Different Thermostats in the Holstein Model","authors":"N. Fialko, M. Olshevets, V. D. Lakhno","doi":"10.1134/s1063779624030390","DOIUrl":null,"url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>When modeling charge dynamics in a chain of <i>N</i> sites at a temperature <i>T</i>, a Langevin thermostat and a Hamiltonian system, i.e., a chain heated to a given temperature before charge is injected, are compared. It is shown that the polaron disruption occurs in the same range of values of the thermal energy <i>NT</i>, however, <i>T</i> is not given by the initial data, but obtained after simulation from the average kinetic energy. For large <i>T</i>, the results averaged over a set of trajectories in a system with a Langevin thermostat and the results averaged over time for a Hamiltonian system are close, which does not contradict the Ergodic hypothesis.</p>","PeriodicalId":729,"journal":{"name":"Physics of Particles and Nuclei","volume":null,"pages":null},"PeriodicalIF":0.6000,"publicationDate":"2024-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physics of Particles and Nuclei","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1134/s1063779624030390","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, PARTICLES & FIELDS","Score":null,"Total":0}
引用次数: 0
Abstract
When modeling charge dynamics in a chain of N sites at a temperature T, a Langevin thermostat and a Hamiltonian system, i.e., a chain heated to a given temperature before charge is injected, are compared. It is shown that the polaron disruption occurs in the same range of values of the thermal energy NT, however, T is not given by the initial data, but obtained after simulation from the average kinetic energy. For large T, the results averaged over a set of trajectories in a system with a Langevin thermostat and the results averaged over time for a Hamiltonian system are close, which does not contradict the Ergodic hypothesis.
摘要在温度 T 下对 N 个位点的链中的电荷动力学建模时，比较了朗格温恒温器和汉密尔顿系统，即在注入电荷前加热到给定温度的链。结果表明，极子破坏发生在相同的热能 NT 值范围内，但 T 并不是由初始数据给出的，而是模拟后从平均动能中得到的。对于大 T，具有朗之文恒温器的系统中一组轨迹的平均结果与汉密尔顿系统的时间平均结果很接近，这与尔格假说并不矛盾。
期刊介绍：
The journal Fizika Elementarnykh Chastits i Atomnogo Yadr of the Joint Institute for Nuclear Research (JINR, Dubna) was founded by Academician N.N. Bogolyubov in August 1969. The Editors-in-chief of the journal were Academician N.N. Bogolyubov (1970–1992) and Academician A.M. Baldin (1992–2001). Its English translation, Physics of Particles and Nuclei, appears simultaneously with the original Russian-language edition. Published by leading physicists from the JINR member states, as well as by scientists from other countries, review articles in this journal examine problems of elementary particle physics, nuclear physics, condensed matter physics, experimental data processing, accelerators and related instrumentation ecology and radiology.
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