Determination of the vapor-liquid transition of square-well particles using a novel generalized-canonical-ensemble-based method
文献类型：期刊论文
| 作者 | Zhao, Liang1; Xu, Shun2; Tu, Yu-Song1; Zhou, Xin3 |
| 刊名 | Chinese physics b
 |
| 出版日期 | 2017-06-01 |
| 卷号 | 26期号:6页码:6 |
| 关键词 | Square-well particles Phase-coexisting states Generalized canonical ensemble Replica exchange monte carlo |
| ISSN号 | 1674-1056 |
| DOI | 10.1088/1674-1056/26/6/060202 |
| 通讯作者 | Tu, yu-song(ystu@yzu.edu.cn) ; Zhou, xin(xzhou@ucas.ac.cn) |
| 英文摘要 | The square-well (sw) potential is one of the simplest pair potential models and its phase behavior has been clearly revealed, therefore it has become a benchmark for checking new theories or numerical methods. we introduce the generalized canonical ensemble (gce) into the isobaric replica exchange monte carlo (remc) algorithm to form a novel isobaric gce-remc method, and apply it to the study of vapor-liquid transition of sw particles. it is validated that this method can reproduce the vapor-liquid diagram of sw particles by comparing the estimated vapor-liquid binodals and the critical point with those from the literature. the notable advantage of this method is that the unstable vapor-liquid coexisting states, which cannot be detected using conventional sampling techniques, are accessed with a high sampling efficiency. besides, the isobaric gce-remc method can visit all the possible states, including stable, metastable or unstable states during the phase transition over a wide pressure range, providing an effective pathway to understand complex phase transitions during the nucleation or crystallization process in physical or biological systems. |
| WOS关键词 | MONTE-CARLO-SIMULATION ; PHASE COEXISTENCE ; FLUIDS ; BEHAVIOR ; MODEL ; EQUILIBRIA |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Multidisciplinary |
| 语种 | 英语 |
| WOS记录号 | WOS:000403057400002 |
| 出版者 | IOP PUBLISHING LTD |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2374213 |
| 专题 | 计算机网络信息中心 |
| 通讯作者 | Tu, Yu-Song; Zhou, Xin |
| 作者单位 | 1.Yangzhou Univ, Coll Phys Sci & Technol, Yangzhou 225009, Jiangsu, Peoples R China 2.Chinese Acad Sci, Supercomp Ctr, Comp Network Informat Ctr, Beijing 100190, Peoples R China 3.Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhao, Liang,Xu, Shun,Tu, Yu-Song,et al. Determination of the vapor-liquid transition of square-well particles using a novel generalized-canonical-ensemble-based method[J]. Chinese physics b,2017,26(6):6. |
| APA | Zhao, Liang,Xu, Shun,Tu, Yu-Song,&Zhou, Xin.(2017).Determination of the vapor-liquid transition of square-well particles using a novel generalized-canonical-ensemble-based method.Chinese physics b,26(6),6. |
| MLA | Zhao, Liang,et al."Determination of the vapor-liquid transition of square-well particles using a novel generalized-canonical-ensemble-based method".Chinese physics b 26.6(2017):6. |
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