{"title":"为耗散粒子动力学模拟提供更好的积分器","authors":"Besold, Vattulainen, Karttunen, Polson","doi":"10.1103/physreve.62.r7611","DOIUrl":null,"url":null,"abstract":"<p><p>Coarse-grained models that preserve hydrodynamics provide a natural approach to study collective properties of soft-matter systems. Here, we demonstrate that commonly used integration schemes in dissipative particle dynamics give rise to pronounced artifacts in physical quantities such as the compressibility and the diffusion coefficient. We assess the quality of these integration schemes, including variants based on a recently suggested self-consistent approach, and examine their relative performance. Implications of integrator-induced effects are discussed.</p>","PeriodicalId":20079,"journal":{"name":"Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics","volume":"62 6 Pt A","pages":"R7611-4"},"PeriodicalIF":0.0000,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1103/physreve.62.r7611","citationCount":"110","resultStr":"{\"title\":\"Towards better integrators for dissipative particle dynamics simulations\",\"authors\":\"Besold, Vattulainen, Karttunen, Polson\",\"doi\":\"10.1103/physreve.62.r7611\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Coarse-grained models that preserve hydrodynamics provide a natural approach to study collective properties of soft-matter systems. Here, we demonstrate that commonly used integration schemes in dissipative particle dynamics give rise to pronounced artifacts in physical quantities such as the compressibility and the diffusion coefficient. We assess the quality of these integration schemes, including variants based on a recently suggested self-consistent approach, and examine their relative performance. Implications of integrator-induced effects are discussed.</p>\",\"PeriodicalId\":20079,\"journal\":{\"name\":\"Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics\",\"volume\":\"62 6 Pt A\",\"pages\":\"R7611-4\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2000-12-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1103/physreve.62.r7611\",\"citationCount\":\"110\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1103/physreve.62.r7611\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1103/physreve.62.r7611","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Towards better integrators for dissipative particle dynamics simulations
Coarse-grained models that preserve hydrodynamics provide a natural approach to study collective properties of soft-matter systems. Here, we demonstrate that commonly used integration schemes in dissipative particle dynamics give rise to pronounced artifacts in physical quantities such as the compressibility and the diffusion coefficient. We assess the quality of these integration schemes, including variants based on a recently suggested self-consistent approach, and examine their relative performance. Implications of integrator-induced effects are discussed.