{"title":"理解和建模聚合物:多重尺度的挑战","authors":"F. Schmid","doi":"10.1021/acspolymersau.2c0004","DOIUrl":null,"url":null,"abstract":"Polymer materials have the characteristic feature that they are multiscale systems by definition. Already the description of a single molecules involves a multitude of different scales, and coopera-tive processes in polymer assemblies are governed by the interplay of these scales. Polymers have been among the first materials for which systematic multiscale techniques were developed, yet they continue to present extraordinary challenges for modellers. In this perspective, we review popular models that are used to describe polymers on different scales and discuss scale bridging strategies such as static and dynamic coarse-graining methods and multiresolution approaches. We close with a list of hard problems which still need to be solved in order to gain a comprehensive quantitative understanding of polymer systems on all scales.","PeriodicalId":72049,"journal":{"name":"ACS polymers Au","volume":" ","pages":""},"PeriodicalIF":4.7000,"publicationDate":"2022-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"16","resultStr":"{\"title\":\"Understanding and Modeling Polymers: The Challenge of Multiple Scales\",\"authors\":\"F. Schmid\",\"doi\":\"10.1021/acspolymersau.2c0004\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Polymer materials have the characteristic feature that they are multiscale systems by definition. Already the description of a single molecules involves a multitude of different scales, and coopera-tive processes in polymer assemblies are governed by the interplay of these scales. Polymers have been among the first materials for which systematic multiscale techniques were developed, yet they continue to present extraordinary challenges for modellers. In this perspective, we review popular models that are used to describe polymers on different scales and discuss scale bridging strategies such as static and dynamic coarse-graining methods and multiresolution approaches. We close with a list of hard problems which still need to be solved in order to gain a comprehensive quantitative understanding of polymer systems on all scales.\",\"PeriodicalId\":72049,\"journal\":{\"name\":\"ACS polymers Au\",\"volume\":\" \",\"pages\":\"\"},\"PeriodicalIF\":4.7000,\"publicationDate\":\"2022-11-14\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"16\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ACS polymers Au\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1021/acspolymersau.2c0004\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"POLYMER SCIENCE\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS polymers Au","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1021/acspolymersau.2c0004","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"POLYMER SCIENCE","Score":null,"Total":0}
Understanding and Modeling Polymers: The Challenge of Multiple Scales
Polymer materials have the characteristic feature that they are multiscale systems by definition. Already the description of a single molecules involves a multitude of different scales, and coopera-tive processes in polymer assemblies are governed by the interplay of these scales. Polymers have been among the first materials for which systematic multiscale techniques were developed, yet they continue to present extraordinary challenges for modellers. In this perspective, we review popular models that are used to describe polymers on different scales and discuss scale bridging strategies such as static and dynamic coarse-graining methods and multiresolution approaches. We close with a list of hard problems which still need to be solved in order to gain a comprehensive quantitative understanding of polymer systems on all scales.