{"title":"以底层润滑剂和碳涂层模型为重点的磁碟界面多尺度建模方法","authors":"M. Jhon, P. Chung, Robert Smith, L. Biegler","doi":"10.1155/2013/794151","DOIUrl":null,"url":null,"abstract":"The challenges in designing future head disk interface (HDI) demand efficient theoretical modeling tools with flexibility in investigating various combinations of perfluoropolyether (PFPE) and carbon overcoat (COC) materials. For broad range of time and length scales, we developed multiscale/multiphysical modeling approach, which can bring paradigm-shifting improvements in advanced HDI design. In this paper, we introduce our multiscale modeling methodology with an effective strategic framework for the HDI system. Our multiscale methodology in this paper adopts a bottom to top approach beginning with the high-resolution modeling, which describes the intramolecular/intermolecular PFPE-COC degrees of freedom governing the functional oligomeric molecular conformations on the carbon surfaces. By introducing methodology for integrating atomistic/molecular/mesoscale levels via coarse-graining procedures, we investigated static and dynamic properties of PFPE-COC combinations with various molecular architectures. By bridging the atomistic and molecular scales, we are able to systematically incorporate first-principle physics into molecular models, thereby demonstrating a pathway for designing materials based on molecular architecture. We also discussed future materials (e.g., graphene for COC, star-like PFPEs) and systems (e.g., heat-assisted magnetic recording (HAMR)) with higher scale modeling methodology, which enables the incorporation of molecular/mesoscale information into the continuum scale models.","PeriodicalId":44668,"journal":{"name":"Advances in Tribology","volume":"2013 1","pages":"1-27"},"PeriodicalIF":1.5000,"publicationDate":"2013-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1155/2013/794151","citationCount":"5","resultStr":"{\"title\":\"A Description of Multiscale Modeling for the Head-Disk Interface Focusing on Bottom-Level Lubricant and Carbon Overcoat Models\",\"authors\":\"M. Jhon, P. Chung, Robert Smith, L. Biegler\",\"doi\":\"10.1155/2013/794151\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The challenges in designing future head disk interface (HDI) demand efficient theoretical modeling tools with flexibility in investigating various combinations of perfluoropolyether (PFPE) and carbon overcoat (COC) materials. For broad range of time and length scales, we developed multiscale/multiphysical modeling approach, which can bring paradigm-shifting improvements in advanced HDI design. In this paper, we introduce our multiscale modeling methodology with an effective strategic framework for the HDI system. Our multiscale methodology in this paper adopts a bottom to top approach beginning with the high-resolution modeling, which describes the intramolecular/intermolecular PFPE-COC degrees of freedom governing the functional oligomeric molecular conformations on the carbon surfaces. By introducing methodology for integrating atomistic/molecular/mesoscale levels via coarse-graining procedures, we investigated static and dynamic properties of PFPE-COC combinations with various molecular architectures. By bridging the atomistic and molecular scales, we are able to systematically incorporate first-principle physics into molecular models, thereby demonstrating a pathway for designing materials based on molecular architecture. We also discussed future materials (e.g., graphene for COC, star-like PFPEs) and systems (e.g., heat-assisted magnetic recording (HAMR)) with higher scale modeling methodology, which enables the incorporation of molecular/mesoscale information into the continuum scale models.\",\"PeriodicalId\":44668,\"journal\":{\"name\":\"Advances in Tribology\",\"volume\":\"2013 1\",\"pages\":\"1-27\"},\"PeriodicalIF\":1.5000,\"publicationDate\":\"2013-04-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1155/2013/794151\",\"citationCount\":\"5\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Advances in Tribology\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1155/2013/794151\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"ENGINEERING, MECHANICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advances in Tribology","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1155/2013/794151","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"ENGINEERING, MECHANICAL","Score":null,"Total":0}
A Description of Multiscale Modeling for the Head-Disk Interface Focusing on Bottom-Level Lubricant and Carbon Overcoat Models
The challenges in designing future head disk interface (HDI) demand efficient theoretical modeling tools with flexibility in investigating various combinations of perfluoropolyether (PFPE) and carbon overcoat (COC) materials. For broad range of time and length scales, we developed multiscale/multiphysical modeling approach, which can bring paradigm-shifting improvements in advanced HDI design. In this paper, we introduce our multiscale modeling methodology with an effective strategic framework for the HDI system. Our multiscale methodology in this paper adopts a bottom to top approach beginning with the high-resolution modeling, which describes the intramolecular/intermolecular PFPE-COC degrees of freedom governing the functional oligomeric molecular conformations on the carbon surfaces. By introducing methodology for integrating atomistic/molecular/mesoscale levels via coarse-graining procedures, we investigated static and dynamic properties of PFPE-COC combinations with various molecular architectures. By bridging the atomistic and molecular scales, we are able to systematically incorporate first-principle physics into molecular models, thereby demonstrating a pathway for designing materials based on molecular architecture. We also discussed future materials (e.g., graphene for COC, star-like PFPEs) and systems (e.g., heat-assisted magnetic recording (HAMR)) with higher scale modeling methodology, which enables the incorporation of molecular/mesoscale information into the continuum scale models.