利用极坐标网格系统上的 CDS 模型中涉及的 PDE 近似值，在约束和曲率效应下对二嵌段共聚物的圆柱堆积进行再图案化

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Accounts of Chemical Research Pub Date : 2024-07-23 DOI:10.1088/2399-6528/ad66ac

Muhammad Javed Iqbal, Inayatullah Soomro, Mumtaz Hussain Mahar

{"title":"利用极坐标网格系统上的 CDS 模型中涉及的 PDE 近似值，在约束和曲率效应下对二嵌段共聚物的圆柱堆积进行再图案化","authors":"Muhammad Javed Iqbal, Inayatullah Soomro, Mumtaz Hussain Mahar","doi":"10.1088/2399-6528/ad66ac","DOIUrl":null,"url":null,"abstract":"\n Soft materials, including diblock copolymers, are advancing nanotechnology due to their unique properties, applications materials include energy harvesting, water sanitation, environmental treatment, nanosensors, drug delivery and nanolithography. These materials are light, cheap, efficient, sensitive, durable and more functional, whose new morphologies have been predicted by mathematicians through simulation. This work produces and predicts the pattern of packing of nano-cylinders by using confinement to appreciate the frustration in the packing of nano-cylinders under the influence of curvature. In this contribution, the cell dynamic simulations model is used to examine the impact of circular annular pore confinement on system orientation toward cylindrical morphologies. A 9-point stencil approximates the isotropic Laplacian by finite-difference discretization on a polar grid to meet the requirement of a cell dynamic simulation model. FORTRAN codes are generated for the set of PDEs included in the CDS model. OPEN DX is used to visualise the predicted cylindrical patterns. The consistency of our results with experimental observations makes our research valid and significant.","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":"57 1","pages":""},"PeriodicalIF":16.4000,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Re-patterning of cylindrical packing of diblock copolymers under confinement and curvature effects by using approximations of PDE’s involved in the CDS model on polar mesh system\",\"authors\":\"Muhammad Javed Iqbal, Inayatullah Soomro, Mumtaz Hussain Mahar\",\"doi\":\"10.1088/2399-6528/ad66ac\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\\n Soft materials, including diblock copolymers, are advancing nanotechnology due to their unique properties, applications materials include energy harvesting, water sanitation, environmental treatment, nanosensors, drug delivery and nanolithography. These materials are light, cheap, efficient, sensitive, durable and more functional, whose new morphologies have been predicted by mathematicians through simulation. This work produces and predicts the pattern of packing of nano-cylinders by using confinement to appreciate the frustration in the packing of nano-cylinders under the influence of curvature. In this contribution, the cell dynamic simulations model is used to examine the impact of circular annular pore confinement on system orientation toward cylindrical morphologies. A 9-point stencil approximates the isotropic Laplacian by finite-difference discretization on a polar grid to meet the requirement of a cell dynamic simulation model. FORTRAN codes are generated for the set of PDEs included in the CDS model. OPEN DX is used to visualise the predicted cylindrical patterns. The consistency of our results with experimental observations makes our research valid and significant.\",\"PeriodicalId\":1,\"journal\":{\"name\":\"Accounts of Chemical Research\",\"volume\":\"57 1\",\"pages\":\"\"},\"PeriodicalIF\":16.4000,\"publicationDate\":\"2024-07-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Accounts of Chemical Research\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1088/2399-6528/ad66ac\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1088/2399-6528/ad66ac","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}

引用次数: 0

摘要

包括二嵌共聚物在内的软材料因其独特的性能正在推动纳米技术的发展，其应用材料包括能量收集、水卫生、环境处理、纳米传感器、药物输送和纳米光刻。这些材料轻便、廉价、高效、灵敏、耐用且功能更强，数学家通过模拟预测了其新的形态。这项工作通过使用约束来产生和预测纳米圆柱体的堆积模式，以了解纳米圆柱体在曲率影响下的堆积挫折。在这篇论文中，细胞动态模拟模型被用来研究圆形环孔约束对系统朝向圆柱形形态的影响。为满足细胞动态模拟模型的要求，在极坐标网格上采用有限差分离散法对各向同性拉普拉斯进行了 9 点模版近似。为 CDS 模型中的 PDE 生成 FORTRAN 代码。OPEN DX 用于可视化预测的圆柱形图案。我们的结果与实验观测结果一致，这使我们的研究具有有效性和意义。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

Re-patterning of cylindrical packing of diblock copolymers under confinement and curvature effects by using approximations of PDE’s involved in the CDS model on polar mesh system

Soft materials, including diblock copolymers, are advancing nanotechnology due to their unique properties, applications materials include energy harvesting, water sanitation, environmental treatment, nanosensors, drug delivery and nanolithography. These materials are light, cheap, efficient, sensitive, durable and more functional, whose new morphologies have been predicted by mathematicians through simulation. This work produces and predicts the pattern of packing of nano-cylinders by using confinement to appreciate the frustration in the packing of nano-cylinders under the influence of curvature. In this contribution, the cell dynamic simulations model is used to examine the impact of circular annular pore confinement on system orientation toward cylindrical morphologies. A 9-point stencil approximates the isotropic Laplacian by finite-difference discretization on a polar grid to meet the requirement of a cell dynamic simulation model. FORTRAN codes are generated for the set of PDEs included in the CDS model. OPEN DX is used to visualise the predicted cylindrical patterns. The consistency of our results with experimental observations makes our research valid and significant.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Accounts of Chemical Research 化学-化学综合

CiteScore

31.40

自引率

1.10%

发文量

312

审稿时长

2 months

期刊介绍： Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.