Comparation of Polyethylene and Polypropylene on the Time-Temperature Superposition Principle by Molecular Dynamics Simulations

• 資料種別: 記事
• タイトル: Comparation of Polyethylene and Polypropylene on the Time-Temperature Superposition Principle by Molecular Dynamics Simulations
• 著者・編者: Shihong YUAN; Takenobu SAKAI
• 著者標目: Shihong YUAN; Takenobu SAKAI
• タイトル（掲載誌）: Advanced experimental mechanics / Editorial board for advanced experimental mechanics [編]
• 巻号年月日等（掲載誌）: 10:2025.8
• 掲載巻: 10
• 掲載ページ: 27-32
• 掲載年月日（W3CDTF）: 2025-08
• ISSN（掲載誌）: 2189-4752
• ISSN-L（掲載誌）: 2189-4752
• 出版事項（掲載誌）: Niigata : The Japanese Society for Experimental Mechanics
• 出版地（国名コード）: JP
• 本文の言語コード: eng
• 件名標目: Time-temperature superposition principle; Molecular dynamic simulations; Polypropylene; Polyethylene; Creep
• NDLC: ZM17
• 対象利用者: 一般
• 所蔵機関: 国立国会図書館
• 請求記号: Z63-D560
• 連携機関・データベース: 国立国会図書館 : 国立国会図書館雑誌記事索引; https://ndlsearch.ndl.go.jp
• 書誌ID（NDLBibID）: 034429776; http://id.ndl.go.jp/bib/034429776
• 整理区分コード: 632

• 要約等: <p>Polymers and their composites are widely used in aerospace, energy, and automotive industries due to their lightweight, manufacturability, and high impact resistance. Predicting the viscoelastic behavior of these materials is crucial for ensuring their reliability and durability. The Time-Temperature Superposition Principle (TTSP) is commonly used to predict long-term viscoelastic properties like creep and stress relaxation, but its molecular mechanisms are not fully understood. This study employs molecular dynamics simulations to investigate these mechanisms in polyethylene (PE), and polypropylene (PP) with methyl group. Creep analyses at various temperatures show that PP exhibits superior creep resistance compared to PE. Furthermore, the role of free volume was examined, showing that the methyl groups in PP contribute to more stable free volume changes. This study also shows the importance of torsion potential energy for TTSP and demonstrates that the presence of methyl groups primarily affects TTSP through bond and angle potential energies. This study clarified the effect of the presence or absence of methyl groups on TTSP.</p>
• DOI: 10.11395/aem.25-0001
• オンライン閲覧公開範囲: インターネット公開
• 連携機関・データベース: 科学技術振興機構 : J-STAGE; http://www.jstage.jst.go.jp

• 要約等: <p>Polymers and their composites are widely used in aerospace, energy, and automotive industries due to their lightweight, manufacturability, and high impact resistance. Predicting the viscoelastic behavior of these materials is crucial for ensuring their reliability and durability. The Time-Temperature Superposition Principle (TTSP) is commonly used to predict long-term viscoelastic properties like creep and stress relaxation, but its molecular mechanisms are not fully understood. This study employs molecular dynamics simulations to investigate these mechanisms in polyethylene (PE), and polypropylene (PP) with methyl group. Creep analyses at various temperatures show that PP exhibits superior creep resistance compared to PE. Furthermore, the role of free volume was examined, showing that the methyl groups in PP contribute to more stable free volume changes. This study also shows the importance of torsion potential energy for TTSP and demonstrates that the presence of methyl groups primarily affects TTSP through bond and angle potential energies. This study clarified the effect of the presence or absence of methyl groups on TTSP.</p>
• DOI: 10.11395/aem.25-0001; https://doi.org/10.11395/aem.25-0001
• オンライン閲覧公開範囲: インターネット公開
• 関連情報（URI）: http://id.ndl.go.jp/bib/034429776; https://ndlsearch.ndl.go.jp/books/R000000004-I034429776
• 連携機関・データベース: 国立情報学研究所 : CiNii Research; https://cir.nii.ac.jp/
• 提供元機関・データベース: Japan Link Center; https://japanlinkcenter.org/top; 雑誌記事索引データベース; https://ndlsearch.ndl.go.jp; 科学研究費助成事業データベース; https://kaken.nii.ac.jp/ja
• 書誌ID（NDLBibID）: 034429776; http://id.ndl.go.jp/bib/034429776