Interface damage and fracture mechanisms of a ceramic/polymer interface based on atomic-scale simulations
文献情報
Linhui Hu, Shuai Wang, Lihong Liang
The performance of ceramic/polymer composite materials is significantly affected by their internal interfaces. To reveal the intrinsic interface fracturing mechanism of ceramic/polymer interfaces, an interfacial model composed of SiO2 and polypropylene (PP) is investigated using the molecular dynamics method. The interface damage is quantified by the increase in the interface free volume and deformation of a single PP chain. As stretching speeds increase, the free volume and outflowing atoms of PP chains decrease with the same interfacial displacement, which results in the increase of the interface strength and fracture energy. At low stretching speeds, the interface damage mechanism is determined by a competition between attractions of the PP single chains from SiO2 and PP. In contrast, at higher stretching speeds, the interface fracture is more brittle and the interface strength and fracture energy are both higher owing to the smaller cavity ratio. The results of this study contribute to an in depth understanding of the fracture mechanism of ceramic/polymer interfaces in many systems.
おすすめジャーナル
関連文献
Generalization of piezoelectric quantum anomalous Hall insulator based on monolayer Fe2I2: a first-principles study‡
San-Dong Guo, Wen-Qi Mu
DOI: 10.1039/D1CP04123A
Development of a coupled geophysical–geothermal scheme for quantification of hydrates in gas hydrate-bearing permafrost sediments
Mehrdad Vasheghani Farahani, Aliakbar Hassanpouryouzband, Jinhai Yang, Bahman Tohidi
DOI: 10.1039/D1CP03086H
Revealing the tunability of electronic structures and optical properties of novel SWCNT derivatives, phenine nanotubes
Yuhang Jiang, Shangke Jia, Hao Liu, Guangwei Zhang, Xiujun Han, Ruiqin Zhang
DOI: 10.1039/D1CP03932F
Asymmetric carrier transport and weak localization in few layer graphene grown directly on a dielectric substrate
Pawan Kumar Srivastava, Yasir Hassan
DOI: 10.1039/D1CP03225A
Synthesis of trifluoromethylated 3,4-dihydroquinolin-2(1H)-ones via a photo-induced radical cyclization of benzene-tethered 1,7-enynes with Togni reagent
Yuanyuan An, Yunyan Kuang
DOI: 10.1039/C6QO00267F
Nickel-catalyzed direct formation of the C–S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent
Yang Wang, Xiaofeng Zhang, Haixiong Liu, Hui Chen, Deguang Huang
DOI: 10.1039/C6QO00451B
Ultrafast photochemistry of a molybdenum carbonyl–nitrosyl complex with a triazacyclononane coligand
Niklas Gessner, Anna K. Bäck, Johannes Knorr, Christoph Nagel, Philipp Marquetand, Ulrich Schatzschneider, Leticia González, Patrick Nuernberger
DOI: 10.1039/D1CP03514B
Quantum chemistry calculations of the growth patterns, simulated photoelectron spectra, and electronic properties of LaASil (A = Sc, Y, La; l ≤ 10) compounds and their anions
Jun Lu, Qing-Hua Lu, Xiao-Jun Li
DOI: 10.1039/D1CP03767F
Oxygen-vacancy-induced magnetism in anti-perovskite topological Dirac semimetal Ba3SnO
Gustav Johansson, Waqas Zulfiqar, Muhammad Arsam Danish, Muhammad Bilal, J. Andreas Larsson, Nasir Amin
DOI: 10.1039/D1CP03989J
The molecular mechanism behind the stabilization of insulin by choline and geranate (CAGE) ionic liquids – computational insights into oral insulin drug formulation
Kandhan Palanisamy, Muthuramalingam Prakash
DOI: 10.1039/D1CP03349B
こちらもおすすめ
H-Leu-Ser-Lys-Leu-OH trifluoroacetate saltに適用される法規ガイドラインは何ですか?
CAS番号162559-45-7のH-Leu-Ser-Lys-Leu-OH trifluoroacetate saltは、GHS( Chemicals Clas...
Trimethyltin Chlorideの物理化学的性質は何ですか?
CAS番号1066-45-1のトリメチルチリドは、白色結晶性粉末で、分子量は297.77です。この化合物は水にわずかに溶けますが、酢酸、エタノール、ジエチルエー...
ニコール酸化物水和物の主な用途は何ですか?
ニコール酸化物水和物は、主に金属分離、研磨剤、酸化剤、染料製造の原料として利用されます。また、電気化学製品、触媒、分析化学の分野でも広く使用されています。
(2,3-二甲基-2H-吲唑-6-基)boronic acidを取り扱う際の実験室安全事項は何ですか?
(2,3-二甲基-2H-吲唑-6-基)boronic acidを取り扱う際は、PPE(防護服、ゴーグル、マスク、手袋)を使用する必要があります。ドラフトチャンバ...
4-ブロモ-1-メトキシ-2-(2-メトキシエトオキシ)ベンゼンは安全ですか?
4-ブロモ-1-メトキシ-2-(2-メトキシエトオキシ)ベンゼンは一般的に安全とは言えません。取扱いには注意が必要で、直接的な皮膚接触や吸入は避けてください。
4,4-双(5-甲基-2-苯并噁唑基)二苯乙烯はどの業界で使用されていますか?
4,4-双(5-甲基-2-苯并噁唑基)二苯乙烯は医薬業界、ポリマー業界、センサー業界、半導体業界で使用されています。特に、光触媒や蛍光材料として利用されています...
2,3,5,6-四氯-4-ピリジンスチオールを取り扱う際の実験室安全事項は何ですか?
2,3,5,6-四氯-4-ピリジンスチオールは非常に毒性があり、皮膚や粘膜に刺激を与える可能性があります。取り扱う際には、ゴーグル、ゴム手袋、防塵マスクを着用し...
TG 4-155はどのように合成されますか?
TG 4-155は、2-(2-メチル-1H-インドン-1-イル)エチルアミドと3,4,5-トリメトキシフェノールを反応させ、選択性的に合成できます。一般的には、...
エチルヒドロキシキニリン-6-カルボキシ酸は適用される法規ガイドラインは何ですか?
エチルヒドロキシキニリン-6-カルボキシ酸のCAS番号1261631-01-9は、GHS分類の第2クラスの腐食物質(皮膚に強い腐食性)に分類されます。また、EU...
掲載誌
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.











![1,4-Piperazinediylbis{[6-(1H-benzimidazol-2-yl)-2-pyridinyl]methanone} structure 1,4-Piperazinediylbis{[6-(1H-benzimidazol-2-yl)-2-pyridinyl]methanone} structure](https://static.chemtradehub.com/structs/191/1912399-75-7-b9f0.webp)


