{"title":"拉伸变形下二元胺叽里胶的机械特性","authors":"Pengcheng Zhu, Shufen Wang, Xingbin Zhang, Jiaming Zhao, Weiyao Yu, Hao Zhang","doi":"10.1007/s11051-024-06004-4","DOIUrl":null,"url":null,"abstract":"<div><p>Kirigami, as an ancient Japanese paper-cutting and origami art, has been widely used in the study of tensile properties of 2D nanomaterials. Diamane—a 2D nanodiamond film—has excellent electrical, thermal, and mechanical properties, while its ductility is poor, so this paper focuses on the enhancement of the tensile properties of Diamane by Kirigami. In this study, the tensile mechanical properties and deformation mechanisms of Diamane Kirigami were simulated and analyzed using molecular dynamics by varying three geometrical parameters, namely, the degree of overlap, the cutting rate, and the aspect ratio of the Kirigami cuts. The results show that the fracture strain (200–250%) of Diamane Kirigami can be 7–8 times higher than that of pristine Diamane (zigzag: 26.1%, armchair: 17.6%). For Diamane Kirigami in the armchair chiral configuration, more stable mechanical properties and ductility can be obtained in all parameters of the design. The I-shaped cutout shape and the stretching in the armchair direction can help Diamane Kirigami to significantly reduce the stress concentration at the ends of the cut and to increase the fracture strain. In conclusion, it is found in this paper that Diamane Kirigami possesses higher fracture strain compared to pristine Diamane, which will potentially expand their applications in engineering nanodevices and nanoelectronics.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":null,"pages":null},"PeriodicalIF":2.1000,"publicationDate":"2024-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Mechanical properties of diamane kirigami under tensile deformation\",\"authors\":\"Pengcheng Zhu, Shufen Wang, Xingbin Zhang, Jiaming Zhao, Weiyao Yu, Hao Zhang\",\"doi\":\"10.1007/s11051-024-06004-4\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Kirigami, as an ancient Japanese paper-cutting and origami art, has been widely used in the study of tensile properties of 2D nanomaterials. Diamane—a 2D nanodiamond film—has excellent electrical, thermal, and mechanical properties, while its ductility is poor, so this paper focuses on the enhancement of the tensile properties of Diamane by Kirigami. In this study, the tensile mechanical properties and deformation mechanisms of Diamane Kirigami were simulated and analyzed using molecular dynamics by varying three geometrical parameters, namely, the degree of overlap, the cutting rate, and the aspect ratio of the Kirigami cuts. The results show that the fracture strain (200–250%) of Diamane Kirigami can be 7–8 times higher than that of pristine Diamane (zigzag: 26.1%, armchair: 17.6%). For Diamane Kirigami in the armchair chiral configuration, more stable mechanical properties and ductility can be obtained in all parameters of the design. The I-shaped cutout shape and the stretching in the armchair direction can help Diamane Kirigami to significantly reduce the stress concentration at the ends of the cut and to increase the fracture strain. In conclusion, it is found in this paper that Diamane Kirigami possesses higher fracture strain compared to pristine Diamane, which will potentially expand their applications in engineering nanodevices and nanoelectronics.</p></div>\",\"PeriodicalId\":653,\"journal\":{\"name\":\"Journal of Nanoparticle Research\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.1000,\"publicationDate\":\"2024-05-02\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Nanoparticle Research\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s11051-024-06004-4\",\"RegionNum\":4,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Nanoparticle Research","FirstCategoryId":"88","ListUrlMain":"https://link.springer.com/article/10.1007/s11051-024-06004-4","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Mechanical properties of diamane kirigami under tensile deformation
Kirigami, as an ancient Japanese paper-cutting and origami art, has been widely used in the study of tensile properties of 2D nanomaterials. Diamane—a 2D nanodiamond film—has excellent electrical, thermal, and mechanical properties, while its ductility is poor, so this paper focuses on the enhancement of the tensile properties of Diamane by Kirigami. In this study, the tensile mechanical properties and deformation mechanisms of Diamane Kirigami were simulated and analyzed using molecular dynamics by varying three geometrical parameters, namely, the degree of overlap, the cutting rate, and the aspect ratio of the Kirigami cuts. The results show that the fracture strain (200–250%) of Diamane Kirigami can be 7–8 times higher than that of pristine Diamane (zigzag: 26.1%, armchair: 17.6%). For Diamane Kirigami in the armchair chiral configuration, more stable mechanical properties and ductility can be obtained in all parameters of the design. The I-shaped cutout shape and the stretching in the armchair direction can help Diamane Kirigami to significantly reduce the stress concentration at the ends of the cut and to increase the fracture strain. In conclusion, it is found in this paper that Diamane Kirigami possesses higher fracture strain compared to pristine Diamane, which will potentially expand their applications in engineering nanodevices and nanoelectronics.
期刊介绍:
The objective of the Journal of Nanoparticle Research is to disseminate knowledge of the physical, chemical and biological phenomena and processes in structures that have at least one lengthscale ranging from molecular to approximately 100 nm (or submicron in some situations), and exhibit improved and novel properties that are a direct result of their small size.
Nanoparticle research is a key component of nanoscience, nanoengineering and nanotechnology.
The focus of the Journal is on the specific concepts, properties, phenomena, and processes related to particles, tubes, layers, macromolecules, clusters and other finite structures of the nanoscale size range. Synthesis, assembly, transport, reactivity, and stability of such structures are considered. Development of in-situ and ex-situ instrumentation for characterization of nanoparticles and their interfaces should be based on new principles for probing properties and phenomena not well understood at the nanometer scale. Modeling and simulation may include atom-based quantum mechanics; molecular dynamics; single-particle, multi-body and continuum based models; fractals; other methods suitable for modeling particle synthesis, assembling and interaction processes. Realization and application of systems, structures and devices with novel functions obtained via precursor nanoparticles is emphasized. Approaches may include gas-, liquid-, solid-, and vacuum-based processes, size reduction, chemical- and bio-self assembly. Contributions include utilization of nanoparticle systems for enhancing a phenomenon or process and particle assembling into hierarchical structures, as well as formulation and the administration of drugs. Synergistic approaches originating from different disciplines and technologies, and interaction between the research providers and users in this field, are encouraged.