دورية أكاديمية
Temperature Effects on the Fracture Dynamics and Elastic Properties of Popgraphene Membranes.
| العنوان: | Temperature Effects on the Fracture Dynamics and Elastic Properties of Popgraphene Membranes. |
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| المؤلفون: | Pereira Júnior ML; Institute of Physics, University of Brasília, Brasília, 70910-900, Brazil., Ribeiro Júnior LA; Institute of Physics, University of Brasília, Brasília, 70910-900, Brazil., Brandão WHS; Department of Physics, Federal University of Piauí, Teresina, Piauí, Brazil., Aguiar AL; Department of Physics, Federal University of Piauí, Teresina, Piauí, Brazil., Galvão DS; Applied Physics Department, University of Campinas, Campinas, São Paulo, Brazil., de Sousa JM; Center for Computing in Engineering and Sciences, University of Campinas, Campinas, São Paulo, Brazil.; Federal Institute of Education, Science and Technology of, Piauí, São Raimundo Nonato, Piauí, Brazil. |
| المصدر: | Chemphyschem : a European journal of chemical physics and physical chemistry [Chemphyschem] 2020 Sep 02; Vol. 21 (17), pp. 1918-1924. Date of Electronic Publication: 2020 Aug 14. |
| نوع المنشور: | Journal Article; Research Support, Non-U.S. Gov't |
| اللغة: | English |
| بيانات الدورية: | Publisher: Wiley-VCH Verlag Country of Publication: Germany NLM ID: 100954211 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1439-7641 (Electronic) Linking ISSN: 14394235 NLM ISO Abbreviation: Chemphyschem Subsets: PubMed not MEDLINE; MEDLINE |
| أسماء مطبوعة: | Original Publication: Weinheim, Germany : Wiley-VCH Verlag, c2000- |
| مستخلص: | Popgraphene (PopG) is a new 2D planar carbon allotrope which is composed of 5-8-5 carbon rings. PopG is intrinsically metallic and possesses excellent thermal and mechanical stability. In this work, we report a detailed study of the thermal effects on the mechanical properties of PopG membranes using fully-atomistic reactive (ReaxFF) molecular dynamics simulations. Our results showed that PopG presents very distinct fracture mechanisms depending on the temperature and direction of the applied stretching. The main fracture dynamics trends are temperature independent and exhibit an abrupt rupture followed by fast crack propagation. The reason for this anisotropy is due to the fact that y-direction stretching leads to a deformation in the shape of the rings that cause the breaking of bonds in the pentagon-octagon and pentagon-pentagon ring connections, which is not observed for the x-direction. PopG is less stiff than graphene membranes, but the Young's modulus value is only 15 % smaller. (© 2020 Wiley-VCH GmbH.) |
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| معلومات مُعتمدة: | International CAPES; International CNPq; International FAPESP; International FAP-DF; 00193.0000248 /2019-32 International CNPq; 302236/2018-0 International CNPq; International Center for Computing in Engineering and Sciences at Unicamp; 2013/08293-7 International FAPESP/CEPID; 2018/11352-7 International FAPESP/CEPID; International Laboratório de Simulação Computacional Cajuína (LSCC); International Universidade Federal do Piauí; International CENAPAD-SP |
| فهرسة مساهمة: | Keywords: Carbon Allotrope; Mechanical/Thermal properties; Nanostructures; Popgraphene |
| تواريخ الأحداث: | Date Created: 20200815 Date Completed: 20201215 Latest Revision: 20201215 |
| رمز التحديث: | 20231215 |
| DOI: | 10.1002/cphc.202000403 |
| PMID: | 32794322 |
| قاعدة البيانات: | MEDLINE |
Full Text Finder | تدمد: | 1439-7641 |
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| DOI: | 10.1002/cphc.202000403 |