Mechanical behavior and failure mechanism of multilayer graphene oxides with various oxygen contents and functional types: A ReaxFF molecular dynamics simulation (Record no. 53833)

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fixed length control field 02121nam a2200265Ia 4500
003 - CONTROL NUMBER IDENTIFIER
control field MX-MdCICY
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20250625162435.0
040 ## - CATALOGING SOURCE
Transcribing agency CICY
090 ## - LOCALLY ASSIGNED LC-TYPE CALL NUMBER (OCLC); LOCAL CALL NUMBER (RLIN)
Classification number (OCLC) (R) ; Classification number, CALL (RLIN) (NR) B-19712
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
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245 10 - TITLE STATEMENT
Title Mechanical behavior and failure mechanism of multilayer graphene oxides with various oxygen contents and functional types: A ReaxFF molecular dynamics simulation
490 0# - SERIES STATEMENT
Volume/sequential designation Applied Surface Science, 606, p.154920, 2022
520 3# - SUMMARY, ETC.
Summary, etc. An in-depth understanding about the failure mechanism of graphene oxide and its relationship with structure and temperature is essentially important to improve the mechanical properties of graphene oxides. In this work, a series of comparison groups have been established to investigate the effects of oxygen-containing functional group density, the number of layers, temperature, and hydroxyl to epoxy group ratio on the mechanical properties of monolayer and multilayer graphene oxides through ReaxFF molecular dynamics simulations. It is demonstrated that the position of functional group distribution plays a decisive role in the mechanical properties of graphene oxide. Meanwhile, the active thermal motion of atoms at high temperatures leads to a more fracture-prone structure, but the multilayer graphene oxide is less sensitive to temperature compared to monolayer graphene oxide. In addition, the structure with more hydroxyl groups has better mechanical properties because the distortion energy of the carbon skeleton caused by hydrogen groups is much smaller than that of epoxy groups. This study provides directions and possibilities for the optimization of the mechanical properties of graphene oxide.
650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element GRAPHENE OXIDE
650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element REAXFF
650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element MECHANICAL PROPERTIES
650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element STRUCTURAL ARRANGEMENT
700 12 - ADDED ENTRY--PERSONAL NAME
Personal name Bu, Y.
700 12 - ADDED ENTRY--PERSONAL NAME
Personal name Li, K.
700 12 - ADDED ENTRY--PERSONAL NAME
Personal name Guo, F.
700 12 - ADDED ENTRY--PERSONAL NAME
Personal name Liang, Z.
700 12 - ADDED ENTRY--PERSONAL NAME
Personal name Zhang, J.
856 40 - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier <a href="https://drive.google.com/file/d/19kCEU1QLezCC8OYvMf6M9IlUPHu_6804/view?usp=drivesdk">https://drive.google.com/file/d/19kCEU1QLezCC8OYvMf6M9IlUPHu_6804/view?usp=drivesdk</a>
Public note Para ver el documento ingresa a Google con tu cuenta: @cicy.edu.mx
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Source of classification or shelving scheme Clasificación local
Koha item type Documentos solicitados
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Lost status Source of classification or shelving scheme Damaged status Not for loan Collection Home library Current library Shelving location Date acquired Total checkouts Full call number Date last seen Price effective from Koha item type
  Clasificación local     Ref1 CICY CICY Documento préstamo interbibliotecario 25.06.2025   B-19712 25.06.2025 25.06.2025 Documentos solicitados