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10.3390/ma13030702
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Letter

The Interfacial Characteristics of Graphene/Al4C3 in Graphene/AlSi10Mg Composites Prepared by Selective Laser Melting: First Principles and Experimental Results

by
Wenjie Zhao
1,†,
Zhanyong Zhao
1,*,†,
Peikang Bai
1,*,
Lizheng Zhang
1,
Bing Han
2 and
Wenbo Du
3
1
School of Materials Science and Engineering, North University of China, Taiyuan 030051, China
2
College of Mechatronics Engineering, North University of China, Taiyuan 030051, China
3
National Key Laboratory for Remanufacturing, Academy of Army Armored Forces, Beijing 100072, China
*
Authors to whom correspondence should be addressed.
†
These authors contributed equally to this work.
Materials 2020, 13(3), 702; https://doi.org/10.3390/ma13030702
Submission received: 27 December 2019 / Revised: 17 January 2020 / Accepted: 23 January 2020 / Published: 4 February 2020
(This article belongs to the Special Issue First-Principle and Atomistic Modelling in Materials Science)
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Abstract

The Al4C3 phase was precipitated via a reaction of graphene (Gr) with Al during selective laser melting (SLM). The interfacial nature of the Gr (0001)/Al4C3 (0001) interface was determined using the first-principle calculation. The simulation results showed that the influence of the stacking site on the interfacial structure was limited and the Al-termination interface presented a more stable structure than the C-termination interface. The Al-termination-CH site interface had the largest work of adhesion (6.28 J/m2) and the smallest interfacial distance (2.02 Å) among the four interfacial structures. Mulliken bond population analysis showed that the bonding of the Al-termination interface was a mixture of covalent and ionic bonds and there was no chemical bonding in the C-termination interface.
Keywords: selective laser melting; graphene; first principle; interfacial bonding; interface alloying selective laser melting; graphene; first principle; interfacial bonding; interface alloying

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MDPI and ACS Style

Zhao, W.; Zhao, Z.; Bai, P.; Zhang, L.; Han, B.; Du, W. The Interfacial Characteristics of Graphene/Al4C3 in Graphene/AlSi10Mg Composites Prepared by Selective Laser Melting: First Principles and Experimental Results. Materials 2020, 13, 702. https://doi.org/10.3390/ma13030702

AMA Style

Zhao W, Zhao Z, Bai P, Zhang L, Han B, Du W. The Interfacial Characteristics of Graphene/Al4C3 in Graphene/AlSi10Mg Composites Prepared by Selective Laser Melting: First Principles and Experimental Results. Materials. 2020; 13(3):702. https://doi.org/10.3390/ma13030702

Chicago/Turabian Style

Zhao, Wenjie, Zhanyong Zhao, Peikang Bai, Lizheng Zhang, Bing Han, and Wenbo Du. 2020. "The Interfacial Characteristics of Graphene/Al4C3 in Graphene/AlSi10Mg Composites Prepared by Selective Laser Melting: First Principles and Experimental Results" Materials 13, no. 3: 702. https://doi.org/10.3390/ma13030702

APA Style

Zhao, W., Zhao, Z., Bai, P., Zhang, L., Han, B., & Du, W. (2020). The Interfacial Characteristics of Graphene/Al4C3 in Graphene/AlSi10Mg Composites Prepared by Selective Laser Melting: First Principles and Experimental Results. Materials, 13(3), 702. https://doi.org/10.3390/ma13030702

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