First-principles Analysis of SiC/Al Composites Interface

Qipeng Wang; Junlei Shi

doi:doi:10.11648/j.ijfmts.20190504.11

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First-principles Analysis of SiC/Al Composites Interface

Qipeng Wang, Junlei Shi

Published in International Journal of Fluid Mechanics & Thermal Sciences (Volume 5, Issue 4)

Received: 30 August 2019 Accepted: 7 October 2019 Published: 17 October 2019

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Abstract

The interface of SiCp/Al composites is an important factor affecting the properties of materials, Different interface layers have different interface bonding strengths, which have different effects on the properties of SiCp/Al composites. In this paper, the possible binding energy of interface in SiCp/Al composites is studied, then the influence of the interfacial binding energy on the SiCp/Al composites is analyzed, and the method of controlling the interface of SiCp/Al composites is proposed. Firstly, three interface models that may exist in SiCp/Al composites were constructed in Material Studio software, and the model structure was optimized, then the first-principles simulation of the optimized interfaces model of SiCp/Al composites was carried out, and the interfacial bonding energy of SiC-Al, SiC-SiO2-Al and SiC-Al2O3-Al was calculated respectively. The order of the interfacial binding energy was: SiC(100)-Al(100) < SiC(100)-SiO₂ (100)-Al(100) < SiC(100)-Al₂O₃ (100)-Al(100). It can be known from the simulation results that the interfacial bonding energy of the interface layer containing the oxide is large, since the oxide can improve the wettability between the matrix and the reinforcement. Therefore, in order to obtain a well-bonded SiCp/Al composite, the SiC particles are usually surface-modified to regulate the interface of the SiCp/Al composite. Thereby, the SiCp/Al composite material with high interface bonding strength and excellent performance is obtained.

Published in	International Journal of Fluid Mechanics & Thermal Sciences (Volume 5, Issue 4)
DOI	10.11648/j.ijfmts.20190504.11
Page(s)	91-95
Creative Commons	This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited.
Copyright	Copyright © The Author(s), 2019. Published by Science Publishing Group

Keywords

SiCp/Al Composite, First Principle, Interface, Simulation

References

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Qipeng Wang, Junlei Shi. (2019). First-principles Analysis of SiC/Al Composites Interface. International Journal of Fluid Mechanics & Thermal Sciences, 5(4), 91-95. https://doi.org/10.11648/j.ijfmts.20190504.11

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ACS Style

Qipeng Wang; Junlei Shi. First-principles Analysis of SiC/Al Composites Interface. Int. J. Fluid Mech. Therm. Sci. 2019, 5(4), 91-95. doi: 10.11648/j.ijfmts.20190504.11

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AMA Style

Qipeng Wang, Junlei Shi. First-principles Analysis of SiC/Al Composites Interface. Int J Fluid Mech Therm Sci. 2019;5(4):91-95. doi: 10.11648/j.ijfmts.20190504.11

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@article{10.11648/j.ijfmts.20190504.11,
  author = {Qipeng Wang and Junlei Shi},
  title = {First-principles Analysis of SiC/Al Composites Interface},
  journal = {International Journal of Fluid Mechanics & Thermal Sciences},
  volume = {5},
  number = {4},
  pages = {91-95},
  doi = {10.11648/j.ijfmts.20190504.11},
  url = {https://doi.org/10.11648/j.ijfmts.20190504.11},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ijfmts.20190504.11},
  abstract = {The interface of SiCp/Al composites is an important factor affecting the properties of materials, Different interface layers have different interface bonding strengths, which have different effects on the properties of SiCp/Al composites. In this paper, the possible binding energy of interface in SiCp/Al composites is studied, then the influence of the interfacial binding energy on the SiCp/Al composites is analyzed, and the method of controlling the interface of SiCp/Al composites is proposed. Firstly, three interface models that may exist in SiCp/Al composites were constructed in Material Studio software, and the model structure was optimized, then the first-principles simulation of the optimized interfaces model of SiCp/Al composites was carried out, and the interfacial bonding energy of SiC-Al, SiC-SiO2-Al and SiC-Al2O3-Al was calculated respectively. The order of the interfacial binding energy was: SiC(100)-Al(100) 2 (100)-Al(100) 2O3 (100)-Al(100). It can be known from the simulation results that the interfacial bonding energy of the interface layer containing the oxide is large, since the oxide can improve the wettability between the matrix and the reinforcement. Therefore, in order to obtain a well-bonded SiCp/Al composite, the SiC particles are usually surface-modified to regulate the interface of the SiCp/Al composite. Thereby, the SiCp/Al composite material with high interface bonding strength and excellent performance is obtained.},
 year = {2019}
}

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TY  - JOUR
T1  - First-principles Analysis of SiC/Al Composites Interface
AU  - Qipeng Wang
AU  - Junlei Shi
Y1  - 2019/10/17
PY  - 2019
N1  - https://doi.org/10.11648/j.ijfmts.20190504.11
DO  - 10.11648/j.ijfmts.20190504.11
T2  - International Journal of Fluid Mechanics & Thermal Sciences
JF  - International Journal of Fluid Mechanics & Thermal Sciences
JO  - International Journal of Fluid Mechanics & Thermal Sciences
SP  - 91
EP  - 95
PB  - Science Publishing Group
SN  - 2469-8113
UR  - https://doi.org/10.11648/j.ijfmts.20190504.11
AB  - The interface of SiCp/Al composites is an important factor affecting the properties of materials, Different interface layers have different interface bonding strengths, which have different effects on the properties of SiCp/Al composites. In this paper, the possible binding energy of interface in SiCp/Al composites is studied, then the influence of the interfacial binding energy on the SiCp/Al composites is analyzed, and the method of controlling the interface of SiCp/Al composites is proposed. Firstly, three interface models that may exist in SiCp/Al composites were constructed in Material Studio software, and the model structure was optimized, then the first-principles simulation of the optimized interfaces model of SiCp/Al composites was carried out, and the interfacial bonding energy of SiC-Al, SiC-SiO2-Al and SiC-Al2O3-Al was calculated respectively. The order of the interfacial binding energy was: SiC(100)-Al(100) 2 (100)-Al(100) 2O3 (100)-Al(100). It can be known from the simulation results that the interfacial bonding energy of the interface layer containing the oxide is large, since the oxide can improve the wettability between the matrix and the reinforcement. Therefore, in order to obtain a well-bonded SiCp/Al composite, the SiC particles are usually surface-modified to regulate the interface of the SiCp/Al composite. Thereby, the SiCp/Al composite material with high interface bonding strength and excellent performance is obtained.
VL  - 5
IS  - 4
ER  -

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Author Information

Qipeng Wang

School of Materials Science and Engineering, Anhui University of Science and Technology, Huainan, China
Junlei Shi

School of Materials Science and Engineering, Anhui University of Science and Technology, Huainan, China

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Qipeng Wang, Junlei Shi. (2019). First-principles Analysis of SiC/Al Composites Interface. International Journal of Fluid Mechanics & Thermal Sciences, 5(4), 91-95. https://doi.org/10.11648/j.ijfmts.20190504.11

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ACS Style

Qipeng Wang; Junlei Shi. First-principles Analysis of SiC/Al Composites Interface. Int. J. Fluid Mech. Therm. Sci. 2019, 5(4), 91-95. doi: 10.11648/j.ijfmts.20190504.11

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AMA Style

Qipeng Wang, Junlei Shi. First-principles Analysis of SiC/Al Composites Interface. Int J Fluid Mech Therm Sci. 2019;5(4):91-95. doi: 10.11648/j.ijfmts.20190504.11

Copy | Download

@article{10.11648/j.ijfmts.20190504.11,
  author = {Qipeng Wang and Junlei Shi},
  title = {First-principles Analysis of SiC/Al Composites Interface},
  journal = {International Journal of Fluid Mechanics & Thermal Sciences},
  volume = {5},
  number = {4},
  pages = {91-95},
  doi = {10.11648/j.ijfmts.20190504.11},
  url = {https://doi.org/10.11648/j.ijfmts.20190504.11},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ijfmts.20190504.11},
  abstract = {The interface of SiCp/Al composites is an important factor affecting the properties of materials, Different interface layers have different interface bonding strengths, which have different effects on the properties of SiCp/Al composites. In this paper, the possible binding energy of interface in SiCp/Al composites is studied, then the influence of the interfacial binding energy on the SiCp/Al composites is analyzed, and the method of controlling the interface of SiCp/Al composites is proposed. Firstly, three interface models that may exist in SiCp/Al composites were constructed in Material Studio software, and the model structure was optimized, then the first-principles simulation of the optimized interfaces model of SiCp/Al composites was carried out, and the interfacial bonding energy of SiC-Al, SiC-SiO2-Al and SiC-Al2O3-Al was calculated respectively. The order of the interfacial binding energy was: SiC(100)-Al(100) 2 (100)-Al(100) 2O3 (100)-Al(100). It can be known from the simulation results that the interfacial bonding energy of the interface layer containing the oxide is large, since the oxide can improve the wettability between the matrix and the reinforcement. Therefore, in order to obtain a well-bonded SiCp/Al composite, the SiC particles are usually surface-modified to regulate the interface of the SiCp/Al composite. Thereby, the SiCp/Al composite material with high interface bonding strength and excellent performance is obtained.},
 year = {2019}
}

Copy | Download

TY  - JOUR
T1  - First-principles Analysis of SiC/Al Composites Interface
AU  - Qipeng Wang
AU  - Junlei Shi
Y1  - 2019/10/17
PY  - 2019
N1  - https://doi.org/10.11648/j.ijfmts.20190504.11
DO  - 10.11648/j.ijfmts.20190504.11
T2  - International Journal of Fluid Mechanics & Thermal Sciences
JF  - International Journal of Fluid Mechanics & Thermal Sciences
JO  - International Journal of Fluid Mechanics & Thermal Sciences
SP  - 91
EP  - 95
PB  - Science Publishing Group
SN  - 2469-8113
UR  - https://doi.org/10.11648/j.ijfmts.20190504.11
AB  - The interface of SiCp/Al composites is an important factor affecting the properties of materials, Different interface layers have different interface bonding strengths, which have different effects on the properties of SiCp/Al composites. In this paper, the possible binding energy of interface in SiCp/Al composites is studied, then the influence of the interfacial binding energy on the SiCp/Al composites is analyzed, and the method of controlling the interface of SiCp/Al composites is proposed. Firstly, three interface models that may exist in SiCp/Al composites were constructed in Material Studio software, and the model structure was optimized, then the first-principles simulation of the optimized interfaces model of SiCp/Al composites was carried out, and the interfacial bonding energy of SiC-Al, SiC-SiO2-Al and SiC-Al2O3-Al was calculated respectively. The order of the interfacial binding energy was: SiC(100)-Al(100) 2 (100)-Al(100) 2O3 (100)-Al(100). It can be known from the simulation results that the interfacial bonding energy of the interface layer containing the oxide is large, since the oxide can improve the wettability between the matrix and the reinforcement. Therefore, in order to obtain a well-bonded SiCp/Al composite, the SiC particles are usually surface-modified to regulate the interface of the SiCp/Al composite. Thereby, the SiCp/Al composite material with high interface bonding strength and excellent performance is obtained.
VL  - 5
IS  - 4
ER  -

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