Date: 27 September, 2024


Dataset Title: The Impact of the Interphase thickness on the Elastic Properties of Unidirectional silicon carbide and silicon carbide (SiC/SiC) Composites


Dataset Creators: O. Aluko


Dataset Contact: Olanrewaju Aluko aluko@umich.edu


Funding: No research funding


Key Points:
- Model the constituents of ceramic matrix composite (Cubic & hexagonal SiC, and amorphous boron nitride (aBN)). 
- Determine the effect of interphase thickness of elastic properties of SiC/SiC composites..
- Determine the elastic behaviors of the composite at different length scales. 


Research Overview:
The multiscale analysis method was used to investigate the influence of the interphase thickness on the elastic properties of SiC/SiC composites. The investigation provided a deeper understanding of the variation of elastic properties with the interphase thickness between matrix and fiber. It was shown that the effective engineering moduli of the composites vary with the thickness of the amorphous boron nitride (aBN) coating on the fibers. The study has provided a deeper insight on how thickness variations of the aBN interphase can be used as an adaptive mechanism for tailoring the engineering properties of SiC/SiC composites. In addition, the validated results at different length scales verified that the computational path has the potential to open the way for continued and optimized utilization of adaptive interphase for the development of high-performance composites, especially where Ceramic Matrix Composite (CMC) products will be needed to meet a wide range of the performance requirements, service conditions, and a specific engineering application.  .  


Methodology:
This involves multiscale computational mechanics and material modeling of silicon carbide and silicon carbide (SiC/SiC) ceramic matrix composites (CMC).The multiscale modeling approach generally has the capability to quickly model new materials at multiple length scales, and also provides the opportunity to determine the relationship among the mechanical properties of composites, volume fraction, type of reinforcement, and interfacial coating materials.  Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS:https://lammps.org/)  was applied to generate the Molecular Dynamics (MD) models of SiC fiber, SiC matrix, and amorphous boron nitride for the prediction of their elastic properties at the nano length scale.  Then, data from the SiC models was used as input in obtaining their polycrystalline properties. Finally, the obtained polycrystalline properties, in conjunction with  amorphous boron nitride (aBN) generated from MD, were in turn used as input data for continuum-level prediction using  Generalized Method of Cells (GMC) micromechanics theory to evaluate the elastic properties of the composites. 


Instrument and/or Software specifications: arge-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS): https://lammps.org/


Files contained here:

- Data_for_Hexagonal_SiC.xlsx: This spreadsheet contains data generated for the hexagonal SiC
- Data_for_cubic_SiC.xlsx: This spreadsheet contains data generated for the cubic SiC
- Data_for_aBN.xlsx: This spreadsheet contains data generated for ... 

Columns include: 
- Step: number of time steps
- v_Time: time in pico seconds (ps)
- Temp: temperature in Kelvins (K)
- TotEng: total energy in (eV)
- Press:  pressure (bars)
- PotEng: potential energy in (eV)
- Pxx:  Component of stress in x-direction (bars)
- Pyy:  Component of stress in y-direction (bars)
- Pzz:  Component of stress in x-direction (bars)
- Pxy:  Component of stress in xy-plane (bars)
- Pxz:  Component of stress in xz-plane (bars)
- Volume: Volume of the simulation box (Angstrom/cube)
- Lx, Ly, Lz: Dimension of simulation box in x, y, z, respectively (Angstrom)
- Density: Density of the material (gram/cm^dim)
 

Related publication(s):
O. Aluko .The Impact of the Interphase thickness on the Elastic Properties of Unidirectional SiC/SiC Composites. Forthcoming.


Use and Access: 
This data set is made available under a Creative Commons Public Domain license (CC0 1.0).


To Cite Data: 
Aluko, O. The Impact of the Interphase thickness on the Elastic Properties of Unidirectional SiC/SiC Composites [Data set], University of Michigan - Deep Blue Data. https://doi.org/10.7302/7c9z-p066