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Based on eq. 2, we calculated the interface energy barrier Φ B values of all devices (Fig.7b).
Due to the lack of experimental data we calculated the interface between two monomers for JEV SA14 and SA14-14-2 ectodomainectodomain using PISA.
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In general, the mechanistic model is used to calculate the interface stress by drying shrinkage and thermal expansion.
The penalty method is implemented to calculate the interface force between the two subdomains, the finite element (FE) and the discrete element (DE) subdomains.
As a result, the computational cost of evolving the large-scale diffusion field becomes insignificant when compared to that of calculating the interface evolution.
The hexagonal TaN and hexagonal ReB2 were chosen in this paper, and nine different interfaces of TaN(100)/ReB2 001) were chosen to calculate the interface energy, taking into account both N- and Ta-terminations.
The new characterization methods allow us to not only identify each individual microstructure entity, including grain cell, grain boundary interface, triple junction line and vertex point, but also calculate the interface area, the triple junction length, and the curvature of grain boundary interfaces and triple junction lines.
The condition that defines the dominant term, can be obtained by calculating the interface charges.
(theta) can then be used to create a vector representing the real-world environment's y-axis locally on the interface; this can then be used in calculating the interface's physical position.
The NACCESS program [26] was used to calculate the interface Accessible Surface Area (ASA).
This same MD protocol was applied to all VB1OE models emerging from the docking filtering procedure in order to calculate the interface ASA at the end of the MD run.
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