The stress profile in the lithiation

In the following page, we will show the maximal principal stress, hydrostatic stress for reference. It can be observed that in higher temperature, the stress developed in the phase boundary is much lower than the low temperature case.

−28

Max Principal stress (GPa)

Position (Å)

Figure 7.1 The Si(100) maximum principal stress in NVT 800 K

−28

Max Principal stress (GPa)

Position (Å)

−28

Max Principal stress (GPa)

Position (Å)

Figure 7.3 The Si(111) maximum principal stress in NVT 800 K

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Max Principal stress (GPa)

Position (Å)

Figure 7.4 The Si(112) maximum principal stress in NVT 800 K

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Max Principal stress (GPa)

Position (Å)

Figure 7.5 The Si(100) maximum principal stress in NVT 1000K

−28

Max Principal stress (GPa)

Position (Å)

−28

Max Principal stress (GPa)

Position (Å)

Figure 7.7 The Si(111) maximum principal stress in NVT 1000K

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Max Principal stress (GPa)

Position (Å)

Figure 7.8 The Si(112) maximum principal stress in NVT 1000K

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Max Principal stress (GPa)

Position (Å)

Figure 7.9 The Si(100) maximum principal stress in NVT 1200K

−28

Max Principal stress (GPa)

Position (Å)

−28

Max Principal stress (GPa)

Position (Å)

Figure 7.11 The Si(111) maximum principal stress in NVT 1200K

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Max Principal stress (GPa)

Position (Å)

Figure 7.12 The Si(112) maximum principal stress in NVT 1200K

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