Effect of particle size on the phase transformation behavior and equation of state of Si under hydrostatic loading
arxiv(2024)
摘要
High-pressure synchrotron X-ray diffraction (XRD) studies have been conducted
on three types of Si particles (micron, 100 nm, and 30 nm). The pressure for
initiation of Si-I->Si-II phase transformation (PT) essentially increases with
a reduction in particle size. For 30 nm Si particles, Si-I directly transforms
to Si-XI by skipping the intermediate Si-II phase, which appears during the
pressure release. The evolution of phase fractions of Si particles under
hydrostatic compression is studied. The equation of state (EOS) of Si-I, Si-II,
Si-V, and Si-XI for all three particle sizes is determined, and the results are
compared with other studies. A simple iterative procedure is suggested to
extract the EOS of Si-XI and Si-II from the data for a mixture of two and three
phases with different pressures in each phase. Using previous atomistic
simulations, EOS for Si-II is extended to ambient pressure, which is important
for plastic strain-induced phase transformations. Surprisingly, the EOS of
micron and 30 nm Si are identical, but different from 100 nm particles. In
particular, the Si-I phase of 100 nm Si is less compressible than that of
micron and 30 nm Si. The reverse Si-V->Si-I PT is observed for the first time
after complete pressure release to the ambient for 100 nm particles.
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