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On the transition from gas-like to liquid-like behaviour in supercritical N2

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arxiv 1909.12745 v3 pith:LNKZDCY6 submitted 2019-09-27 cond-mat.mtrl-sci cond-mat.other

classification cond-mat.mtrl-scicond-mat.other
keywords behaviourfrenkelgas-likelineliquid-liketransitionchangediffraction
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abstract

We have studied in detail the transition from gas-like to rigid liquid-like behaviour in supercritical $N_2$ at 300 K (2.4 $T_C$). Our study combines neutron diffraction and Raman spectroscopy with empirical potential structure refinement and ab-initio molecular dynamics simulations. We observe a narrow transition from gas-like to rigid liquid-like behaviour at ca. 150 MPa, which we associate with the Frenkel line. Our findings allow us to reliably characterize the Frenkel line using both diffraction and spectroscopy methods, backed up by simulation, for the same substance. We clearly lay out what parameters change, and what parameters do not change, when the Frenkel line is crossed.

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