Figure 4 | Scientific Reports

Figure 4

From: Evidence of a liquid–liquid phase transition in H\(_2\)O and D\(_2\)O from path-integral molecular dynamics simulations

Figure 4

Enthalpy H(T) of q-TIP4P/F water as a function of temperature for selected pressures. Results are from (a) PIMD simulations (solid circles) and (b) classical MD simulations (empty circles). Lines are the corresponding H(T) obtained from the TSEOS. In both cases, the TSEOS predictions are in excellent agreement with the MD/PIMD simulation results.

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