1k citations · 5.3k across the 37 of their papers we have counts for
38 papers
Liquid-liquid phase transition in simulations of ultrafast heating and decompression of amorphous ice
Nicolas Giovambattista, Peter H. Poole
A recent experiment [K. H. Kim, et al., Science 370, 978 (2020)] showed that it may be possible to detect a liquid-liquid phase transition (LLPT) in supercooled water by subjecting…
Free energy surface of two-step nucleation
Dean Eaton, Ivan Saika-Voivod, Richard K. Bowles +1
We test the theoretical free energy surface (FES) for two-step nucleation (TSN) proposed by Iwamatsu [J. Chem. Phys. 134, 164508 (2011)] by comparing the predictions of the theory…
The stability-limit conjecture revisited
Pheerawich Chitnelawong, Francesco Sciortino, Peter H. Poole
The stability-limit conjecture (SLC) proposes that the liquid spinodal of water returns to positive pressure in the supercooled region, and that the apparent divergence of water's…
Surface tension of supercooled water nanodroplets from computer simulations
Shahrazad M. A. Malek, Peter H. Poole, Ivan Saika-Voivod
We estimate the liquid-vapour surface tension from simulations of TIP4P/2005 water nanodroplets of size =100 to 2880 molecules over a temperature range of 180 K to 300 K. We…
Phase transitions in fluctuations and their role in two-step nucleation
Daniella James, Seamus Beairsto, Carmen Hartt +4
We consider the thermodynamic behavior of local fluctuations occurring in a stable or metastable bulk phase. For a system with three or more phases, a simple analysis based on clas…
Evaluating the Laplace pressure of water nanodroplets from simulations
Shahrazad M. A. Malek, Francesco Sciortino, Peter H. Poole +1
We calculate the components of the microscopic pressure tensor as a function of radial distance r from the centre of a spherical water droplet, modelled using the TIP4P/2005 potent…