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Crumbling Crystals: On the Dissolution Mechanism of NaCl in Water
Niamh O'Neill, Christoph Schran, Stephen J. Cox +1
Life on Earth depends upon the dissolution of ionic salts in water, particularly NaCl. However, an atomistic scale understanding of the process remains elusive. Simulations lend th…
Classical quantum friction at water-carbon interfaces
Anna T. Bui, Fabian L. Thiemann, Angelos Michaelides +1
Friction at water-carbon interfaces remains a major puzzle with theories and simulations unable to explain experimental trends in nanoscale waterflow. A recent theoretical framewor…
A theory for the stabilization of polar crystal surfaces by a liquid environment
Stephen J. Cox
Polar crystal surfaces play an important role in the functionality of many materials, and have been studied extensively over many decades. In this article, a theoretical framework…
Dielectric response of thin water films: A thermodynamic perspective
Stephen J. Cox, Phillip L. Geissler
The surface of a polar liquid presents a special environment for the solvation and organization of charged solutes, which differ from bulk behaviors in important ways. These differ…
How do interfaces alter the dynamics of supercooled water?
Piero Gasparotto, Martin Fitzner, Stephen J. Cox +2
The structure of liquid water in the proximity of an interface can deviate significantly from that of bulk water, with surface-induced structural perturbations typically converging…
Can molecular simulations reliably compare homogeneous and heterogeneous ice nucleation?
Dominic Atherton, Angelos Michaelides, Stephen J. Cox
In principle, the answer to the posed titular question is undoubtedly 'yes.' But in practice, requisite reference data for homogeneous systems have been obtained with a treatment o…