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Third-cycle subject: Applied Physics
The energetics and dynamics of wetting are of high interest from both fundamental scientific and technological perspectives. Often, the macroscopic behavior of wetting is dominated by processes at the molecular scale at the interface. Here, the three-phase contact line, where substrate, liquid, and gas (or another liquid) meet, is of particular importance. These scales cannot be observed directly in experiments. Atomistic molecular dynamics simulations provide the required spatial and time resolutions. In this project, we will study how mixtures of two liquids or a liquid plus surfactant wet surfaces. The surfaces can be either simple or have molecules attached to them that interact with the liquid in different ways. Non-trivial behavior has been observed in experiments, which can be due to preferential wetting of the substrate by one of the liquids (energetics) or differences in the dynamic behavior of liquids at the contact line. Molecular dynamics simulations enable us to disentangle these effects and rationalize behavior observed in experiments. As a further step, we might capture certain types of behavior as boundary conditions or extensions of continuum models, developed in collaboration with the Department of Mechanics.
This PhD position is within a collaborative environment shared with the Department of Mechanics, where there is development of continuum methods and experiments. The environment is multidisciplinary, international, and includes the main developers of the popular GROMACS molecular simulation package, which will be used in this project.
Berk Hess is proposed to supervise the doctoral student. Decisions are made on admission.
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Contact: Berk Hess, hess@kth.se
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