Ab initio studies of layering behavior of liquid sodium surfaces and interfaces
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We studied spark-generated bubble inside stable water drops produced in microgravity. The closed and isolated liquid geometry results in a unique confinement of subsequent shockwaves, since the latter bounce of the free surface. This setting results in an ...
We studied spark-generated shockwaves propagating inside stable water drops produced in microgravity. The closed and isolated liquid geometry results in a unique confinement of shockwaves, since the latter bounce of the free surface. This setting results i ...
Iridium adsorption on gamma-Al2O3 (001) surface has been studied using the ab initio calculation method and the electronic structures of the bare and the Ir adsorbed gamma-Al2O3 (001) surfaces have been analyzed. By modeling different adsorption sites, one ...
The structures of the liquid surface of sodium have been characterized with extensive first-principles molecular dynamics simulations based on ensemble density functional theory. Friedel oscillations in the electronic charge density at the free surface wer ...
Atoms at liquid metal surfaces are known to form layers parallel to the surface. We analyze the two-dimensional arrangement of atoms within such layers at the surface of liquid sodium using ab initio molecular dynamics (MD) simulations based on a full vers ...
Sessile liquid drops are predicted to deform an elastic surface onto which they are placed because of the combined action of the liquid surface tension at the periphery of the drop and the capillary pressure inside the drop. Here, we show for the first tim ...
This paper reports on an accurate and rapid method to compute the onset voltage for a single or for an array of electrospray emitters with complex geometries and on the correlation of the simulation with experimental data. This method permits the exact det ...
The cavitation phenomenon, which is due to a pressure drop in liquid flows, may be responsible of noise and vibration as well as efficiency alteration and material erosion. A tremendous work has been already performed to better understand the onset and dev ...
We study the relaxations, surface energies, and work functions of low-index metallic surfaces using pseudopotential plane-wave density-functional calculations within the generalized gradient approximation. We study here the (100), (110), and (111) surfaces ...
The dynamic of a cavitation bubble inside a water drop is investigated in microgravity in order to analyze the interaction between the collapsing bubble and a quasispherical free surface. Tests are carried in the frame of the 42nd parabolic flight campaign ...