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Atomistic calculations were carried out to investigate the mechanical properties of Pd crystals as a combined function of structural defects, hydrogen concentration and high temperature. These factors are found to individually induce…
Using experiments and simulations, we study the flow of soft particles through quasi-two-dimensional hoppers. The first experiment uses oil-in-water emulsion droplets in a thin sample chamber. Due to surfactants coating the droplets, they…
Context: Bouncing collisions of dust aggregates within the protoplanetary may have a significant impact on the growth process of planetesimals. Yet, the conditions that result in bouncing are not very well understood. Existing simulations…
Recent observations of protoplanetary disks (PPDs) in the sub-mm have revealed the ubiquity of annular substructures, indicative of pebble-sized dust particles trapped in turbulent ring-like gas pressure bumps. This major paradigm shift…
Actively propelled particles undergoing dissipative collisions are known to develop a state of spatially distributed coherently moving clusters. For densities larger than a characteristic value clusters grow in time and form a stationary…
In the inner crust of a neutron star, due to the high density and pressure, nuclei which are still present, are immersed in a neutron superfluid. One then expects that the dynamical properties of nuclei are significantly affected. In order…
We use a combination of unsupervised clustering and sparsity-promoting inference algorithms to learn locally dominant force balances that explain macroscopic pattern formation in self-organized active particle systems. The self-organized…
We investigate the role of AGN feedback in turbulent heating of galaxy clusters. Specifically, we analyze the production of turbulence by g-modes generated by the supersonic expansion and buoyant rise of AGN-driven bubbles. Previous work…
We study the formation of a colloidal gel by means of Molecular Dynamics simulations of a model for colloidal suspensions. A slowing down with gel-like features is observed at low temperatures and low volume fractions, due to the formation…
Hydrogen combustion systems operated under fuel-lean conditions offer great potential for low emissions. However, these operating conditions are also susceptible to intrinsic thermodiffusive combustion instabilities. Even though technical…
In order to asses the effect of hydrodynamics in the assembly of active attractive spheres, we simulate a semi-dilute suspension of attractive self-propelled spherical particles in a quasi two dimensional geometry comparing the case with…
One-dimensional bosons interacting via a soft-shoulder potential are investigated at zero temperature. The flatness of the potential at short distances introduces a typical length, such that, at relatively high densities and sufficiently…
Molecular segregation in methanol-water mixtures is studied across a wide concentration range as a function of temperature and pressure. Cluster distributions obtained from both neutron diffraction and molecular dynamics simulations point…
Chemical reactions in small droplets are extensively explored to accelerate the discovery of new materials, increase efficiency and specificity in catalytic biphasic conversion and in high throughput analytics. In this work, we investigate…
In this work, we present experiments and simulations on the nucleation and successive dynamics of laser-induced bubbles inside liquid droplets in free-fall motion, i.e. a case with a free boundary in all directions. The droplets of a…
In the framework of the isospin-dependent Boltzmann-Uehling-Uhlenbeck transport model, nuclear bubble configuration in the hypothetical $^{48}$Si nucleus is studied by proton induced central reaction at an incident beam energy of 0.8…
We show that phase separation can occur in a one-component liquid outside its coexistence curve (CX) with addition of a small amount of a solute. The solute concentration at the transition decreases with increasing the difference of the…
The hydrogen phase diagram has a number of unusual features which are generally well reproduced by density functional calculations. Unfortunately, these calculations fail to provide good physical insights into why those features occur. In…
Hydrogen intercalation in solids is common, complicated, and very difficult to monitor. In a new approach to the problem, we have studied the profile of hydrogen diffusion in single-crystal nanobeams and plates of VO2, exploiting the fact…
Materials used in commercial D-T fusion reactors will be exposed to irradiation and a mixture of helium and hydrogen plasma. Modeling the microstructural evolution of such materials requires the use of large-scale molecular dynamics…