Related papers: Melting of thin silicon films: a molecular dynamic…
Layered III-chalcogenide compounds belong to a variety of layered crystals that can be implemented in van der Waals heterostructures. Here we report an optical study of the stability of two of these compounds: indium selenide (InSe) and…
A molecular-dynamics thermal annealing model is proposed to investigate the mechanisms involved in picosecond pulsed laser ablation of crystalline silicon. In accordance with the thermal annealing model, a detailed description of the…
Using molecular dynamics (MD) simulation, we have calculated the melting temperature of two-dimensional electron systems on $ 240$\AA-$ 500$\AA helium films supported by substrates of dielectric constants $ \epsilon_{s}=2.2-11.9$ at areal…
Silica (SiO2) is fundamental to both industrial technology and planetary science, yet the phase relations of its high-pressure polymorphs remain poorly constrained. Here, we develop two machine learning potentials (MLPs) for SiO2 that…
We study the effects of time-dependent substrate/film temperature in the deposition of a mesoscopically thick film using a statistical model that accounts for diffusion of adatoms without lateral neighbors whose coefficients depend on an…
Silicon carbide (SiC) has long been a subject of study for its application in harsh environments. Existing empirical interatomic potentials for 3C-SiC show significant discrepancies in predicting the properties that are crucial in…
Superconducting thin films have been prepared on Si-substrates, using pulsed laser deposition from a target composed of a mixture of Mg and MgB2 powders. The films were deposited at room temperature and post-annealed at 600 degrees C. The…
As with many parts of the natural sciences, machine learning interatomic potentials (MLIPs) are revolutionizing the modeling of molecular crystals. However, challenges remain for the accurate and efficient calculation of sublimation…
The glass transition temperature $T_g$ and the temperature $T_{\alpha}$ corresponding to the peak in the dielectric loss due to the $\alpha$-process have been simultaneously determined as functions of film thickness $d$ through dielectric…
Dielectric relaxation spectroscopy 10^-1 Hz to 10^6 Hz) is employed to study the molecular dynamics of poly(dimethylsiloxane) (PDMS, Mw=1.7 10^5 g/mol and Mw=9.6 10^4 g/mol as grafted films with thicknesses d below and above the radius of…
We analyze the influence of the surface passivation produced by oxides on the superconducting properties of $\gamma$-Mo$_2$N ultra-thin films. The superconducting critical temperature of thin films grown directly on Si (100) with those…
Superconducting thin films have been prepared in a two-step in-situ process, using the Mg-B plasma generated by pulsed laser ablation. The target was composed of a mixture of Mg and MgB2 powders to compensate for the volatility of Mg and…
The glass transition temperature and its connection to statistical properties of confined and free-standing polymer films of varying thickness containing unentangled to highly entangled bead-spring chains are studied by molecular dynamics…
We systematically investigated the physical properties of amorphous Mo$_{\rm x}$Si$_{1-x}$ films deposited by the magnetron co-sputtering technique. The critical temperature $T_C$ of Mo$_{\rm x}$ Si$_{1-x}$ films increases gradually with…
5$\mu$m thick SmCo films were deposited onto Si substrates using triode sputtering. A study of the influence of deposition temperature (Tdep <= 600 degrees C) on the structural, magnetic and mechanical properties has shown that optimum…
Recent advances have demonstrated that evaporation can play a significant role on soap film stability, which is a key concern in many industrial areas but also for children playing with bubbles. Thus, evaporation leads to a film thinning…
The glass transition temperature $T_{\rm g}$ and the temperature $T_{\alpha}$ corresponding to the peak in the dielectric loss due to the $\alpha$-process have been simultaneously determined as functions of film thickness d through…
We report on the rejuvenation of thin films of polystyrene (PS) as they are heated from stable glassy states - prepared either through vapour deposition or physical aging. For films with thickness $h \gtrsim 200$ nm, the rejuvenation of…
The retraction of thin films, as described by the Taylor-Culick (TC) theory, is subject to widespread debate, particularly for films at the nanoscale. We use non-equilibrium molecular dynamics simulations to explore the validity of the…
Thin films of MgB2 superconductor were prepared by three different procedures on sapphire and silicon substrates. Boron thin films, ex-situ annealed in magnesium vapour, resulted in textured polycrystalline films with crystal dimensions…