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Employing density functional theory calculations we explore initial stage of competitive alloying of co-deposited silver and indium atoms into a silicon surface. Particularly, we identify respective adsorption positions and activation…
In this work we present a molecular dynamics simulation of a FFM experiment. The tip-sample interaction is studied by varying the normal force in the tip and the temperature of the surface. The friction force, cA, at zero load and the…
It was found recently that the liquid dynamics of several metals (Li, Zn, Ni, Fe, Tl, Pb) under pressure is characterized by transverse spectral functions containing an additional high-frequency peak. To rationalize the pressure dependence…
Thermal multifragmentation of hot nuclei is interpreted as the nuclear liquid--fog phase transition deep inside the spinodal region. The experimental data for p(8.1GeV) + Au collisions are analyzed. It is concluded that the decay process of…
Radiative mixing layers arise wherever multiphase gas, shear, and radiative cooling are present. Simulations show that in steady state, thermal advection from the hot phase balances radiative cooling. However, many features are puzzling.…
Colloidal particles with appropriate wetting properties can become very strongly trapped at an interface between two immiscible fluids. We have harnessed this phenomenon to create a new class of soft materials with intriguing and…
The dynamics of binary colloidal mixture subjected to an external potential barrier is investigated using molecular dynamics simulations. The depletion interactions between the potential barrier and larger components of the mixture alters…
Lattice dynamics and molecular dynamics studies of the oxides UO2 and Li2O in their normal as well as superionic phase are reported. Lattice dynamics calculations have been carried out using a shell model in the quasiharmonic approximation.…
Interlayer magnetic interactions play a pivotal role in determining the magnetic arrangement within van der Waals (vdW) magnets, and the remarkable tunability of these interactions through applied pressure further enhances their…
Bimetallic nanoparticles are often superior candidates for a wide range of technological and biomedical applications, thanks to their enhanced catalytic, optical, and magnetic properties, which are often better than their monometallic…
We discuss the front propagation in the $A+B\rightarrow 2A$ reaction under subdiffusion which is described by continuous time random walks with a heavy-tailed power law waiting time probability density function. Using a crossover argument,…
We demonstrate the magnetization reversal features in NiFe/IrMn/NiFe thin-film structures with 40% and 75% relative content of Ni in Permalloy in the temperature range from 80 K to 300 K. At the descending branches of the hysteresis loops,…
This progress report summarizes recent studies of electrochemical oxidation to modulate the interfacial tension of gallium-based alloys. These alloys, which are liquid at ambient conditions, have the largest interfacial tension of any…
Transition metal dihalides have recently garnered interest in the context of two-dimensional van der Waals magnets as their underlying geometrically frustrated triangular lattice leads to interesting competing exchange interactions. In…
The mid-infrared heating of interfacial water with different initial temperatures is studied using non-equilibrium molecular dynamics simulation. It is found that under the irradiation of a pulse at 3360-3380 $cm^{-1}$ the two-dimensional…
Observations have revealed that the elemental abundances of carbon and oxygen in the warm molecular layers of some protoplanetary disks are depleted compared to those is the interstellar medium by a factor of ~10-100. Meanwhile, little is…
The kinetic processes in nanoparticle-based catalysis are dominated by large fluctuations and spatiotemporal heterogeneities, in particular for diffusion-influenced reactions which are far from equilibrium. Here, we report results from…
Advanced g-TiAl based intermetallics Mo-bearing have been developed to obtain the fine-grained microstructure required for superplastic deformation to be used during further processing. In the present work we have studied an alloy of…
This work investigates the two-dimensional thermal behavior of a bilayer medium subject to both internal and external heat sources. The model incorporates diffusion, advection, and temperature-dependent volumetric heat generation or…
We perform molecular dynamics simulations to understand the translational and rotational diffusion of Janus nanoparticles at the interface between two immiscible fluids. Considering spherical particles with different affinity to fluid…