Related papers: Molecular-dynamics study of diffusional creep in u…
We present the modules for stellar nucleosynthesis, stellar mass loss, and turbulent diffusion of the new COLIBRE subgrid model for cosmological hydrodynamical simulations of galaxy formation. COLIBRE models the thermal evolution of the…
Strain rate and temperature dependence of the tensile strength of single-walled carbon nanotubes has been investigated with molecular dynamics simulations. The tensile failure or yield strain is found to be strongly dependent on the…
Recently, we have reported on low friction CrN/TiN coatings deposited using a hybrid sputtering technique. These multilayers exhibit friction coefficients $\mu$ below 0.1 when tested in atmosphere with a relative humidity $\approx25%$, but…
Significant differences exist among literature for thermal conductivity of various systems computed using molecular dynamics simulation. In some cases, unphysical results, for example, negative thermal conductivity, have been found. Using…
We investigate temperature dependent thermal conductivity k(T) in a single Ge nanowire (NW) using Optothermal Raman Spectroscopy which utilizes the temperature dependence of Raman lines as a local probe for temperature. The experiment was…
The mechanical properties of Cadmium telluride (CdTe) nanowire have become focus of interest now-a-days due to its promising application in opto-electro-mechanical nanodevices. Inthis study, molecular dynamics simulations have been used to…
We report on the new polycrystalline exchange bias system MnN/CoFe, which shows exchange bias of up to 1800Oe at room temperature with a coercive field around 600Oe. The room temperature values of the interfacial exchange energy and the…
Heat conduction of a real quasi-one dimensional material, the finite length carbon nanowire (CNW), inserted into the single-walled carbon nanotube (SWNT) has been studied by the molecular dynamical (MD) method, in which both of the…
Our main purpose is to estimate the effect of assuming uniform density on the line-of-sight in PDR chemistry models, compared to a more realistic distribution for which total gas densities may well vary by several orders of magnitude. A…
Investigating thermal transport in van der Waals heterostructure is of scientific interest and practical importance for their applications in a broad range. In this work, thermal conductivity of one-dimensional heterostructure consisting of…
We revisit the problem of describing creep in heterogeneous materials by an effective temperature by considering more realistic (and complex) non-mean-field elastic redistribution kernels. We show first, from theoretical considerations,…
We have investigated several ultra-thin copper nanobridges between supporting layers using a classical molecular dynamics simulation and a many-body potential function of the second-moment approximation of tight-binding scheme. This…
Carrier dynamics in metallic nanostructures is strongly influenced by their confining dimensions. Gold nanoparticles of size $\sim 2$ nm lie at the boundary separating metallic and non-metallic behavior. In this work, we report carrier…
SQUID magnetometry and polarised neutron reflectivity measurements have been employed to characterise the magnetic properties of U/Fe, U/Co and U/Gd multilayers. The field dependence of the magnetisation was measured at 10K in magnetic…
Using collision driven discrete molecular dynamics (DMD), we investigate the thermodynamics and dynamics of systems of 500 dumbbell molecules interacting by a purely repulsive ramp-like discretized potential, consisting of $n$ steps of…
Interactions between an edge dislocation and a void in copper are investigated by means of molecular dynamics simulation. The depinning stresses of the leading partial and of the trailing partial show qualitatively different behaviors. The…
One of the most active classes of nanostructures is Fullerene C$_{20}$, which has been exploited as an active component in significant applications. In this investigation, we used Monte Carlo simulations to investigate the magnetic and…
The peculiar linear temperature-dependent swelling of core-shell microgels has been conjectured to be linked to the core-shell architecture combining materials of different transition temperatures. Here the structure of pNIPMAM-core and…
Ultrathin layers of semiconducting molybdenum disulfide (MoS2) offer significant prospects in future electronic and optoelectronic applications. Although an increasing number of experiments bring light into the electronic transport…
Understanding the retention of hydrogen isotopes in liquid metals, such as lithium and tin, is of great importance in designing a liquid plasma-facing component in fusion reactors. However, experimental diffusivity data of hydrogen isotopes…