Related papers: Molecular Dynamics Simulation of Nanoporous Tungst…
Thermal conduction in polymer nanocomposites depends on several parameters including the thermal conductivity and geometrical features of the nanoparticles, the particle loading, their degree of dispersion and formation of a percolating…
Tungsten is considered as one of the most promising materials for nuclear fusion reactor chamber applications. Wire + Arc Additive Manufacturing has already demonstrated the ability to deposit defect-free large-scale tungsten structures,…
Recently reported results on the long lifetime of the tungsten samples under high temperature and high stress conditions expected in the Neutrino Factory target have strengthened the case for a solid target option for the Neutrino Factory.…
Antiferromagnetic materials hold promising prospects in novel types of spintronics applications. Assessing the stability of antiferromagnetic nanostructures against thermal excitations is a crucial aspect of designing devices with a high…
Large-scale molecular dynamics simulations are used to simulate a layer of nanoparticles diffusing on the surface of a liquid. Both a low viscosity liquid, represented by Lennard-Jones monomers, and a high viscosity liquid, represented by…
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…
Tungsten peaking is predicted in the core of a WEST plasma with total-f gyrokinetic simulations, including both collisional and turbulent transport. This prediction is validated with a synthetic diagnostic of the bolometry. Although…
Irreversible effects in thermoelectric materials limit their efficiency and economy for applications in power generation and refrigeration. While electron transport is unavoidably irreversible in bulk materials, here we derive conditions…
This study delves into the complex mechanisms of defect production and accumulation in nanocrystalline tungsten under irradiation, with a particular focus on the interplay between grain boundaries and free surfaces. Through molecular…
Electrocatalysis is greatly influenced by the local reaction environment, which is governed by the structure of the catalyst, the distribution of the electrolyte, and the local electric field. In catalytic systems comprised of complex…
Propagation of non-topological soliton in many-nucleus systems is studied based on time-dependent density functional calculations with focusing on mass and energy dependence. The dispersive property and the nonlinearity of the system, which…
Understanding intrusion and extrusion in nanoporous materials is a challenging multiscale problem of utmost importance for applications ranging from energy storage and dissipation to water desalination and hydrophobic gating in ion…
The mechanisms of physical and chemical interactions of low temperature plasmas with surfaces can be fruitfully explored using molecular dynamics (MD) simulations. MD simulations follow the detailed motion of sets of interacting atoms…
Molecular dynamics (MD) simulations of successive collision cascades within the same simulation domain were performed using two different inter-atomic potentials (IAP) in tungsten, one EAM based and the other a `quantum accurate' machine…
The more-than-6000 2D materials predicted thus far provide a huge combinatorial space for forming functional heterostructures with bulk materials, with potential applications in nanoelectronics, sensing, and energy conversion. In this work,…
Recent developments in theory-based modelling of core heavy impurity transport are presented, and shown to be necessary for quantitative description of present experiments in JET and ASDEX Upgrade. The treatment of heavy impurities is…
The surface of metal nanoparticles can support plasmonic excitations. These excitations dramatically amplify the electric field of incident light (by several orders of magnitude), potentially ionizing the irradiated nanoparticles in a…
A theory of nucleus-nucleus collisions has been developed for kinetic energies substantially in excess of the binding energy. The very high pressure produced in the compound system as a result of the fusion of the two colliding nuclei is…
Nanostructured solid boron-hydrogen compounds have been suggested as target and fuel for laser fusion, offering improved laser-plasma coupling, avoiding cryogenic fuel handling and fuel pre-compression and ultimately allowing a transit from…
Nanoporous metals possess unique properties attributed to their high surface area and interconnected nanoscale ligaments. They are mostly fabricated by wet synthetic methods involving solution-based dealloying processes whose purity is…