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A possible design rule for preventing surface damage from thermal transients to solid tungsten armour is proposed and formulated for the plasma facing components (divertor, first wall) of magnetic fusion machines. The rule is based on…
An important process for antimatter experiments is the cooling of particles in a Penning-Malmberg trap to experimentally useful temperatures. A non-neutral plasma of one species (e.g. antiprotons) can be collisionally cooled on another…
Nanocrystalline materials have been proposed for use in future fusion reactors due to their high grain boundary density that may act as a sink for irradiation-induced defects. We use molecular dynamics to model collision cascades in…
Ferrofluids are typically suspensions of magnetite nanoparticles, and behave as a homogeneous continuum. The production of nanoparticles with a narrow size distribution and the achievement of colloidal stability are important technological…
Nanotechnology has been one of the fastest growing fields in the last three decades. Nanomaterials (sized 1-100 nm) has a wide spectrum of potential applications in many fields, applied as coating materials or in treatment and diagnosis.…
The objective of the present paper is to investigate the mechanical properties of carbon nanotubes. We use classical molecular dynamics simulation in order to study the effect of external compression, bending and torsion to nanotubes. We…
Successful assembly of suspended nanoscale rod-like particles depends on fundamental phenomena controlling rotational and translational diffusion. Despite the significant developments in fluidic fabrication of nanostructured materials, the…
Here we highlight recent progress in the field of computational chemistry of nanoporous materials, focusing on methods and studies that address the extraordinary dynamic nature of these systems: the high flexibility of their frameworks, the…
Molecular dynamics simulations are an important tool for describing the evolution of a chemical system with time. However, these simulations are inherently held back either by the prohibitive cost of accurate electronic structure theory…
Thermally driven nanotube nanomotors provide linear mass transportation controlled by a temperature gradient. However, the underlying mechanism is still unclear where the mass transportation velocity in experiment is much lower than that…
The nucleation and growth of pure titanium nanoparticles in a low-pressure sputter plasma has been believed to be essentially impossible. The addition of impurities, such as oxygen or water, facilitates this and allows the growth of…
A robust and efficient model for investigating the ultrafast dynamics of magnetic materials excited by laser pulses has been created, integrating dynamic Landau-Lifshitz-Bloch equations with a quantum thermostat and a two-temperature model.…
We obtain a fundamental instability of the magnetization-switching fronts in super-paramagnetic and ferromagnetic materials such as crystals of nanomagnets, ferromagnetic nanowires, and systems of quantum dots with large spin. We develop…
The synthesis of hyper-heavy elements is investigated under conditions simulating neutron star environment. The Constrained Molecular Dynamics (CoMD) approach is used to simulate low energy collisions of extremely n-rich nuclei. A new type…
Modelling the dynamics of complex physical systems is a fundamental challenge, particularly where nonlinear dynamics and multi-scale interactions render traditional simulations computationally prohibitive. Nuclear fusion plasma represents a…
Ultra-high temperature ceramics (UHTCs) are promising materials for use in next-generation aerospace structures but have primarily been used as monolithic materials or coatings due to processing limitations. Here, new functionality (e.g.,…
Here we use large-scale molecular dynamics (MD) simulations of the high-rate deformation of nanocrystalline tantalum to investigate the processes associated with plastic deformation for strains up to 100%. We use initial atomic…
Reduced dimensionality leads to emergent phenomena in quantum materials and there is a need for accelerated materials discovery of nanoscale quantum materials in reduced dimensions. Thermomechanical nanomolding is a rapid synthesis method…
Background: Exotic non-spherical nuclear pasta shapes are expected in nuclear matter at just below saturation density because of competition between short range nuclear attraction and long range Coulomb repulsion. Purpose: We explore the…
Nanomaterials possess a wide range of potential applications due to their novel properties compared to bulk matter, but these same properties may represent an unknown risk to health. Experimental safety testing cannot keep pace with the…