Related papers: MD-Predicted Phase diagrams for Pattern Formation …
When the surface of a nominally flat binary material is bombarded with a broad, normally-incident ion beam, disordered hexagonal arrays of nanodots can form. Shipman and Bradley have derived equations of motion that govern the coupled…
Many systems in nature and the synthetic world involve ordered arrangements of units on two-dimensional surfaces. We review here the fundamental role payed by both the topology of the underlying surface and its detailed curvature. Topology…
Heterogeneous catalysts consisting of supported metallic nanoparticles typically derive exceptional catalytic activity from their large proportion of under-coordinated surface sites which promote adsorption of reactant molecules.…
This work presents a fast and scalable approach for predicting surface stability and equilibrium crystal morphology in ionic materials using electrostatic analysis. The method constructs stoichiometric slab terminations and evaluates their…
High-dose irradiation of nanostructures consisting of multiple graphene shells, such as spherical 'carbon onions' (CO) or cylindrical multi-walled carbon nanotubes (MWNT), induces shell shrinkage by bond reconstruction around…
Nanocrystalline materials are promising candidates for future fusion reactor applications, due to their high density of grain boundaries which may serve as sinks for irradiation induced defects. We use molecular dynamics to simulate…
The phase offset between surface charge modulation and geometric undulations in a corrugated nanochannel provides a tunable mechanism for rectified, diode-like ion transport under purely pressure-driven conditions: reversing the applied…
Self-irradiation damages resulting from fission processes are common phenomena observed in nuclear fuel containing (NFC) materials. Numerous $\alpha$-decays lead to local structure transformations in NFC materials. The damages appearing due…
Neutron irradiation progressively changes the properties of zirconium alloys: they harden and their average c/a lattice parameter ratio decreases with fluence. The bombardment by neutrons produces point defects, which evolve into…
Two-level modeling for nanoscale pattern formation on silicon target by Ar$^+$ ion sputtering is presented. Phase diagram illustrating possible nanosize surface patterns is discussed. Scaling characteristics for the structure wavelength…
The change in materials properties subjected to irradiation by highly energetic particles strongly depends on the irradiation dose rate. Atomistic simulations can in principle be used to predict microstructural evolution where experimental…
Industrial use of ultrashort-pulse surface structuring would significantly increase by an effective utilization of the average laser powers available currently. However, the unexplained degradation of surfaces processed with numerous pulses…
Electron distributions produced by grazing impact of fast protons on Mg(0001), Cu(111), Ag(111) and Au(111) surfaces are investigated, focusing on the effects of the electronic band structure. The process is described within the…
To improve the constraints of symmetry energy at subsaturation density, measuring and accumulating more neutron skin data for neutron rich unstable nuclei is naturally required. Aiming to probe the neutron skin of unstable nuclei by using…
The effects of the nuclear structure uncertainties on the description of processes induced by coherent scattering of neutrinos on nuclei are investigated. A reference calculation based on a specific nuclear model is defined and the cross…
Recent computational and theoretical studies have shown that the deformation of colloidal suspensions under a steady shear is highly heterogeneous at the particle level and demonstrate a critical influence on the macroscopic deformation…
Laterally periodic nanostructures were investigated with grazing incidence small angle X-ray scattering. To support an improved reconstruction of nanostructured surface geometries, we investigated the origin of the contributions to the…
Models and observations suggest that ice-particle aggregation at and beyond the snowline dominates the earliest stages of planet-formation, which therefore is subject to many laboratory studies. However, the pressure-temperature gradients…
We demonstrate a practical way to perform decomposition of the elasto-plastic deformation directly from atomistic simulation snapshots. Through molecular dynamics simulations on a large single crystal, we elucidate the intricate process of…
A projectile impact onto a granular target produces an ejecta curtain with the heterogeneous material distribution. Understanding how the heterogeneous pattern forms is potentially important for understanding how crater rays form. Previous…