相关论文: Robust incorporation in multi-donor patches create…

The determination of potentials of mean force for solute insertion in a membrane by means of all-atom molecular dynamics simulations is often hampered by sampling issues. A multiscale approach to conformational sampling was recently…

Process-induced defects are the leading cause of discrepancies between as-designed and as-manufactured additive manufacturing (AM) product behavior. Especially for metal lattices, the variations in the printed geometry cannot be neglected.…

Molecular Dynamics (MD) simulations are a powerful tool for studying matter at the atomic scale. However, to simulate solids, an initial atomic structure is crucial for the successful execution of MD simulations, but can be difficult to…

The influence of the collimating conditions of the incident beam on diffraction patterns produced by grazing scattering of fast atoms off crystal surfaces is studied within a semi-quantum approach, named Surface Initial Value Representation…

Continuous ultrasonic atomization in a closed chamber is expected to generate a mist with an equilibrium droplet concentration and size distribution. Such a mist of microdroplets with controllable mist density has been used for Aerosol Jet…

We perform experiments and discrete element simulations on the dosing of cohesive granular materials in a simplified geometry. The setup is a simplified canister box where the powder is dosed out of the box through the action of a…

The force exerted on a material by an incident beam of light is dependent upon the material's velocity in the laboratory frame of reference. This velocity dependence is known to be diffcult to measure, as it is proportional to the incident…

We investigate the impact between the gas stream from the inner Lagrangian point and the accretion disk in interacting binaries, using three dimensional Smooth Particle Hydrodynamics simulations. We find that a significant fraction of the…

We investigate with computer simulations the critical radius of pores in a lipid bilayer membrane. Ilton et al. (2016) recently showed that nucleated pores in a homopolymer film can increase or decrease in size, depending on whether they…

Molecular dynamics simulations are often used to study sputtering and thin film growth. Compressive stresses in these thin films are generally assumed to be caused by a combination of forward sputtered (peened) built-in particles and…

O-C shell mergers in massive stars are a site for producing the p nuclei by the $\gamma$ process, but 1D stellar models rely on mixing length theory, which does not match the radial velocity profiles of 3D hydrodynamic simulations. We…

Semiconductor fabrication is a mainstay of modern civilization, enabling the myriad applications and technologies that underpin everyday life. However, while sub-10 nanometer devices are already entering the mainstream, the end of the…

We report an atomically-precise integration of individual nitrogen (N) dopant as an in-plane artificial nucleus in a graphene device by atomic implantation to probe its gate-tunable quantum states and correlation effects. The N dopant…

There is an increasing interest in the fabrication of cement-based materials via additive manufacturing (AM) techniques. However, the processing-induced heterogeneities and interfaces represent a major challenge. The role of processing in…

In polycrystalline materials, grain boundaries are sites of enhanced atomic motion, but the complexity of the atomic structures within a grain boundary network makes it difficult to link the structure and atomic dynamics. Here we use a…

The Hubbard model is one of the primary models for understanding the essential many-body physics in condensed matter systems such as Mott insulators and cuprate high-Tc superconductors. Recent advances in atomically precise fabrication in…

Monolayer \delta-doped structures in silicon have attracted renewed interest with their recent incorporation into atomic-scale device fabrication strategies as source and drain electrodes and in-plane gates. Modeling the physics of…

Molecular-dynamics simulation can give atomistic information on the processes occurring in nanoindentation experiments. In particular, the nucleation of dislocation loops, their growth, interaction and motion can be studied. We investigate…

Droplet impact behavior has attracted much attention recently due to its academic significance and diverse industrial applications. This study employs the lattice Boltzmann method to simulate the impact of a droplet on a hydrophobic plate…

With a novel 3D discrete-element method specially developed with adhesive contact mechanics, random loose packings of uniform spherical micron-sized particles are fully investigated. The results show that large velocity, large size or weak…