Related papers: A general potential for molecular dynamics of ion-…
The response of a two-dimensional plasma crystal to an externally imposed initial perturbation has been explored using molecular dynamics (MD) simulations. A two-dimensional (2D) monolayer of micron-sized charged particles (dust) is formed…
Ultra-relativistic oxygen-oxygen (OO) collisions are a promising arena in which to probe rare, large-angle, high momentum-transfer $2\rightarrow2$ Moli\`ere scatterings between energetic jet partons and quasiparticles in quark-gluon plasma…
We present energy- and charge-resolved measurements of low and hyperthermal energy Na+ ions scattered from a Ag(001) surface. With the primary ion beam oriented along the [110] crystal direction, distinct peaks in the energy distributions…
We propose a computationally lean, two-stage approach that reliably predicts self-assembly behavior of complex charged molecules on a metallic surfaces under electrochemical conditions. Stage one uses ab initio simulations to provide…
Plasma-surface interactions during AlN thin film sputter deposition could be studied by means of reactive molecular dynamics (RMD) methods. This requires an interaction potential that describes all species as well as wall interactions…
The interaction of energetic ions with the electronic and ionic system of target materials is an interesting but challenging multi-scale problem and understanding of the early stages after impact of heavy, initially charged ions is…
We study the potential of mean force (PMF) between atomistic silica and gold nanoparticles in the vacuum by using molecular dynamics simulations. Such an investigation is devised in order to fully characterize the effective interactions…
We present molecular dynamics simulations on the slow dynamics of a mixture of big and small soft-spheres with a large size disparity. Dynamics are investigated in a broad range of temperature and mixture composition. As a consequence of…
A theory of matter wave interference is developed in which resonant optical fields interact with two-level atoms. When recoil effects are included, spatial modulation of the atomic density can occur for times that are greater than or…
Theoretical continuum models that describe the formation of patterns on surfaces of targets undergoing ion-beam sputtering, are based on Sigmund's formula, which describes the spatial distribution of the energy deposited by the ion. For…
Hydrogenated diamond has been regarded as a promising material in electronic device applications, especially in field-effect transistors (FETs). However, the quality of diamond hydrogenation has not yet been established, nor has the…
Recent measurements of the scattering of He and Ne atoms at Rh(110) suggest that these two rare-gas atoms measure a qualitatively different surface corrugation: While Ne atom scattering seemingly reflects the electron-density undulation of…
The theory of surface electromagnetic waves (SEMWs) propagating at optical frequencies along the interface of an isotropic noble metal [e.g., gold (Au)] and a uniaxial crystal [e.g., Rutile (TiO$_2$)] is revisited with the Drude-Lorentz…
Dopants can tune the performance of MoS2 in various applications, but use of molecular dynamics simulations for doped MoS2 materials discovery is limited by the lack of multi-dopant interatomic potentials. Universal machine learning…
Optical manipulation of Mie-resonant dielectric nanoparticles is strongly influenced by their enhanced scattering and multipolar response, which fundamentally modifiesthe balance of optical forces. In this work, we study the optical forces…
Si and its oxides have been extensively explored in theoretical research due to their technological and industrial importance. Simultaneously describing interatomic interactions within both Si and SiO$_2$ without the use of \textit{ab…
Physical adsorption of atoms, molecules and clusters on surface is known. It is linked to many phenomena in physics, chemistry, and biology. Usually the studies of adsorption are limited to the particle sizes of up to ~10^2-10^3 atoms.…
Contacts between particles in dense, sheared suspensions are believed to underpin much of their rheology. Roughness and adhesion are known to constrain the relative motion of particles, and thus globally affect the shear response, but an…
Accurate estimation of surface wettability for various degrees of hydrophobicity becomes increasingly important in the molecular design of membrane. In this paper, we develop simple yet physically realistic model for estimating contact…
The coagulation of dust aggregates occurs in various astrophysical environments. Each one is characterized by different conditions that influence the growth, e.g. relative velocities, composition, and size of the smallest constituents…