相关论文: Reverse Hall-Petch effect in ultra nanocrystalline…
Rare-earth doped crystals have numerous applications ranging from frequency metrology to quantum information processing. To fully benefit from their exceptional coherence properties, the effect of mechanical strain on the energy levels of…
We report on a nuclear magnetic resonance (NMR) study of ultrananocrystalline diamond (UNCD) materials produced by detonation technique. Analysis of the 13C and 1H NMR spectra, spin-spin and spin-lattice relaxation times in purified UNCD…
We implement an adaptive mesh algorithm for calculating the space and time dependence of the atomic density field during materials processing. Our numerical approach uses the systematic renormalization-group formulation of the phase field…
We used molecular dynamics simulations based on a potential model in analogy to the Tight Binding scheme in the Second Moment Approximation to simulate the effects of aluminum icosahedral grains (dispersoids) on the structure and the…
We theorize the spin Hall effect of light (SHEL) on a nano-metal film and demonstrate it experimentally via weak measurements. A general propagation model to describe the relationship between the spin-orbit coupling and the thickness of the…
Nobel metals that are deposited on a polymer surface exhibit surface diffusion and diffusion into the bulk. At the same time the metal atoms tend to form clusters because their cohesive energy is about two orders of magnitude higher than…
The emergent properties of materials are defined by the symmetries of their underlying atomic, spin and charge order. The explorations of symmetry breaking effects are therefore usually limited by the intrinsic properties of known, stable…
Atomic structures of nanomaterials are inherently dynamic, continuously reshaped through interactions with chemical species and external stimuli. Such dynamics are further amplified as the size and dimensionality of nanomaterials are…
We determine the structure and melting behavior of supported metallic clusters using an ab initio density-functional-based treatment of intracluster interactions and an approximate treatment of the surface as an idealized smooth plane…
The change in refractive index around plasmonic nanoparticles upon binding to biomolecules is routinely used in localized surface plasmon resonance (LSPR) based biosensors and in bio-sensing platforms. In this study, the plasmon sensitivity…
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…
Recent Raman data on diamond and crystalline Si nanopowders are analyzed with the use of a microscopic theory of Raman scattering in ensembles of disordered nonpolar nanocrystals. The large width of the Raman peak in nanoparticles as…
Studies of moire systems have elucidated the exquisite effect of quantum geometry on the electronic bands and their properties, leading to the discovery of new correlated phases. However, most experimental studies have been confined to a…
A hybrid Monte Carlo (HMC) approach is employed to quantify the influence of inelastic deformation on the microstructural evolution of polycrystalline materials. This approach couples a time explicit material point method (MPM) for…
In recent years, various forms of nanocrystalline diamond (NCD) have emerged as an attractive group of diamond/graphite mixed-phase materials for a range of applications from electron emission sources to electrodes for neural interfacing.…
We perform molecular dynamics simulations of an idealized polymer melt surrounding a nanoscopic filler particle to probe the effects of a filler on the local melt structure and dynamics. We show that the glass transition temperature $T_g$…
We model shell formation of core-shell noble metal nanoparticles. A recently developed kinetic Monte Carlo approach is utilized to reproduce growth morphologies realized in recent experiments on core-shell nanoparticle synthesis, which…
Progress in the emerging fields of atomic and close-to-atomic scale manufacturing is underpinned by enhanced precision and optimization of laser-controlled nanostructuring. Understanding thin films' crystallographic orientations and…
The study of scattering and extinction properties of possible nanodiamond grains in the ISM are reported. Calculations using Discrete Dipole Approximation (DDA) for varying ellipsoidal shapes and sizes from 2.5 to $10 nm$ are considered.…
Grain growth in nanocrystalline Al was studied by means of molecular dynamics simulations. The novelty of this study results from the utilization of an algorithm to resolve per-grain kinetics and orientation change from molecular dynamics…