相关论文: Gold slows down the growth of helium bubble in iro…
Our first-principles density functional theory calculations suggest that the rare earth element, Ce, has a stronger attraction (-1.31eV) to He than He-He (-1.18eV) in bcc Fe. Consequently, the mobile He atoms could be pinned to Ce, and…
High-resolution mass spectra of helium droplets doped with gold and ionized by electrons reveal He$_n$Au$^+$ cluster ions. Additional doping with heavy noble gases results in NenAu+, Ar$_n$Au$^+$, Kr$_n$Au$^+$, and Xe$_n$Au$^+$ cluster…
The addition of alloying elements plays an essential role in helium (He) behaviours produced by transmutation in metal alloys. Effects of solutes (Ni, Cr, Ti, P, Si, C) on the behaviours of He and He-He pair in face-centred cube (fcc) iron…
The growth of up to 10 monolayer-thick Fe films on a Au(001) surface was investigated during deposition at room temperature and during annealing using low-energy electron diffraction and x-ray photoemission spectroscopy as well as locally…
In recent years, nanostructures with hexagonal polytypes of gold have been synthesised, opening new possibilities in nanoscience and technology. As bulk gold crystallizes in the \textit{fcc} phase, surface effects can play an important role…
The Earth's crust is known to be depleted of gold, among other slightly heavy noble metals transported by magma from the Earth's mantle to the crust. The bulk silicate Earth (BSE) model also suggests significant depletion of Au in the…
When metal surfaces are exposed to hydrogen ion irradiation, the light ions are expected to penetrate deep into the material and dissolve in the matrix. However, these atoms are seen to cause significant modification of surfaces, indicating…
We report an unexpectedly strong and complex chemical bonding of rare-gas atoms to neutral gold clusters. The bonding features are consistently reproduced at different levels of approximation within density-functional theory and beyond:…
In this work, we combine electron microscopy measurements of the surface compositions in Cu-Au nanoparticles and atomistic simulations to investigate the effect of gold segregation. While this mechanism has been extensively investigated…
Surface bubbling and helium retention of pure aluminum and a solid solution of aluminum-gallium(Ga) alloy exposed to low-energy He plasma has been investigated with the fluence of 1.8E24 He/m2 at room temperature . Surface morphology…
Helium ions implanted into metals can evolve into ordered bubbles isomorphic to the host lattice. Long-range elastic interaction is generally believed to drive the formation of bubble superlattice, but little is known about the…
We report the chemical synthesis of Fe-core/Au-shell nanoparticles by a reverse micelle method, and the investigation of their growth mechanisms and oxidation-resistant characteristics. The core-shell structure and the presence of the Fe &…
Using a series of three-dimensional, hydrodynamic simulations on an adaptive grid, we have performed a systematic study on the effect of bubble-induced motions on metallicity profiles in clusters of galaxies. In particular, we have studied…
Chemical inertness is the key property of helium determining its solubility, distribution and accumulation kinetics in metals. Against all expectations, our ab initio calculations show a substantial chemical bonding between He and Be atoms…
Hartree-Fock and coupled-cluster calculations have been performed for cubic AgCl and for AuCl having a cubic or the observed structure with space group I4_1/amd. Cohesive energies and lattice constants are in excellent agreement with…
The unusual structural stability of gold nanowires at large separations of gold atoms is explained from first-principles quantum mechanical calculations. We show that undetected light atoms, in particular hydrogen, stabilize the…
In this paper, we have tried to find out the origin of magnetism in Gold nanoparticles (Au- NPs). We observe that upon incorporating Gold nanoparticles (Au-NPs) in Fe3O4 nanoparticle medium the net magnetisation increases compared to the…
A number of transition metal hydrides with close-packed metal sublattices of fcc or hcp structures with hydrogen in octahedral interstitial positions were obtained by the high-pressure hydrogen technique described by Ponyatovskii et al,…
By combining atomistic simulations with a detailed analysis of individual atomic hops, we show that the diffusion of carbon in a binary Fe-C glass exhibits strong (anti-)correlations and is largely determined by the local environment.…
We have determined beryllium abundances for 25 metal-poor stars based on the high resolution and high signal-to-noise ratio spectra from the VLT/UVES database. Our results confirm that Be abundances increase with Fe, supporting the global…