相关论文: Asperity contacts at the nanoscale: comparison of …
The structural evolution and dynamics of silver nanodrops Ag${}_{2896}$ (4.4 nm in diameter) during rapid cooling conditions has been studied by means of molecular dynamics simulations and electronic density of state calculations. The…
Nanoprecipitates form during nucleation of multiphase equilibria in phase segregating multicomponent systems. In spite of their ubiquity, their size-dependent physical chemistry, in particular at the boundary between phases with…
The nuclear level densities of $^{194-196}$Pt and $^{197,198}$Au below the neutron separation energy have been measured using transfer and scattering reactions. All the level density distributions follow the constant-temperature…
Plasmonic near-field transducers (NFTs) play a key role in administering nanoscale heating for a number of applications ranging from medical devices to next generation data processing technology. We present a novel multi-scale approach,…
We consider a weakly interacting finite wire with short and long range interactions. The long range interactions enhance the $4k_{F}$ scattering and renormalize the wire to a strongly interacting limit. For large screening lengths, the…
We perform nanoindentation simulations for both the prototypical face-centered cubic metal copper and the body-centered cubic metal tungsten with a new adaptive-precision description of interaction potentials including different accuracy…
The optical transmission spectra of a series of micro-ring resonators (MRRs) are studied following the implantation of gold (Au) ions and subsequent thermal annealing, at temperatures between 500 {\deg}C and 700 {\deg}C. Whilst we find that…
Interactions between rhenium impurities in silicon are investigated by means of the density functional theory (DFT) and the DFT+U scheme. All couplings between impurities are ferromagnetic except the Re-Re dimers which in the DFT method are…
Ultra-relativistic nucleus-nucleus collisions create a state of matter of high temperature and small baryo-chemical potential, which is similar to the thermodynamical conditions in the primordial universe. Recent analyses of Au+Au…
Entropy production and an effective viscosity in central Au+Au collisions are estimated in a wide range of incident energies 3.3 GeV $\le \sqrt{s_{NN}}\le$ 39 GeV. The simulations are performed within a three-fluid model employing three…
When two solids start rubbing together, frictional sliding initiates in the wake of slip fronts propagating along their surfaces in contact. This macroscopic rupture dynamics can be successfully mapped on the elastodynamics of a moving…
Prompted by the recent report on the evidence for superconductivity at ambient temperature and pressure in nanostructures of silver particles embedded into a gold matrix [arXiv:1807.08572], we have exploited first principles materials…
We consider the conductance of a quantum tube connected to a metallic contact. The number of angular momentum states that the tube can support depends on the strength of the radial confinement. We calculate the transmission coefficients…
Localized defects, unavoidable in real solids, may be simulated in (generically defect-free) cold-atom systems, e.g., via modifications of the optical lattice. We study the Hubbard model on a square lattice with single impurities, pairs of…
Controlling the magnetic ground states at the nanoscale is a long-standing basic research problem and an important issue in magnetic storage technologies. Here, we designed a nanostructured material that exhibits very unusual hysteresis…
The experimental critical temperature of systems of nanoparticles superconducting (Pb) and normal (Ag, Cu and Al) with a random distribution and sizes less than their respective coherence lengths, is governed by proximity effect as the…
Nanoparticle sintering remains a critical challenge in heterogeneous catalysis. In this work, we present a unified deep potential (DP) model for Cu nanoparticles on three Al$_2$O$_3$ surfaces ($\gamma$-Al$_2$O$_3$(100),…
New interatomic potentials describing defects, plasticity and high temperature phase transitions for Ti are presented. Fitting the martensitic hcp-bcc phase transformation temperature requires an efficient and accurate method to determine…
Density-functional-theory-based electronic structure calculations are made to consider the novel electronic states of Ru-pnictides RuP and RuAs where the intriguing phase transitions and superconductivity under doping of Rh have been…
We study the distribution of interfacial separations P(u) at the contact region between two elastic solids with randomly rough surfaces. An analytical expression is derived for P(u) using Persson's theory of contact mechanics, and is…