相关论文: Defects in ultrathin copper nanowires

Minimal atomic dark matter with its distinctive cooling mechanisms offers an instructive framework for understanding the potential impact of dark matter on small-scale structure formation and early cosmology. The model consists of two…

Vacancy formation energetics fundamentally govern the structural integrity and catalytic behavior of metal surfaces. Contrary to conventional coordination-dependent broken-bond models, we identify an anomalous thermodynamic inversion on…

In this work, we have examined how the multi-vacancy defects induced in the horizontal direction change the energetics and the electronic structure of semiconducting Single-Walled Carbon Nanotubes (SWCNTs). The electronic structure of…

The cores of neutron stars (NSs) near the maximum mass realize the most highly compressed matter in the universe where quark degrees of freedom may be liberated. Such a state of dense matter is hypothesized as quark matter (QM) and its…

In several experiments with ultracold trapped atoms, a narrow loss feature has been observed near an {\it atom-dimer resonance}, at which there is an Efimov trimer at the atom-dimer threshold. The conventional interpretation of these loss…

We perform density functional theory calculations on a series of armchair and zigzag nanotubes of diameters less than 1nm using the all-electron Full-Potential(-Linearised)-Augmented-Plane-Wave (FPLAPW) method. Emphasis is laid on the…

The magnetic properties of carbon nanotube encapsulated nickel nanowires (C.E. nanowires of diameter ~ 10 nm), and its comparison to other forms of Ni are carried out in this work. The saturation magnetization (M_s) and coercivity (H_c) for…

Energetics and quantized conductance in jellium modeled nanowires are investigated using the local density functional based shell correction method, extending our previous study of uniform in shape wires [C. Yannouleas and U. Landman, J.…

We present results of 2D axisymmetric core-collapse supernova simulations, employing the FORNAX code, of nine progenitor models spanning 12 to 25 M$_{\odot}$ and evolved over a 20,000-km grid. We find that four of the nine models explode…

Intermetallic compounds containing transition metals and group III-V metals tend to possess strong correlations and high catalytic activities, both of which can be enhanced via reduced dimensionality. Nanostructuring is an effective…

Use of amorphous silicon ($a$-Si) and hydrogenated amorphous silicon ($a$-Si:H) in photovoltaics has been limited by light-induced degradation (the Staebler-Wronski effect) and low hole mobilities, and voids have been implicated in both…

We determine the threshold mass for prompt (no bounce) black hole formation in equal-mass neutron star (NS) mergers using a new set of 227 numerical relativity simulations. We consider 23 phenomenological and microphysical finite…

It is well established that black holes reside in the central regions of virtually all types of known galaxies. Recent observational and numerical studies however challenge this picture, suggesting that intermediate-mass black holes in…

\emph{Ab initio} calculations of the structure and electronic density of states (DOS) of the perfect core-shell $Ag_{27}Cu_{7}$ nanoalloy attest to its $D_{5h}$ symmetry and confirm that it has only 6 non-equivalent (2 $Cu$ and 4 $Ag$)…

We apply perturbative effective mass theory as a broadly applicable theoretical model for quantum confinement (QC) in all Si and Ge nanostructures including quantum wells (QWs), wires (Q-wires) and dots (QDs). Within the limits of strong,…

This paper the utilizes atomistic-continuum mechanics (ACM) to investigate the mechanical properties of single-walled carbon nanotubes (SWCNTs). By establishing a linkage between structural mechanics and molecular mechanics, not only the…

The Quark--Meson--Coupling (QMC) model self-consistently relates the dynamics of the internal quark structure of a hadron to the relativistic mean fields arising in nuclear matter. It offers a natural explanation to some open questions in…

An atomistic effective Hamiltonian technique is used to investigate the finite-temperature energy storage properties of a ferroelectric nanocomposite consisting of an array of BaTiO$_{3}$ nanowires embedded in a SrTiO$_{3}$ matrix, for…

In this work we have employed density-functional theory with hybrid functionals to investigate the atomic and electronic structure of bare and hydrogenated Mn doped ZnO nanowires with small diameter. We determine changes in magnetic and…

Dynamical symmetry breaking can happen through a Higgs mechanism but also spontaneously within a strongly-enough coupled theory. We treat a field-theoretical quark model of QCD based on a linear+Coulomb Cornell potential (to account for the…