Related papers: Impurity effects on the melting of Ni clusters
Local magnetic properties around a nonmagnetic impurity are investigated in high-Tc cuprate superconductors. We consider a model two-dimensional d-wave superconductor with strong antiferromagnetic (AF) spin fluctuations and calculate the…
A computational study of the doping of alkali halide crystals (AX: A = Na, K; X = Cl, Br) by ns2 cations (Ga+, In+ and Tl+) is presented. Active clusters of increasing size (from 33 to 177 ions) are considered in order to deal with the…
The bonding properties of tilt boundary in poly-silicon and the effect of interstitial impurities are investigated by first-principles. In order to obtain thorough information on the nature of chemical bondings in these solid systems, an…
New plans should be used to improve quality and to increase productivity and durability of conventional pavements. In this investigation, it has been attempted to promote technical characteristics of bitumen using carbon nanotubes as an…
We comprehend the role of imperfections in materials consisting of interacting particles, arising from different origins on their universal features. Specifically, we report the static and dynamic responses in a cluster of Coulomb…
We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes with different degrees of deformation at 300 K. We found that the number of hydrogen bonds that water forms depends on nanotube topology,…
When a particle is placed in a material with a lower bulk melting temperature, intermolecular forces can lead to the existence of a premelted liquid film of the lower melting temperature material. Despite the system being below the melting…
We analyze the effect of impurity on the work output and efficiency of quantum Otto and quantum Carnot heat cycles, modeled as a single quantum particle in an infinite square well (ISW) potential, which is the working substance. We solve…
Metal catalysts supporting the growth of Single Wall Carbon Nanotubes display different carbon solubilities and chemical reactivities. In order to specifically assess the role of carbon solubility, we take advantage of the physical…
We consider electronic spectra of graphene nanotubes and their perturbation by impurity atoms absorbed at different positions on nanotube surfaces, within the framework of Anderson hybrid model. A special attention is given to the cases…
We investigate the thermal conductivity of four types of deformed carbon nanotubes by using the nonequilibrium molecular dynamics method. It is reported that various deformations have different influence on the thermal properties of carbon…
We have measured systematic repetitions of avoided crossings in low temperature three-terminal transport through a carbon nanotube with encapsulated C60 molecules. We show that this is a general effect of the hybridization of a host quantum…
In order to understand the first stages of the nucleation of carbon nanotubes in catalytic processes, we present a tight-binding Monte Carlo study of the stability and cohesive mechanisms of different carbon structures deposited on nickel…
The specific heat jump at a normal-superconducting phase transition in an anisotropic superconductor with nonmagnetic impurities is calculated within a weak-coupling mean field approximation. It is shown that its dependence on the impurity…
We consider a linearly-dispersing quantum impurity interacting through a contact density-density term with a one-dimensional (1D) superfluid described by the Tomonaga-Luttinger liquid theory. Using a linked cluster expansion we characterize…
We study the dependence of thermal conductivity of single walled nanotubes (SWNT) on chirality and isotope impurity by nonequilibrium molecular dynamics method with accurate potentials. It is found that, contrary to electronic conductivity,…
We present a theory of combined nonmagnetic and magnetic impurity scattering in anisotropic superconductors accounting for the momentum-dependent impurity potential. Applying the model to the d-wave superconducting state, we obtain a…
The influence of (non-magnetic and magnetic) impurities on the transition temperature of a d-wave superconductor is studied anew within the framework of BCS theory. Pairing interaction decreases linearly with the impurity concentration.…
We show, using ab initio total energy density functional theory, that the so-called Wigner defects, an interstitial carbon atom right besides a vacancy, which are present in irradiated graphite can also exist in bundles of carbon nanotubes.…
We proposed a new way, adding intertube atoms, to enhance interfacial thermal conductance (ITC) between SiC-carbon nanotube (CNT) array structure. Non-equilibrium molecular dynamics method was used to study the ITC. The results show that…