Related papers: Structural transformations in Cu, Ag, and Au metal…
Nanocrystalline Cu-3 at.% Zr powders with ~20 nm average grain size were created with mechanical alloying and their thermal stability was studied from 550-950 {\deg}C. Annealing drove Zr segregation to the grain boundaries, which led to the…
The freezing behavior of gold nanoclusters was studied by employing molecular dynamics simulations based on a semi-empirical embedded-atom method. Investigations of the gold nanoclusters revealed that, just after freezing, ordered…
We demonstrate a new approach for forming hybrid metal/carbonaceous nanostructures in a controlled direct laser planting process. Au-Ag nanoclusters in amorphous or crystalline carbonaceous matrices are formed with different morphology:…
Silver nanocrystals have been prepared by reacting silver nitrate with ascorbic acid in aqueous solution containing a low concentration of a commercial polynaphtalene sulphonate polymer (Daxad 19). Various crystalline morphologies have been…
Ab initio molecular dynamics is used to study deformations of sodium clusters at temperatures $500\cdots 1100$ K. Open-shell Na$_{14}$ cluster has two shape isomers, prolate and oblate, in the liquid state. The deformation is stabilized by…
Asymmetric metal-dielectric nanostructures are demonstrated superior optical properties arise from the combination of strong enhancement of their near fields and controllable scattering characteristics which originate from plasmonic and…
High-pressure powder x-ray diffraction experiments have revealed that sodium and gold react at room temperature and form new Na-Au intermetallic compounds under high pressure. We have identified four intermetallic phases up to 60 GPa. The…
Nanostructured proton-conducting ceramics (PCCs) have attracted considerable interest as moderate-temperature proton conductors. Structure dynamics during proton conduction, particularly at grain boundaries, are crucial for stability and…
The amorphous aluminium silicate (Al2O3)2(SiO2) [AS2] is investigated by means of large scale molecular dynamics computer simulations. We consider fully equilibrated melts in the temperature range 6100K >= T >= 2300K as well as glass…
The morphology transition from the thermodynamically favorable to the unfavorable phase during growth of free-standing copper nanoclusters is studied by molecular dynamics simulations. We give a detailed description of the kinetics and…
Coupled-cluster theory with single, double, and perturbative triple excitations (CCSD(T)) -- often considered the "gold standard" of main-group quantum chemistry -- is inapplicable to three-dimensional metals due to an infrared divergence,…
The mechanical properties and deformation mechanisms of Cu/Nb nanoscale metallic multilayers (NMMs) manufactured by accumulative roll bonding (ARB) are studied at 25C and 400C. Cu/Nb NMMs with individual layer thicknesses between 7 and 63…
Recent observations of superconducting like transition at 286 K in Ag and Ag nanostructures by Thapa et al. (arxiv: 1807.08572) have rekindled the hope for room temperature superconductivity under ambient conditions. We also investigated…
The exact numerical diagonalization and thermodynamics in an ensemble of small Hubbard clusters in the ground state and finite temperatures reveal intriguing insights into the nascent charge and spin pairings, Bose condensation and…
Initial powder mixtures of Cu, Fe and Co are exposed to severe plastic deformation by high-pressure torsion to prepare solid solutions. A broad range of compositions is investigated, whereas this study aims at the synthesis of soft magnetic…
A number of applications in nanoplasmonics utilize noble metals, gold (Au) and silver (Ag), as the materials of choice. However, these materials suffer from problems of poor thermal and chemical stability accompanied by significant…
PCPDTBT nanostructures have been synthesized via template-assisted method and polymer-melt technique. The morphological, optical and structural properties of the PCPDTBT have been investigated. Melting polymer was used as a driving force to…
We investigate the localization and clustering features in $^{20}$Ne ($N=Z$) and neutron-rich $^{32}$Ne nuclei at zero and finite temperatures. The finite temperature Hartree-Bogoliubov theory is used with the relativistic density-dependent…
A precision measurement of the photoionization of pure sodium and potassium nanoparticles isolated in a beam enabled an accurate determination of their work functions as a function of temperature. In addition to resolving and quantifying…
Charge density wave (CDW) ordering in NbSe3 and the structurally related quasi one-dimensional compounds is reconsidered. Since the modulated ground state is characterized by unstable nano-domains, the structural information obtained from…