Advances and applications in the FIREBALL ab initio tight‐binding molecular‐dynamics formalism
One of the outstanding advancements in electronic‐structure density‐functional methods is
the Sankey–Niklewski (SN) approach [Sankey and Niklewski, Phys. Rev. B 40, 3979 (1989)]; …
the Sankey–Niklewski (SN) approach [Sankey and Niklewski, Phys. Rev. B 40, 3979 (1989)]; …
STM-theory: Image potential, chemistry and surface relaxation
A critical review of the different methods used nowadays for calculating tunneling currents
and STM-images is presented with a special emphasis on the role played by the interface …
and STM-images is presented with a special emphasis on the role played by the interface …
Wavelet packet‐autocorrelation function method for traffic flow pattern analysis
Accurate and timely forecasting of traffic flow is of paramount importance for effective
management of traffic congestion in intelligent transportation systems. A detailed …
management of traffic congestion in intelligent transportation systems. A detailed …
Molecular dynamics study of the mechanical behavior of nickel nanowire: Strain rate effects
YH Wen, ZZ Zhu, RZ Zhu - Computational Materials Science, 2008 - Elsevier
We present the analysis of uniaxial deformation of nickel nanowires using molecular
dynamics simulations, and address the strain rate effects on mechanical responses and …
dynamics simulations, and address the strain rate effects on mechanical responses and …
Structure and conductance histogram of atomic-sized Au contacts
Many experiments have shown that the conductance histograms of metallic atomic-sized
contacts exhibit a peak structure, which is characteristic of the corresponding material. The …
contacts exhibit a peak structure, which is characteristic of the corresponding material. The …
A study of the mechanical properties of nanowires using nanoindentation
A nanoindenter XP with scanning capabilities was used to perform nanoindentations on
GaN and ZnO nanowires with radii in the range of 20–50 nm, positioned on a silicon …
GaN and ZnO nanowires with radii in the range of 20–50 nm, positioned on a silicon …
Electrically Controlled Bimetallic Junctions for Atomic-Scale Electronics
Forming atomic-scale contacts with attractive geometries and material compositions is a
long-term goal of nanotechnology. Here, we show that a rich family of bimetallic atomic …
long-term goal of nanotechnology. Here, we show that a rich family of bimetallic atomic …
Correlation analysis of atomic and single-molecule junction conductance
P Makk, D Tomaszewski, J Martinek, Z Balogh… - ACS …, 2012 - ACS Publications
The break-junction technique is widely used to measure electronic properties of nanoscale
junctions including metal point-contacts and single-molecule junctions. In these …
junctions including metal point-contacts and single-molecule junctions. In these …
Cluster-based density-functional approach to quantum transport through molecular and atomic contacts
F Pauly, JK Viljas, U Huniar, M Häfner… - New Journal of …, 2008 - iopscience.iop.org
We present a cluster-based approach to model charge transport through molecular and
atomic contacts. The electronic structure of the contacts is determined in the framework of …
atomic contacts. The electronic structure of the contacts is determined in the framework of …
Theoretical analysis of the conductance histograms and structural properties of Ag, Pt, and Ni nanocontacts
Conductance histograms are a valuable tool to study the intrinsic conduction properties of
metallic atomic-sized contacts. These histograms show a peak structure, which is …
metallic atomic-sized contacts. These histograms show a peak structure, which is …