相关论文: Mechanical properties of Pt monatomic chains
The paper develops the stiffness relationship between the movements and forces among a system of discrete interacting grains. The approach is similar to that used in structural analysis, but the stiffness matrix of granular material is…
The dynamics of a single chain tethered to an interface and in contact with a cross-linked network is examined numerically. When the network is put in contact with the tethered chain, the chain moves with dynamics that are highly…
We have examined theoretically the spontaneous thinning process of tip-suspended nanowires, and subsequently studied the structure and stability of the monatomic gold wires recently observed by Transmission Electron Microscopy (TEM). The…
Recently, a new two-dimensional carbon allotrope called pentagraphene (PG) was proposed. PG exhibits mechanical and electronic interesting properties, including typical band gap values of semiconducting materials. PG has a Cairo-tiling-like…
The results obtained from molecular dynamics simulations of the friction at an interface between polymer melts and weakly attractive crystalline surfaces are reported. We consider a coarse-grained bead-spring model of linear chains with…
In this paper we present a modeling approach to bridge the atomistic with macroscopic scales in crystalline materials. The methodology combines identification and modeling of the controlling unit processes at microscopic level with the…
Pt is known to show spontaneous formation of chains of metal atoms upon breaking a metallic contact. From model calculations these have been predicted to be spin polarized, which is reasonable in view of the Stoner enhanced susceptibility…
A methodology for the statistical mechanical analysis of polymeric chains under tension introduced previously is extended to include torque. The response of individual bonds between monomers or of entire groups of monomers to a combination…
In this paper we investigated structural, electronic and magnetic properties of 3d (light) transition metal (TM) atomic chains using first-principles pseudopotential plane wave calculations. Periodic linear, dimerized linear and planar…
Pinning phenomena in an incommensurate two-chain model of friction are studied numerically. The pinning effect due to the breaking of analyticity exists in the present model. The pinning behavior is, however, quite different from that for…
The mobility of polymer chains in perfect polyethylene (PE) crystal was calculated as a function of temperature and chain length through Molecular dynamics (MD) in united atom approximation. The results demonstrate that the chain mobility…
The stability of molecular junctions under transport is of the utmost importance for the field of molecular electronics. This question is often addressed within the paradigm of current-induced heating of nuclear degrees of freedom or…
We consider the rupture dynamics of a homopolymer chain pulled at one end at a constant loading rate r. Compared to single bond breaking, the existence of the chain introduces two new aspects into rupture dynamics: the non-Markovian aspect…
Dynamic fracture experiments were performed in PMMA over a wide range of velocities and reveal that the fracture energy exhibits an abrupt 3-folds increase from its value at crack initiation at a well-defined critical velocity, below the…
Simulations are used to examine the microscopic origins of strain hardening in polymer glasses. While stress-strain curves for a wide range of temperature can be fit to the functional form predicted by entropic network models, many other…
The signals received from the optical receivers like as SiPM and PMT due to the collision of energetic particles with the scintillators attached to these optical receivers, are weak and fast. To measure the number of signals as well as…
Room temperature conductance-elongation curves of gold atomic wires are measured using a Scanning Tunnelling Microscope Break Junction technique. Landauer's conductance plateaus are individually identified and statistically analysed. Both…
Despite its fundamental importance for nano physics and chemistry and potential device applications, the relationship between atomic structure and electronic transport in molecular nanostructures is not well understood. Thus the…
Using first-principles calculations, the elastic constants, thermodynamic property and structural phase transition of rhenium diboride under pressure are investigated by means of the pseudopotential plane-waves method, as well as the effect…
Previously, the authors reported direct evidence of channel saturation and conductance quantization in atomic-sized gold constrictions through mechanical perturbation studies, and also showed that peaks in conductance histograms are…