相关论文: Electrodynamics - molecular dynamics simulations o…
Molecular dynamics simulations on tensile deformation of initially defect free single crystal copper nanowire oriented in <001>{100} has been carried out at 10 K under adiabatic and isothermal loading conditions. The tensile behaviour was…
Magnetic nanoparticles play a crucial role in different fields such as biomedicine or information and quantum technologies. These applications require nanoparticles with a single, well-defined energy minimum, free of metastable states, and…
The investigation of the deformation behaviour of intermetallic phases is mostly limited to high temperatures due to their low ductility at ambient temperature. Therefore, within this study, nanoindentation experiments on the Al$_{2}$Cu…
The simulations of the solidification of ternary Al-Cu-Ni alloys by means of a general multi-phase-field model for an arbitrary number of phases reveal that the real microstructure can be generated by coupling the real thermodynamic…
Solid cylindrical nanowires are vulnerable to a Rayleigh-Plateau-type morphological instability. The instability results in a wire breakup, followed by formation of a chain array of spherical nanoparticles. In this paper, a base model of a…
The mechanical properties of Cu/Nb metallic nanolaminates with different layer thickness (7, 16, 34 and 63 nm) were studied by means of micropillar compression tests from room temperature to 400 C. Both strain-rate jump and constant strain…
We investigate quantum transport in aligned carbon nanotube (CNT) fibers fabricated via solution spinning, focusing on the roles of structural dimensionality and quantum interference effects. The fibers exhibit metallic behavior at high…
Periodic field patterns of atoms and their charges/spins/orbits emerge in crystals, forming novel states of matter called emergent crystals (ECs). In recent years, they are observed in diverse systems such as skyrmion crystals in…
We report measurements of the non-equilibrium electron energy distribution in carbon nanotubes. Using tunneling spectroscopy via a superconducting probe, we study the shape of the local electron distribution functions, and hence energy…
Molecular dynamics simulation is employed to understand the thermodynamic behavior of cuboctahedron (cub) and icosahedron (ico) nanoparticles with 2-20 number of full shells. The original embedded atom method (EAM) was compared to the more…
We have theoretically investigated the electromechanical properties of a freely suspended carbon nanotube that is connected to a constant-current source and subjected to an external magnetic field. We show that self-excitation of mechanical…
We consider a nanoelectromechanical system composed of a carbon nanotube suspended between two normal leads and coupled to a superconducting scanning tunneling microscope (STM) tip via vacuum tunnel barrier. Treating the nanotube as a…
We present a multi-scale formalism that accounts for the formation of nano-scale bubbles/cavities owing to a burst of water molecules after the passage of high energy charged particles that leads to the formation of hot non-ionizing…
The detailed mechanism of bonding in the cold spray process has remained elusive for both experimental and theoretical parties. Adiabatic shear instability and hydrodynamic plasticity models have been so far the most popular explanations.…
Experiments and computer simulations demonstrate that water spontaneously fills the hydrophobic cavity of a carbon nanotube. To gain a quantitative thermody- namic understanding of this phenomenon, we use the recently developed Two Phase…
In this work, a theoretical study of phase equilibrium in mixtures of a calamitic nematic liquid crystal and hard spherical nanoparticles is presented. A mean-field thermodynamic model is used, where the interactions are considered to be…
The shape memory behavior of a NiTi nanoparticle is analyzed by molecular dynamics simulations. After a detailed description of the equilibrium structures of the used model potential, the multi variant martensitic ground state, which…
Simulation results are presented to demonstrate electron temperature and electrical potential development in dilute and cold plasma development. The simulation method is a hybrid method which adopted fluid model for electrons due to their…
Systematically magnetic and magnetothermal measurements at temperatures down to 2 K and magnetic fields up to 13.5 Tesla for Gd(OH)3 Single Crystal Nanowires - Quasi-1D Large Spin (S = -7/2) Chain Antiferromagnet have been conducted. We…
We present molecular dynamics simulations of solid NaNO$_2$ using pair potentials with the rigid-ion model. The crystal potential surface is calculated by using an \emph{a priori} method which integrates the \emph{ab initio} calculations…