相关论文: Stability and proton exchange in Te(OH)6
Malleability of metals is an example of how dynamics of defects like dislocations induced by external stresses alters material properties and enables technological applications. However, these defects move merely to comply with the…
The possibility of suddenly ionized molecules undergoing extremely fast electron hole dynamics prior to significant structural change was first recognized more than 20 years ago and termed charge migration. The accurate probing of ultrafast…
In the present work, we study the energization and displacement of heavy ions through the use of test particles interacting with the electromagnetic fields of magnetohydrodynamic (MHD) turbulence. These fields are obtained from…
We analyze the dynamics of crystal surfaces in the presence of electromigration. From a phase field model with a migration force which depends on the local geometry, we derive a step model with additional contributions in the kinetic…
Understanding the nature of solvated electrons is important in studying a range of chemical and biological phenomena. This study investigates the structural and dynamical behavior of an excess electron in water, examining different…
We report on the degree of order of the vortex solid in YBa2Cu3O7 single crystals observed in ac susceptibility measurements. We show that when vortices are "shaken" by a temporarily symmetric ac field they are driven into an easy-to-move,…
We study numerically the phase space of the evolution equation h_t = -(h^n h_{xxx})_x - B (h^m h_x)_x . Here h(x,t) is nonnegative, n>0 and m is real, and the Bond number B is positive. We pursue three goals: to investigate the nonlinear…
A desktop experiment has been done to show the nonlinearity in the I-V characteristics of an ion conducting electrochemical micro-system. Its chaotic dynamics is being reported for the first time which has been captured by an electronic…
Chiral crystals, like chiral molecules, cannot be superimposed onto their mirror images -- a fundamental property that has been linked to interesting physical behavior and exploited in functional devices. Among the simplest inorganic…
We study the effects of the degeneracy of the $e_g$ orbitals as well as the double exchange interaction with $t_{2g}$ spins in perovskite transition-metal oxides. In addition to the spin field ${\vec S}_i$, the isospin field ${\vec T}_i$ is…
The cyclic motion of particles in a periodic potential under the influence of a constant external force is analyzed in an atom optical approach based on Landau-Zener transitions between two resonant states. The resulting complex picture of…
We study the model of a molecular switch comprised of a molecule with a soft vibrational degree of freedom coupled to metallic leads. In the presence of strong electron-ion interaction, different charge states of the molecule correspond to…
We have studied the motion of antihydrogen atoms in electric and magnetic fields of arbitrary orientation. Our aim was to find an exact model of external (centre-of-charge) and internal dynamics which would allow us to describe antihydrogen…
Hydrogen as a fuel can be stored safely with high volumetric density in metals. It can, however, also be detrimental to metals causing embrittlement. Understanding fundamental behavior of hydrogen at atomic scale is key to improve the…
The transport of matter by turbulent flows plays an important role, in particular in a geophysical context. Here, we study the relative movement of groups of two (pairs) and four (tetrahedra) Lagrangian particles using direct numerical…
We explore the effects of a homogeneous external electric field on the static properties and dynamical behavior of two charged particles confined to a helix. In contrast to the field-free setup which provides a separation of the…
On the basis of the transfer matrix technique an analytical method to investigate the stationary states, for an electron in one-dimensional periodic structures in an external electrical field, displaying the symmetry of the problem is…
The unusual structural stability of gold nanowires at large separations of gold atoms is explained from first-principles quantum mechanical calculations. We show that undetected light atoms, in particular hydrogen, stabilize the…
The recently proposed Partition Theory (PT) [J.Phys.Chem.A 111, 2229 (2007)] is illustrated on a simple one-dimensional model of a heteronuclear diatomic molecule. It is shown that a sharp definition for the charge of molecular fragments…
Li containing transition metal oxides are known as good ionic conductors. Performing classical molecular dynamics simulations, the diffusion behavior of Li ions is investigated in crystalline and amorphous phases with the stoichiometries…