相关论文: Atomic motion in solids with dimpled potentials
This paper reports the force spectroscopy analysis of a polymer that translocates from one side of a membrane to the other side through an extended pore, pulled by a cantilever that moves with constant velocity against the damping and the…
Building upon the classical chemo-mechanical theory of Larch{\'e} and Cahn for equilibrium, numerous studies have investigated the transport of species in solids, with or without trapping phenomena. In most applications -- such as the…
Exact conservation of the angular momentum is worked out for an elastic medium with spins. The intrinsic anharmonicity of the elastic theory is shown to be crucial for conserving the total momentum. As a result, any spin-lattice dynamics…
An electron density functional approach for the calculation of the nuclear multipole moments is presented. The electronic matrix elements entering the experimentally observed hyperfine electron-nucleus interaction constants in atoms are…
In recent work, we developed a screening theory for describing the effect of plastic events in amorphous solids on its emergent mechanics. The suggested theory uncovered an anomalous mechanical response of amorphous solids where plastic…
We investigate lamellar three-phase patterns that form during the directional solidification of ternary eutectic alloys in thin samples. A distinctive feature of this system is that many different geometric arrangements of the three phases…
This paper explores the interplay between quantum nuclear motion and anharmonicity, which causes nontrivial effects on the structural and dynamical characteristics of silicene, a two-dimensional (2D) allotrope of silicon with interesting…
We investigate solid-solid and solid-liquid transitions of elastic flexible off-lattice polymers with Lennard-Jones monomer-monomer interaction and anharmonic springs by means of sophisticated variants of multicanonical Monte Carlo methods.…
A recent description of the motion of atoms in a classical monatomic system in liquid and supercooled liquid states divides the motion into two parts: oscillations within a given many-particle potential valley, and transit motion which…
We analyze the motion of an overdamped classical particle in a multidimensional periodic potential, driven by a weak external noise. We demonstrate that in steady-state, the presence of temporal correlations in the noise and spatial…
In marginally jammed solids confined by walls, we calculate the particle and ensemble averaged value of an order parameter, $\left<\Psi(r)\right>$, as a function of the distance to the wall, $r$. Being a microscopic indicator of structural…
The molecular dynamics method is applied to simulate the recrystallization of an amorphous/crystalline silicon interface. The atomic structure of the amorphous material is constructed with the method of Wooten, Winer, and Weaire. The…
Modeling potential alloys requires the exploration of all possible configurations of atoms. Additionally, modeling the thermal properties of materials requires knowledge of the possible ways of displacing the atoms. One solution to finding…
We numerically study the dynamic behavior under a symmetric shear flow of selected examples of concentrated phase emulsions with multi-core morphology confined within a microfluidic channel. A variety of new nonequilibrium steady states is…
We present an analysis of the vibrational dynamics of metal vicinal surfaces using the embedded atom method to describe the interaction potential and both a real space Green's function method and a slab method to calculate the phonons. We…
Understanding and simulating the thermodynamic and dynamical properties of materials affected by strong ionic anharmonicity is a central challenge in material science. Much interest is in material displaying critical displacive behaviour,…
Transition metal diborides crystallise in the $\alpha$, $\gamma$, or $\omega$ type structure, in which pure transition metal layers alternate with pure boron layers stacked along the hexagonal [0001] axis. Here we view the prototypes as…
We simulate the decay of isolated, spherically symmetric droplets in a cosmological phase transition. It has long been posited that such heated droplets of the metastable state could form, and they have recently been observed in 3D…
The phase diagram of model anisotropic particles with four attractive patches in a tetrahedral arrangement has been computed at two different values for the range of the potential, with the aim of investigating the conditions under which a…
Recent studies of the phase diagram for spherical, purely repulsive, active particles established the existence of a transition from a liquid-like to a solid-like phase analogous to the one observed in colloidal systems at thermal…