相关论文: Accelerated atomistic simulation study on the stab…
Under irradiation, SiC develops damage commonly referred to as black spot defects, which are speculated to be self-interstitial atom clusters. To understand the evolution of these defect clusters and their impacts (e.g., through radiation…
Sagnac interferometers with massive particles promise unique advantages in achieving high precision measurements of rotation rates over their optical counterparts. Recent proposals and experiments are exploring non-ballistic Sagnac…
Localized basis ab initio molecular dynamics simulation within the density functional framework has been used to generate realistic configurations of amorphous silicon carbide (a-SiC). Our approach consists of constructing a set of smart…
We study the kinetics of the redistribution of impurity atoms in the elastic fields of dislocations by computer simulation methods. A work consists of several stages. The first is the simulation of a dislocation core structure with a…
We investigate the properties of clusters formed from two connected $\mathrm{Ge_{m}}$ cage-like clusters, such as experimentally synthesized $\mathrm{Au_3Ge_{18}^{5-}}$, using first-principles DFT methods. We focus particularly on…
Both even- and odd-numbered neutral carbon clusters Cn (n = 2-10) are systematically studied using the energy minimization method and the modified Brenner potential for the carbon-carbon interactions. Many stable configurations were found…
We address the energetic stability of the graphene/SiC(0001) interface and the associated binding mechanism by studying a series of low-strain commensurate interface structures within a density functional scheme. Among the structures with…
We use density functional theory (DFT) to study the thermodynamic stability and migration of copper ions and small clusters embedded in amorphous silicon dioxide. We perform the calculations over an ensemble of statistically independent…
We proposed a new way, adding intertube atoms, to enhance interfacial thermal conductance (ITC) between SiC-carbon nanotube (CNT) array structure. Non-equilibrium molecular dynamics method was used to study the ITC. The results show that…
We study the mobility of objects embedded in an immersed granular packing and subjected to cyclic loadings. In this aim, we conducted experiments using glass beads immersed in water and a horizontal plate subjected to a cyclic uplift force.…
Bunching and meandering instability of steps at the 4H-SiC(0001) surface is studied by the kinetic Monte Carlo simulation method. Change in the character of step instability is analyzed for different rates of particle jumps towards step. In…
We determine the full kinetic phase diagram for nucleation and growth of crystal phases in a suspension of charged colloids. We calculate nucleation barrier heights for face-centered cubic (fcc) and body-centered cubic (bcc) crystal phases…
The simplest model of three coupled Bose-Einstein Condensates (BEC) is investigated using a group theoretical method. The stationary solutions are determined using the SU(3) group under the mean field approximation. This semiclassical…
Cluster structures of $^{14}$C were investigated with a method of antisymmetrized molecular dynamics (AMD) combined with a $3\alpha+nn$ cluster model while focusing on the monopole excitations and linear-chain $3\alpha$ band. Variation…
Modulating wire currents to shift a magnetic trap along an atom chip enables smooth contact-free delivery of Bose-Einstein condensates but can deform the confinement profile causing parametric heating and atom loss. We introduce a fast…
The kinetics of ordering and concurrent ordering and clustering is analyzed with an equation of motion initially developed to account for dissipative processes in quantum systems. A simplified energy eigenstructure, or…
Theoretical studies of coherent atom transport have as yet mainly been restricted to one-dimensional model systems with harmonic trapping potentials. Here we investigate this important phenomenon -- a prerequisite for a variety of…
Symplectic symmetry approach to clustering (SSAC) in atomic nuclei, recently proposed, is modified and further developed in more detail. It is firstly applied to the light two-cluster $^{20}$Ne + $\alpha$ system of $^{24}$Mg, the latter…
A new mode of nuclear fission has been proposed by the FOBOS collaboration, called Collinear Cluster Tri-partition (CCT), suggesting that three heavy fission fragments can be emitted perfectly collinearly in low-energy fission. It is…
In this review, we present our recent computational work on carbon-based nanostructured composites. These materials consist of carbon crystallites embedded in an amorphous carbon matrix and are modeled here through classical and…