相关论文: Accelerated atomistic simulation study on the stab…
We present a detailed theoretical analysis of the implementation of shortcut-to-adiabaticity protocols for the fast transport of neutral atoms with atom chips. The objective is to engineer transport ramps with durations not exceeding a few…
We computationally investigate the active transport of tangentially-driven polymers with varying degrees of flexibility and activity in two-dimensional square lattices of obstacles. Tight periodic confinement induces notable conformational…
Collapse modes in compressed simple cubic (SC) and body-centered cubic (BCC) periodic arrangements of elastic frictionless beads were studied numerically using the discrete element method. Under pure hydrostatic compression, the SC…
In recent years, predictive computational modeling has become a cornerstone for the study of fundamental electronic, optical, and thermal properties in complex forms of condensed matter, including Dirac and topological materials. The…
The four most stable structures of Ni$_N$ clusters with $N$ from 2 to 150 have been determined using a combination of the embedded-atom method in the version of Daw, Baskes and Foiles, the {\it variable metric/quasi-Newton} method, and our…
The nudged elastic band (NEB) and Dimer methods are standard tools for computing minimum-energy paths and index-one saddle points in atomistic transition problems. They are increasingly driven by surrogate or learned force models, whose…
Slow dynamic nonlinearity describes a poorly understood, creep-like phenomena that occurs in brittle composite materials such as rocks and cement. It is characterized by a drop in stiffness induced by a mechanical conditioning, followed by…
Despite the fundamental importance of solid-solid transformations in many technologies, the microscopic mechanisms remain poorly understood. Here, we explore the atomistic mechanisms at the migrating interface during solid-solid phase…
We present a novel approach for studying the global dynamics of a vibro-impact pair, that is, a ball moving in a harmonically forced capsule. Motivated by a specific context of vibro-impact energy harvesting, we develop the method with…
A cluster composed of a few magnetic atoms assembled on the surface of a nonmagnetic substrate is one suitable realization of a bit for future concepts of spin-based information technology. The prevalent approach to achieve magnetic…
The bit-rock interaction considerably affects the dynamics of a drill string. One critical condition is the stick-slip oscillations, where torsional vibrations are high; the bit angular speed varies from zero to about two times (or more)…
On the basis of the pseudopotential plane-wave(PP-PW) method and the local-density-functional theory(LDFT), this paper studies energetics, stress-strain relation, stability and ideal strength of $\beta $-SiC under various loading modes,…
In this work, we investigated tensile and compression forces effect on the thermal conductivity of silicon. We used equilibrium molecular dynamics approach for the evaluation of thermal conductivity considering different interatomic…
We compute the distribution of triplets of stationary points in the energy landscape of the spherical p-spin model, by evaluating the quenched three-point complexity by means of the Kac-Rice formalism. We show the occurrence of transitions…
We study vortex excitations in one-component Bose-Einstein condensates, with a special emphasis on the role of anisotropic confinement for the existence, stability and dynamical properties of vortices and particularly few-vortex clusters.…
The kinetics of carbon condensation, or carbon clustering, in detonation of carbon-rich high explosives is modeled by solving a system of rate equations for concentrations of carbon particles. Unlike previous efforts, the rate equations…
To faithfully simulate ITER and other modern fusion devices, one must resolve electron and ion fluctuation scales in a five-dimensional phase space and time. Simultaneously, one must account for the interaction of this turbulence with the…
Shuttling of single electrons in gate-defined silicon quantum dots is numerically simulated. A minimal gate geometry without explicit tunnel barrier gates is introduced, and used to define a chain of accumulation mode quantum dots, each…
Kinetics of collision-sticking processes between vapor molecules and molecular clusters of low volatile compounds facilitates the initial steps of atmospheric clustering. Conventional theoretical models are quite inaccurate due to the…
The structural relaxation of amorphous materials is described as arising from the superposition of elementary processes with varying activation energies. We show that it is possible to obtain the kinetic parameters of these processes from…