相关论文: Moir\'e-regulated composition evolution kinetics o…

We present a simple yet effective method for structure prediction of two-dimensional structures. The method is based on a combination of neural networks and evolutionary techniques. It allows finding pristine 2D structures as well as…

Moir\'e superstructures arising at twisted 2D interfaces have recently attracted the attention of the scientific community due to exotic quantum states and unique mechanical and tribological behaviors that they exhibit. Here, we predict the…

Numerical modeling of electrodynamic aggregation is carried out for a random ensemble of magnetized nanodust taken as a many body system of strongly magnetized thin rods (i.e., one-dimensional static magnetic dipoles), which possess…

Here we report on the translocation of folded polymers through nano-pores using molecular dynamic simulations. Two cases are studied; one in which a folded molecule unfolds upon passage and one in which the folding remains intact as the…

High performance nanocomposites require well dispersion and high alignment of the nanometer-sized components, at a high mass or volume fraction as well. However, the road towards such composite structure is severely hindered due to the easy…

As a typical 2D magnetic material with self-intercalated structure, Cr5Te8 exhibits many fascinating magnetic properties. Although the ferromagnetism of 2D Cr5Te8 has been reported, the study of its magnetic domain is still blank. Herein,…

Topological growth control allows to produce a narrow distribution of outgrown colloidal rods with defined and adjustable length. We use an external magnetic field to assemble paramagnetic colloidal spheres into colloidal rods of a chosen…

We investigate the formation of moire quasicrystal patterns in Bose gasses confined in twisted bilayer optical lattices via Floquet-engineered intralayer atomic interactions. Dynamical evolutions of the total density wave amplitude exhibit…

In this article, the evolution of nanoparticles in a two-dimensional temporal mixing layer over a long time is investigated. the flow field is calculated with direct numerical simulation (DNS), while the particle field is simulated using…

An autocatalytic pattern matching polymer system is studied as an abstract model for chemical ecosystem evolution. Highly ordered populations with particular sequence patterns appear spontaneously out of a vast number of possible states.…

The growth of iron-containing nanostructures in the process of focused electron beam-induced deposition (FEBID) of Fe(CO)$_5$ is studied by means of atomistic irradiation-driven molecular dynamics (IDMD) simulations. The geometrical…

Monte Carlo computer simulations of a quasi two dimensional (2D) dipolar fluid at low and intermediate densities indicate that the structure of the fluid is well described by an ideal mixture of self-assembling clusters. A detailed analysis…

Limited-valency colloidal particles can self-assemble into polymeric structures analogous to molecules. While their structural equilibrium properties have attracted wide attention, insight into their dynamics has proven challenging. Here,…

Transition metal dichalcogenide (TMD) bilayers have recently emerged as a robust and tunable moir\'e system for studying and designing correlated electron physics. In this work, by combining large-scale first principle calculation and…

Understanding polymorph selection in atomic and molecular systems and its control through thermodynamic conditions and external factors (such as seed characteristics) is fundamental to the design of targeted materials and holds great…

Transient size segregation of a bi-disperse granular mixture flowing over a periodic chute is studied using the Discrete Element Method and continuum simulations. A recently developed particle force-based size segregation model is used to…

Molecular dynamics simulations were used to quantify mechanically-induced structural evolution in nanocrystalline Al with an average grain size of 5 nm. A polycrystalline sample was cyclically strained at different temperatures, while a…

The extraordinary mechanical properties of 2D TMDCs make them ideal candidates for investigating strain-induced control of various physical properties. Here we explore the role of non-uniform strain in modulating optical, electronic and…

To have a fully ab initio description of the Moir\'e pattern in a transition metal dichalcogenide heterobilayer, we have carried out density functional theory calculations, taking accounts of both atomic registry in and the lattice…

We present a generic threshold model for the co-evolution of the structure of a network and the state of its nodes. We focus on regular directed networks and derive equations for the evolution of the system toward its absorbing state. It is…