相关论文: Efficacious symmetry-adapted atomic displacement m…

The venerable 2D point-vortex model plays an important role as a simplified version of many disparate physical systems, including superfluids, Bose-Einstein condensates, certain plasma configurations, and inviscid turbulence. This system is…

Crystal structures can be simplified as a periodic point set that repeats across three-dimensional space along an underlying lattice. Traditionally, crystal representation methods characterize the structure using descriptors such as lattice…

In the paper we apply asymptotic technique based on the method of stationary phase and obtain the approximate analytical description of thermal motions caused by a source on an isotopic defect of an arbitrary mass in a 1D harmonic crystal.…

The effect of disorder on flux lattices at equilibrium is studied quantitatively in the absence of free dislocations using both the Gaussian variational method and the renormalization group. Our results for the mean square relative…

Inexpensive numerical methods are key to enable simulations of systems of a large number of particles of different shapes in Stokes flow. Several approximate methods have been introduced for this purpose. We study the accuracy of the…

In this paper we have investigated, through computer simulations, dislocation nucleation and dislocation dynamics in a heterostructure system with the lattice-mismatch interface, i.e. a system with internal strain. In particular, we have…

Fractons are particles that cannot move in one or more directions without paying energy proportional to their displacement. Here, we introduce the concept of symmetry enforced fractonicity, in which particles are fractons in the presence of…

We compute the effective dispersion and vibrational density of states (DOS) of two-dimensional sub-regions of three dimensional face centered cubic (FCC) crystals using both a direct projection-inversion technique and a Monte Carlo…

We have written expressions for the free energy of a cholesteric liquid crystal in an approximation using the elasticity constants K_1, K_2, K_3 and the energy variation and the corresponding energy and energy gradient along the direction…

Systematic deflection of microparticles off of initial streamlines is a fundamental task in microfluidics, aiming at applications including sorting, accumulation, or capture of the transported particles. In a large class of setups,…

Simulations of SiC crystal growth using molecular dynamics (MD) have become popular in recent years. They, however, simulate very fast deposition rates, to reduce computational costs. Therefore, they are more akin to surface sputtering,…

Photonic crystals are periodic structure of dielectric materials that can control light propagations in the media because of their photonic-dispersion led by the well-ordered lattice-points arrangements. We here study the behavior of light…

Detection of dynamic surface displacements associated with local changes in material strain provides access to a number of phenomena and material properties. Contact resonance-enhanced methods of Atomic Force Microscopy (AFM) have been…

Recent advances in molecular biology and fluorescence microscopy imaging have made possible the inference of the dynamics of single molecules in living cells. Such inference allows to determine the organization and function of the cell. The…

Computational methods that automatically extract knowledge from data are critical for enabling data-driven materials science. A reliable identification of lattice symmetry is a crucial first step for materials characterization and…

Atomic level defects such as dislocations play key roles in determining the macroscopic properties of crystalline materials. Their effects are important and wide-reaching, and range from increased chemical reactivity to enhanced mechanical…

Understanding the complex patterns in space-time exhibited by active systems has been the subject of much interest in recent times. Complementing this forward problem is the inverse problem of controlling active matter. Here we use optimal…

We present a computationally efficient general first-principles based method for spin-lattice simulations for solids. Our method is based on a combination of atomistic spin dynamics and molecular dynamics, expressed through a spin-lattice…

In this contribution we derive and analyze a new numerical method for kinetic equations based on a variable transformation of the moment approximation. Classical minimum-entropy moment closures are a class of reduced models for kinetic…

The interaction of screw dislocations with an applied stress is studied using atomistic simulations in conjunction with a continuum treatment of the role played by the far field boundary condition. A finite cell of atoms is used to consider…