Scale-span design method for interface structure of micro/nano/photoelectronic device

Abstract

The invention discloses a scale-span design method for an interface structure of a micro / nano / photoelectronic device, which comprises the following steps of: designing a coupling area of a finite element and an interface element, and an interface element coupling area of molecular dynamics; constructing a finite element, interface element and molecular dynamics coupled model; solving a finite element equation in the finite element area by using a finite element method, and converting the finite element equation to a boundary of the interface element area to solve the interface element area; assigning atoms in the finite element coupling area of the molecular dynamics and converting the solution of the finite element area into a boundary condition of the atoms in the molecular dynamics area; initiating molecular dynamics solving in the molecular dynamics area, and solving new positions of atoms by using a non-equilibrium molecular dynamics model; and finally determining system balance of the molecular dynamics area. By the method, the energy coupled transfer is realized systematically, the macro / micro / nano simulation of interface characteristics of the micro / nano / photoelectronic device is realized, and the method has the characteristics of precision, scientific property and high efficiency.

Description

technical field [0001] The invention relates to microscopic to macroscopic numerical simulation, in particular to a cross-scale coupling design method for the microstructure interface of micro / nano / optoelectronic devices. Background technique [0002] Multi-layer structures and multi-interfaces are ubiquitous phenomena in electronic devices themselves as well as in device interconnection and packaging. Interface delamination failure has become an important concern in product performance and reliability. Foreign researchers have found through a large number of experiments that the interface is a key part in the manufacture and operation of microsystems, and many damages and defects occur near the interface. However, the research on the interface law of microscopic materials has just started, and the macroscopic theory based on continuum mechanics is no longer applicable. The physical characteristics of the interface are not only related to the geometry of the microstructure ...

AI Technical Summary

Problems solved by technology

However, the disadvantage of molecular dynamics simulation is that the calculation requires a huge amount of time, and its calculation time increases sharply with the increase of the number of atoms. Can only simulate 10 9 Atom, that is, a material less than 1 square micron, such a scale range is obviously not enough for the simulation of crack growth, energy impact, etc.

Images