Method for analyzing adhesion mechanism of conductive polymer and semiconductor based on computer simulation

Abstract

According to the method for analyzing the adhesion mechanism of the conductive polymer and the semiconductor based on computer simulation, tensile molecular dynamics simulation and a QEq charge balance method are creatively combined, and the adhesion strength of the conductive polymer and the semiconductor is obtained; and the adhesion mechanism between the electronegativity and the entropy change is deeply analyzed from a brand new angle of combining the electronegativity and the entropy change. The method is simple and easy to implement and wide in application range; according to the stretching molecular dynamics method, the problem of simulation time limitation of conventional molecular dynamics simulation is solved, the relatively accurate adhesion effect is simulated within nanosecond time, and the requirement for computer performance is lowered; the QEq charge balance method solves the problem of charge distribution of an inorganic system and a polymer system, and allows charges in the systems to respond to the change of an external environment; molecular dynamics simulation eliminates influence of real factors which are difficult to avoid in an experiment, an adhesion mechanism between the two is explored through an atomic-scale phenomenon, and a more reliable basis is provided for predicting macroscopic performance.

Description

technical field [0001] The invention belongs to the technical field of computer simulation of interface adhesion, in particular to a method for analyzing the adhesion mechanism of conductive polymers and semiconductors based on computer simulation. Background technique [0002] Conductive polymers have attracted great interest in technical applications due to their excellent electrical, thermal, and other mechanical properties, which offer potential applications in several fields, especially in electronic packaging. In the field of electronic packaging, the rational selection of conductive adhesive materials is very critical. Conductive adhesives are commonly used to adhere semiconductors to other objects, and the adhesion involved is a multifaceted and complex phenomenon that depends on factors such as substrate structure, thermodynamic behavior, and humidity, among others. Initially, solders such as Sn and Pb were widely used to connect electronic devices, but since these...

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Problems solved by technology

But at present, the analysis of this adhesion mechanism at the atomic level is still lacking.

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