Multi-physical field coupling molecular dynamics simulation method and system for femtosecond laser ablation

By introducing the carrier concentration evolution equation and the Drude transient optical response model into the femtosecond laser ablation process, combined with the dual-temperature model, the shortcomings of existing technologies in simulating wide-bandgap semiconductor materials are addressed, and more accurate simulations of energy deposition and material removal processes are achieved.

CN122333808APending Publication Date: 2026-07-03SHANGHAI JIAOTONG UNIV
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Patent Information

Authority / Receiving Office
CN · China
Patent Type
Applications(China)
Current Assignee / Owner
SHANGHAI JIAOTONG UNIV
Filing Date
2026-05-11
Publication Date
2026-07-03

AI Technical Summary

Technical Problem

Existing numerical simulation methods for femtosecond laser ablation do not adequately consider the effects of carrier excitation, evolution, and energy deposition processes in wide-bandgap semiconductor materials. They also fail to accurately describe transient optical responses and struggle to accurately simulate non-equilibrium carrier dynamics behaviors such as multiphoton ionization, collisional ionization, diffusion, and recombination.

Method used

A multiphysics coupled molecular dynamics simulation method is adopted. By introducing the carrier concentration evolution equation and the Drude transient optical response model, combined with the dual-temperature model, a simulation model of wide bandgap semiconductor materials is established. The reflectivity and free carrier absorption coefficient are updated in real time. Multiphoton absorption, avalanche ionization, carrier diffusion and Auger recombination processes are considered to improve the simulation accuracy.

Benefits of technology

It improves the simulation accuracy of energy deposition process and material removal behavior of femtosecond laser processing of wide bandgap semiconductor materials, and can better describe the transient optical response and carrier behavior of materials, adapting to the characteristics of wide bandgap semiconductor materials.

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Abstract

This invention provides a multiphysics-coupled molecular dynamics simulation method and system for femtosecond laser ablation, comprising: establishing an atomic model of a wide-bandgap semiconductor material and its corresponding electronic grid; inputting laser parameters and material parameters and initializing field variables; introducing a carrier concentration evolution equation and updating the laser intensity distribution within the material based on the Drude model; considering the bandgap energy consumption term of the valence band electron transition process under femtosecond laser irradiation, improving the laser heat source term in the electronic temperature equation, updating the electronic temperature, and then obtaining the atomic-scale behavioral evolution through energy exchange between the electronic system and the lattice system, and outputting the results. This invention introduces the nonlinear absorption of femtosecond laser ablation of wide-bandgap semiconductor materials into a dual-temperature model-molecular dynamics model coupling framework, realizing a unified coupled simulation of energy deposition, carrier evolution, transient optical response, and material removal behavior of wide-bandgap semiconductor materials under femtosecond laser irradiation.
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Citation Information

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