Molecular dynamics model verification method based on transmission electron microscope analysis result

• Main Authors: LIN JIAMING, TIAN ZIGE, XU XIPENG, JIANG FENG, WU YUEQIN
• Format: Patent
• Language: Chinese; English
• Published: 12.04.2022
• Subjects: INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS; PHYSICS

The invention discloses a molecular dynamics model verification method based on a transmission electron microscope analysis result. The molecular dynamics model verification method comprises the following steps: 1, establishing a molecular dynamics simulation model; 2, setting simulation parameters; 3, calculating and outputting a simulation result by adopting a molecular dynamics simulation method according to the simulation parameters; 4, processing the output simulation result to obtain crystal defects; and 5, comparing the crystal defect simulated by molecular dynamics with the crystal defect of the transmission electron microscope result obtained by the test for verification. Compared with the prior art, the molecular dynamics model verification method based on the transmission electron microscope analysis result can be used for checking the molecular dynamics simulation result, the accuracy of the molecular dynamics simulation model is improved, and the credibility of the molecular simulation result is