研究目的
To study electron diffraction in crystalline materials using the Bohmian trajectory method, providing a fresh understanding of the process of electron diffraction, including traveling channels of electrons and formation of diffraction patterns.
研究成果
The Bohmian trajectory theory, combined with the Bloch wave method and the proposed momentum expectation approach, provides an intuitive and accurate way to simulate electron diffraction in crystalline materials. The methods offer significant advantages in computational efficiency and memory usage, making them practical tools for studying quantum phenomena in materials science.
研究不足
The study focuses on a thin molybdenum crystal and may not generalize to all crystalline materials. The computational efficiency, while improved, may still be a constraint for very large matrices.
1：Experimental Design and Method Selection:
The Bohmian trajectory method is combined with the Bloch wave method for efficient calculation of electron trajectories. A momentum expectation approach is proposed for higher computational efficiency.
2：Sample Selection and Data Sources:
A thin molybdenum crystal is used as an example, with a lattice constant of 0.31468 nm and a Debye–Waller factor of 0.23 ?2.
3：31468 nm and a Debye–Waller factor of 23 ?2.
List of Experimental Equipment and Materials:
3. List of Experimental Equipment and Materials: Not explicitly mentioned.
4：Experimental Procedures and Operational Workflow:
The wave function, velocity field, and Bohmian trajectories are calculated to simulate electron diffraction. The EBSD pattern is simulated by statistical accumulation of points on a screen.
5：Data Analysis Methods:
The relationship between probability density and trajectory distribution is analyzed. The similarity between simulated and experimental EBSD patterns is measured using 2D image cross-correlation.
独家科研数据包，助您复现前沿成果，加速创新突破
获取完整内容
