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Low-pass Filter Boundary Condition for Atomic-based Finite Element Method
REN Guowu, TANG Tiegang, LI Qingzhong
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2014, 31 (5): 514-522.  
Abstract355)      PDF (2181KB)(1019)      
An atomic-based finite element method is developed,spanning from atomic scale to macroscopic one. With theoretical deduction dispersion relation and dynamic scattering behavior are calculated. For spurious reflection caused by non-uniform grid,lowpass filter boundary condition is designed to effectively eliminate the reflection of high-frequency phonons,while keeping low-frequency ones transparent. These schemes are demonstrated with numerically calculating reflection and transmission coefficients in onedimensional modeling.
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