Title:
QUICK COLLISION DETECTION METHOD FOR CRYSTAL STRUCTURE
Document Type and Number:
WIPO Patent Application WO/2020/172861
Kind Code:
A1
Abstract:
The present invention relates to the field of quantum chemistry, in particular, to a quick collision detection method for a crystal structure. By means of the periodic nature of a crystal structure and certain mathematical derivation, a molecular collision caused by the periodicity can be detected only by minimal cell expansion; due to the periodicity of the crystal structure, a unit cell contains all information that does not cross the boundary of the unit cell; for information that crosses the boundary of the unit cell, only a neighborhood within the action scope thereof needs to be considered; therefore, all collisions can be detected by reducing the range of cell expansion to a neighborhood of the maximum collision distance; finally, collision detection calculation is sped up by an improved Euclidean distance calculation method. The present invention provides a quick and accurate calculation method to determine, according to experience, whether a crystal structure is reasonable in terms of spatial position, thereby improving the calculation accuracy and efficiency.
Inventors:
LI BOCHEN (CN)
ZENG QUN (CN)
SUN GUANGXU (CN)
ZHANG PEIYU (CN)
MA JIAN (CN)
LAI LIPENG (CN)
WEN SHUHAO (CN)
ZENG QUN (CN)
SUN GUANGXU (CN)
ZHANG PEIYU (CN)
MA JIAN (CN)
LAI LIPENG (CN)
WEN SHUHAO (CN)
Application Number:
PCT/CN2019/076519
Publication Date:
September 03, 2020
Filing Date:
February 28, 2019
Export Citation:
Assignee:
SHENZHEN JINGTAI TECH CO LTD (CN)
International Classes:
H01L21/66; G01N23/20
Foreign References:
| CN110019765A | 2019-07-16 | |||
| CN1603769A | 2005-04-06 | |||
| CN203774269U | 2014-08-13 | |||
| CN108700673A | 2018-10-23 | |||
| JP2004361100A | 2004-12-24 |
Attorney, Agent or Firm:
SZ KINDWALF INTELLECTUAL PROPERTY FIRM (CN)
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