High-throughput screening and database website construction method for auxetic piezoelectric materials
CN118942584BActive Publication Date: 2026-08-28BEIJING INST OF TECH +1
Patent Information
- Application Number
- CN202410969227.0
- Authority / Receiving Office
- CN · China
- Patent Type
- Patents(China)
- Current Assignee / Owner
- Filing Date
- 2024-07-18
- Publication Date
- 2026-08-28
- Estimated Expiration
- 2044-07-18
AI Technical Summary
Technical Problem
[0004]2)此外,目前对于拉胀压电材料的构效关系研究仍然不足
Benefits of technology
(1)本发明通过高通量筛选的初始样本数量庞大,超过140万个初始结构,确保了能够筛选出大量的拉胀压电材料;并且在高通量筛选过程中,综合考虑了材料的实验可合成性、半导体特性和弹性稳定性等因素,确保筛选得到的拉胀压电材料对实验研究人员具有重要的参考价值。
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Abstract
The application provides a high-throughput screening and database website construction method of auxetic piezoelectric materials, and belongs to the technical field of material science. 33 and transverse d 31 , d 32 piezoelectric coefficients; the piezoelectric material is calculated by first principle calculation software, and the calculation result of the auxetic piezoelectric material is obtained by judging the positive and negative relationship of the piezoelectric coefficient signs of the piezoelectric material with transverse d 31 , d 32 and longitudinal d 33 ; the calculation result is sorted and classified, and the database website is constructed by taking the calculation result as data basis, through data hosting website and webpage front-end development technology. The application adopts the above-mentioned high-throughput screening and database website construction of the new auxetic piezoelectric material, solves the research blank problem of the piezoelectric material database in the prior art, and realizes the data classification, screening and retrieval of the piezoelectric material by constructing the database website.
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Citation Information
Patent Citations
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