A phase retrieval algorithm for triply periodic minimal surface like structures
この論文をさがす
説明
<jats:p>A method to solve the crystallographic phase problem of materials with triply periodic minimal surface like structures, such as lyotropic liquid crystal bicontinuous cubic phases, is reported. In triply periodic minimal surface like structures, the difference between the maximum and minimum electron densities tends to be the smallest for the true phase combination among the possible combinations [Oka (2022). <jats:italic>Acta Cryst.</jats:italic> A<jats:bold>78</jats:bold>, 430–436]. Using this feature, a new iterative phase retrieval algorithm for structure determination was developed. The algorithm modifies electron densities outside the upper and lower thresholds in the iterative Fourier transformation process with fixed amplitudes for the structure factors, and efficiently searches for the structure with the smallest difference between the maximum and minimum electron densities. The proper structure was determined by this algorithm for all tested data for lyotropic liquid crystal bicontinuous cubic phases and mesoporous silicas. Although some cases required constraints such as the volume fraction for structure determination, more than half could be determined without any constraints, including space groups.</jats:p>
収録刊行物
-
- Acta Crystallographica Section A Foundations and Advances
-
Acta Crystallographica Section A Foundations and Advances 79 (1), 51-58, 2023-01
International Union of Crystallography
- Tweet
キーワード
詳細情報 詳細情報について
-
- CRID
- 1050013244132576256
-
- ISSN
- 20532733
-
- HANDLE
- 10297/00029274
-
- PubMed
- 36601763
-
- 本文言語コード
- en
-
- 資料種別
- journal article
-
- データソース種別
-
- IRDB
- Crossref
- OpenAIRE