Journal of Applied Crystallography最新文献

IF 5.2 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-11-26

引用次数: 0

Optimal operation guidelines for direct recovery of high-purity precursor from spent lithium-ion batteries: hybrid operation model of population balance equation and data-driven classifier 废旧锂离子电池直接回收高纯前驱体的优化操作准则：种群平衡方程与数据驱动分类器混合操作模型

IF 5.2 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-11-26 DOI: 10.1107/S1600576724010239

Jeongdong Kim, Seongbin Ga, Sungho Suh, Joseph Sang-Il Kwon, Kiho Park, Junghwan Kim

{"title":"Optimal operation guidelines for direct recovery of high-purity precursor from spent lithium-ion batteries: hybrid operation model of population balance equation and data-driven classifier","authors":"Jeongdong Kim, Seongbin Ga, Sungho Suh, Joseph Sang-Il Kwon, Kiho Park, Junghwan Kim","doi":"10.1107/S1600576724010239","DOIUrl":"https://doi.org/10.1107/S1600576724010239","url":null,"abstract":"The direct resynthesis of precursor from spent lithium-ion batteries (LIBs) via co-precipitation is a crucial step in closed-loop cathode recycling systems. However, design and operation strategies for producing high-purity precursors have not been comprehensively explored or optimized. Herein, we propose the optimization of co-precipitation during the recovery of spent LIBs to achieve impurity-free precursor resynthesis. By incorporating the thermodynamic equilibrium model of the leaching solution of spent LIBs into a population balance equation (PBE) model, we identified the operating ranges that prevented the formation of impurities. Bayesian optimization was employed within the screened operating ranges to determine the optimal operating conditions for minimizing both operation time and maximum particle size. This optimization was performed for both unseeded batch and semi-batch systems. The results demonstrate that the selection of an optimal semi-batch operation can reduce the operation time by 23.33% and increase the particle size by 54.75%, owing to the high nucleation and particle growth rate during the initial time step. By employing an optimization approach based on the PBE model, this study provides detailed operational guidelines for batch and semi-batch co-precipitation, enabling the production of high-purity precursor materials from spent LIBs, while minimizing both operating time and maximum particle size.","PeriodicalId":48737,"journal":{"name":"Journal of Applied Crystallography","volume":"57 6","pages":"1924-1939"},"PeriodicalIF":5.2,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142764429","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

IF 5.2 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-11-26

引用次数: 0

Multimodal reconstruction of TbCo thin-film structure with Bayesian analysis of polarized neutron reflectivity 基于偏振中子反射率贝叶斯分析的TbCo薄膜结构多模态重构

IF 5.2 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-11-26 DOI: 10.1107/S1600576724010367

P. S. Savchenkov, K. V. Nikolaev, V. I. Bodnarchuk, A. N. Pirogov, A. V. Belushkin, S. N. Yakunin

引用次数: 0

IF 5.2 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-11-26

引用次数: 0

IF 5.2 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-11-23

引用次数: 0

PyFaults: a Python tool for stacking fault screening PyFaults：用于堆叠故障筛选的Python工具

IF 5.2 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-11-22 DOI: 10.1107/S1600576724009956

Sinclair R. Combs, Annalise E. Maughan

引用次数: 0

Symmetry groups of the Batak basketweave patterns 巴塔克编织图案的对称组

IF 5.2 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-11-22 DOI: 10.1107/S1600576724009993

Ma. Louise Antonette De Las Peñas, Agnes Garciano, Debbie Marie Verzosa, Mark Tomenes

{"title":"Symmetry groups of the Batak basketweave patterns","authors":"Ma. Louise Antonette De Las Peñas, Agnes Garciano, Debbie Marie Verzosa, Mark Tomenes","doi":"10.1107/S1600576724009993","DOIUrl":"https://doi.org/10.1107/S1600576724009993","url":null,"abstract":"Layer groups are three-dimensional crystallographic groups that have translational symmetries in two dimensions. This paper discusses the layer group symmetries of the patterns arising from two-way twofold weaves found in the baskets, trays and mats of the Batak, an indigenous community in the Philippines. This study reports 44 distinct Batak weave patterns, culled from existing studies on Batak basketry; from museums, exhibits and social enterprises focusing on Batak products in the Philippines; and from a two-day visit to a Batak community in Palawan. The method used in this study to determine the symmetry group of a two-way twofold weave was to first codify the weave by means of a design, which is a 2-coloring of a regular tiling by squares where a tile is colored one of two colors, depending on whether a weft is over a warp or vice versa in the corresponding weave. Next, the side-preserving and side-reversing symmetries of the weave were derived from the color symmetry group structure of its corresponding design. The symmetry groups found are of 15 layer group types, out of the 80 layer groups known in crystallography.","PeriodicalId":48737,"journal":{"name":"Journal of Applied Crystallography","volume":"57 6","pages":"1896-1906"},"PeriodicalIF":5.2,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142764462","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

IF 5.2 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-11-22

引用次数: 0

IF 5.2 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-11-22

引用次数: 0