技术积累与参考文献

iPowder 及相关软件与算法

按发表年份由近及远排列，展示团队在专业分析工具与晶体学方法方面的持续积累。

1. 01
   iPowder2025

   iPowder: advanced software for automated high-throughput X-ray diffraction analysis.

   Chang, S., Lv, B., Yang, W., Dong, C., Katcho, N. A., Cao, S., Zhang, J., Rodríguez-Carvajal, J. & Feng, Z. (2025).

   Journal of Applied Crystallography, 58, 296–301.

   DOI · 10.1107/S1600576724012160 ↗
2. 02
   iModel2024

   iModel: an interactive 3D crystal structure visualization program.

   Cao, J., Feng, Z., Lv, B., Sun, X., Chang, S., Zhang, J. & Zhang, T. (2024).

   Journal of Applied Crystallography, 57, 859–864.

   DOI · 10.1107/S160057672400284X ↗
3. 03
   iQual2024

   iQual: a new computer program for qualitative phase analysis with efficient search–match capability.

   Lv, B., Feng, Z., Sun, X., Cao, J., Gao, Y., Chang, S., Dong, C. & Zhang, J. (2024).

   Journal of Applied Crystallography, 57, 572–579.

   DOI · 10.1107/S1600576724002267 ↗
4. 04
   iRing2024

   iRing: a program for two-dimensional powder diffraction image integration with automatic calibration.

   Sun, X., Feng, Z., Lv, B., Cao, J., Chang, S. & Dong, C. (2024).

   Journal of Applied Crystallography, 57, 567–571.

   期刊页面 ↗
5. 05
   自动 Rietveld 精修2019

   Method of artificial intelligence algorithm to improve the automation level of Rietveld refinement.

   Feng, Z., Hou, Q., Zheng, Y., Ren, W., Ge, J.-Y., Li, T., Cheng, C., Lu, W., Cao, S., Zhang, J. & Zhang, T. (2019).

   Computational Materials Science, 156, 310–314.

   DOI · 10.1016/j.commatsci.2018.10.006 ↗
6. 06
   Bragg 强度提取2010

   New procedure to obtain Bragg-reflection intensities from FULLPROF suite for powder crystal-structure determination using GEST and PECKCRYST programs.

   Feng, Z. J. et al. (2010).

   Powder Diffraction, 25(4), 374–376.

   DOI · 10.1154/1.3501976 ↗
7. 07
   GEST 结构模型筛选2010

   An approach for eliminating chemically unreasonable structure models with overlapping atoms as implemented within the GEST software.

   Feng, Z. J., Jia, R. R., Dong, C., Cao, S. X. & Zhang, J. C. (2010).

   Journal of Applied Crystallography, 43, 179–180.

   DOI · 10.1107/S0021889809049875 ↗
8. 08
   PeckCryst2009

   PeckCryst: a program for structure determination from powder diffraction data using a particle swarm optimization algorithm.

   Feng, Z. J., Dong, C., Jia, R. R., Deng, X. D., Cao, S. X. & Zhang, J. C. (2009).

   Journal of Applied Crystallography, 42, 1189–1193.

   DOI · 10.1107/S0021889809034207 ↗
9. 09
   GEST2007

   GEST: a program for structure determination from powder diffraction data using a genetic algorithm.

   Feng, Z. & Dong, C. (2007).

   Journal of Applied Crystallography, 40, 583–588.

   DOI · 10.1107/S0021889807008618 ↗

FullProf 与中子衍射磁结构分析

10. 10
    FullProf 磁结构2025

    Magnetic structure determination and refinement using FullProf.

    Rodríguez-Carvajal, J., González-Platas, J. & Katcho, N. A. (2025).

    Acta Crystallographica Section B: Structural Science, 81, 302–317.

    DOI · 10.1107/S2052520625003944 ↗
11. 11
    中子衍射磁结构1993

    Recent advances in magnetic structure determination by neutron powder diffraction.

    Rodríguez-Carvajal, J. (1993).

    Physica B: Condensed Matter, 192(1–2), 55–69.

    DOI · 10.1016/0921-4526(93)90108-I ↗