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Crystals, Volume 15, Issue 5

May 2025 - 106 articles

Cover Story: This paper presents a self-supervised learning framework for the classification of crystal symmetries, extinction groups, and space groups in powder X-ray diffraction (PXRD) patterns. By training on simulated data with physically motivated PXRD variations (dubbed augmentations), the model learns representations invariant to experimental distortions (e.g., zero point, profile shape, etc.). Drawing on recent advances in contrastive learning, it improves robustness to real-world noise and domain shift. The approach offers a promising path toward improved generalizable, automated crystallographic analysis and sets the stage for models to achieve end-to-end structure solution based on powder diffraction data. View this paper
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Articles (106)

  • Article
  • Open Access
881 Views
11 Pages

Transformation Mechanism of Undercooled Austenite and Deformation Behavior of a 1.2 GPa High-Strength Medium Mn Steel

  • Ying Dong,
  • Jiachen Xu,
  • Lingming Meng,
  • Qinghao Miao,
  • Haobo Cui,
  • Jiaxin Chen,
  • Yu Du,
  • Tao Liu,
  • Qingdong Feng and
  • Chengjun Zhu

21 May 2025

In this study, the phase transformation mechanism during the decomposition of undercooled austenite and its effect on the deformation behavior of a high-strength medium Mn steel were studied. The results indicate that the austenite formation during h...

  • Article
  • Open Access
954 Views
24 Pages

Formation Mechanism and Gemological Characteristics of “Yellow-Skinned” Nanhong Agate in Northeastern Yunnan, China: Evidence from Mineralogy and Geochemistry

  • Qiuyun Song,
  • Shitao Zhang,
  • Wenzhou Pu,
  • Liurunxuan Chen,
  • Ruohan Zuo,
  • Xianchao Chen,
  • Dai Zhang and
  • Wenlian Liu

21 May 2025

The “yellow-skinned” Nanhong agate represents a unique variety of Nanhong agate found in northeastern Yunnan, China, and it is highly valued for its distinctive yellow exterior and clear red–yellow interface. Owing to the limited re...

  • Article
  • Open Access
957 Views
13 Pages

21 May 2025

In this paper, we report on the growth and characterization of high doping concentration (2.1 at%) ytterbium (Yb) doped lithium niobate (Yb:LiNbO3) crystal. By using a slightly modified Czochralski method, we have successfully grown a usable size (2...

  • Article
  • Open Access
907 Views
11 Pages

Dilute Paramagnetism and Non-Trivial Topology in Quasicrystal Approximant Fe4Al13

  • Keenan E. Avers,
  • Jarryd A. Horn,
  • Ram Kumar,
  • Shanta R. Saha,
  • Peter Zavalij,
  • Yuanfeng Xu,
  • Bogdan Andrei Bernevig and
  • Johnpierre Paglione

21 May 2025

A very fundamental property of both weakly and strongly interacting materials is the nature of their magnetic response. In this work, we detail the growth of crystals of the quasicrystal approximant Fe4Al13 with an Al flux solvent method. We characte...

  • Article
  • Open Access
938 Views
16 Pages

21 May 2025

The growth velocity of the crystal–melt interface during solidification is one of the important parameters that determine the crystal growth morphology. However, both experimental investigations and theoretical calculations are time-consuming a...

  • Article
  • Open Access
815 Views
17 Pages

21 May 2025

This study pioneers the development of a synergistic Ag-doped molecularly imprinted TiO2 photocatalyst (MIP-Ag-TiO2) through a multi-strategy engineering approach, integrating molecular imprinting technology with plasmonic metal modification via a pr...

  • Article
  • Open Access
784 Views
13 Pages

20 May 2025

Composite-to-metal interference-fit is widely used in the aerospace field, where the problem of the damage and failure of composite materials is particularly critical. A numerical study was conducted on the damage and failure of carbon fiber composit...

  • Article
  • Open Access
2 Citations
753 Views
14 Pages

Co0.85Bi0.15Fe1.9X0.1O4 (X = Ce4+, Sm3+, Ho3+, and Er3+) Nanoparticles with Selective Anticancer Activity: A Structural and Morphological Approach

  • Liza Saher,
  • Adel Benali,
  • Saoussen Haddad,
  • Essebti Dhahri,
  • Manuel P. F. Graça,
  • Benilde F. O. Costa,
  • Luisa A. Helguero and
  • Artur M. S. Silva

20 May 2025

In this work, we synthesized the Co0.85Bi0.15Fe1.9X0.1O4 (X = Ce3+, Sm3+, Ho3+, and Er3+) nanoparticles via the auto-combustion method. The cell viability against two breast cancer cells (MDA-MB-231 and T-47D cells) and the PC3 prostate cancer cells...

  • Article
  • Open Access
705 Views
10 Pages

19 May 2025

The full chemical shift tensor of 207Pb (spin I=1/2) in the natural mineral crocoite, PbCrO4, has been determined using single-crystal NMR spectroscopy at room temperature. The eigenvalues of the tensor in its principal axes system are δ11=&min...

  • Article
  • Open Access
788 Views
16 Pages

19 May 2025

Titanium carbonitride (Ti(C,N))-based ceramics are widely utilized in mechanical machining, aerospace, and electronics, particularly in cutting tools and wear-resistant components. Two single-phase solid solution powders, non-high-entropy (Ti0.83,W0....

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Crystals - ISSN 2073-4352