{"title":"A Chemical Crystal-Forming System. Hierarchy of Limiting Principles of Thermodynamics","authors":"V. I. Rakin","doi":"10.1134/S1063774524602673","DOIUrl":"10.1134/S1063774524602673","url":null,"abstract":"<p>Crystal growth in a heterohomogeneous chemical system can be described phenomenologically on the basis of the limiting principle of nonequilibrium thermodynamics. However, the existence of two mutually exclusive principles—maximum (Ziegler’s principle) and minimum (Prigogine’s principle) of entropy production density—creates a problem in thermodynamic analysis of real crystallization processes. As a result of experiments, the crystallization conditions for four calcium phosphate phases—monetite, brushite, octacalcium phosphate, and hydroxyapatite—in a closed solution–gel chemical system have been established, and a mathematical model of formation of an amorphous phase of calcium phosphate, serving as a precursor for crystalline phases, has been proposed. Three stages of system development are observed. The thermodynamic systems whose development obeys the Ziegler’s and Prigogine’s principles, are implemented at three characteristic scale levels: for a diffusion column of full volume; for the edge section of the Lisegang strip or the surface of a growing crystal with a boundary zone having a thickness of no more than 0.5 mm; and for the contact region of metastable and stable structural varieties of phosphate crystals up to 10 µm thick. The development times of quasi-closed and open systems range from 1 h to several days.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 7","pages":"1219 - 1232"},"PeriodicalIF":0.5,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145824367","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A. S. Elshin, E. D. Mishina, A. R. Valeeva, S. V. Senkevich, E. Yu. Kaptelov, M. V. Staritsyn, I. P. Pronin
{"title":"Anomalously High Lateral Polarization in Spherulitic Thin Films of Lead Zirconate Titanate","authors":"A. S. Elshin, E. D. Mishina, A. R. Valeeva, S. V. Senkevich, E. Yu. Kaptelov, M. V. Staritsyn, I. P. Pronin","doi":"10.1134/S1063774525600413","DOIUrl":"10.1134/S1063774525600413","url":null,"abstract":"<p>The factors that may cause the effect (found experimentally previously) of a strong change in the lateral projection of polarization (calculated based on second optical harmonic measurements) in thin polycrystalline spherulitic films of lead zirconate titanate with a change in the geometric sizes of perovskite blocks in the range from 10–15 to 35–40 µm have been considered. It is suggested that these changes are caused by the action of strong lateral stresses, leading to a change in the film microstructure, reorientation of the ferroelectric polarization in the directions maximally close to the substrate plane, and formation of induced polarization. The maximally possible contributions of these stresses to the observed effect, when the film composition is close to the morphotropic phase boundary from the side of the rhombohedral modification of the ferroelectric phase, are estimated.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 7","pages":"1201 - 1207"},"PeriodicalIF":0.5,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145824348","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
L. I. Trishkina, A. A. Klopotov, T. V. Cherkasova, A. I. Potekaev, V. I. Borodin
{"title":"Influence of Substructural and Solid-Solution Strengthenings on the Formation of a Defect Structure in Cu–Al and Cu–Mn Alloys","authors":"L. I. Trishkina, A. A. Klopotov, T. V. Cherkasova, A. I. Potekaev, V. I. Borodin","doi":"10.1134/S1063774525600905","DOIUrl":"10.1134/S1063774525600905","url":null,"abstract":"<p>The paper presents the results of studying the types of dislocation structures in polycrystalline Cu–Al and Cu–Mn alloys with different additives of the second element. The quantitative parameters of these structures were investigated at different degrees of deformation. The transmission electron microscopy (TEM) data are reported. Alloys of homogeneous solid solutions with different solid-solution strengthening were investigated. The role of the average scalar dislocation density is determined. The following parameters of the dislocation substructure were measured: the values of dislocation density in walls and in cells, the sizes of cells, and the width of their walls. The relationship between the dislocation structure parameters and the value of solid-solution strengthening during the accumulation of dislocations in the material after plastic deformation is established.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 7","pages":"1160 - 1169"},"PeriodicalIF":0.5,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145824373","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
S. E. Sarkisov, V. A. Yusim, Yu. V. Pisarevsky, V. G. Golubev
{"title":"Heavy Scintillators Based on Gadolinium-Containing Crystalline Fluorite Solid Solutions Activated by Ce3+ and Pr3+ Ions","authors":"S. E. Sarkisov, V. A. Yusim, Yu. V. Pisarevsky, V. G. Golubev","doi":"10.1134/S106377452560139X","DOIUrl":"10.1134/S106377452560139X","url":null,"abstract":"<p>In mixed crystals (solid solutions) with the fluorite structure <span>({text{C}}{{{text{a}}}_{{1-x}}}{text{G}}{{{text{d}}}_{x}}{{{text{F}}}_{{2 + x}}})</span>, doped with Ce<sup>3+</sup> and Pr<sup>3+</sup> ions, efficient energy transfer from the matrix Gd<sup>3+</sup> ions to the impurity rare-earth ions has been demonstrated. The process of energy transfer between Gd<sup>3+</sup> ions and impurity ions was studied to assess the potential of the gadolinium-containing matrix as a sensitizer for Се<sup>3+</sup> and Pr<sup>3+</sup> ions in order to create γ-radiation scintillators. The obtained results showed that Gd<sup>3+</sup> absorbs γ radiation and X-ray photons, increasing the emission of Се<sup>3+</sup> and Pr<sup>3+</sup> ions. X-ray luminescence studies with different contents (from 0.3 to 5.0 mol %) of the second matrix component GdF<sub>3</sub> in the mixed crystal and a low concentration (0.3 mol %) of rare-earth impurity ions showed that the resonant cross-relaxation mechanism of donor–acceptor energy transfer turns into migration mechanism (through the gadolinium sublattice to the impurity ion) with an increase in the content of donor ions (Gd<sup>3+</sup>). The obtained amplitude spectra showed an increase in the light yield with increasing the Gd<sup>3+</sup> content in the scintillator matrix.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 7","pages":"1180 - 1188"},"PeriodicalIF":0.5,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145824347","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
R. D. Tikhonov, G. D. Demin, A. A. Cheremisinov, M. R. Tikhonov
{"title":"Weak-Field Magnetization and Crystal Structure of Co–Ni–Fe Films Formed by Electrochemical Deposition from a Chloride Electrolyte","authors":"R. D. Tikhonov, G. D. Demin, A. A. Cheremisinov, M. R. Tikhonov","doi":"10.1134/S106377452560125X","DOIUrl":"10.1134/S106377452560125X","url":null,"abstract":"<p>Magnetic films for magnetic field concentrators should have high magnetic permeability. Reproducible electrochemical deposition of Co–Ni–Fe films with predominant face-centered cubic lattice and high gain of the weak magnetic field (related to their high magnetic permeability) was developed using a chloride electrolyte. The magnetic properties and structure of electrochemically deposited Co–Ni–Fe films with varying ratios of Co, Ni, and Fe atomic concentrations have been studied. Using the TREMAG alloy (Co<sub>60</sub>Ni<sub>20</sub>Fe<sub>20</sub>) as an example, it was established that its high permeability in weak magnetic fields is mainly determined by the crystal structure and the chosen stoichiometric composition of the Co–Ni–Fe film.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 7","pages":"1103 - 1115"},"PeriodicalIF":0.5,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145824381","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A. M. Banaru, K. G. Seravkin, A. A. Antonov, D. A. Banaru, S. M. Aksenov
{"title":"On the Least Number of Chemical Bonds Connecting the Structural Units in a Single Lattice Complex","authors":"A. M. Banaru, K. G. Seravkin, A. A. Antonov, D. A. Banaru, S. M. Aksenov","doi":"10.1134/S1063774525600310","DOIUrl":"10.1134/S1063774525600310","url":null,"abstract":"<p>Using the program code written in GAP language (with the same name in the computer algebra system), with the parallel computation dispatcher on Python script, the necessary and sufficient number of chemical bonds, which can connect the structural units occupying a single characteristic Wyckoff position in a 2D or 3D crystal, was calculated. The number obtained characterizes the number of structure-forming bonds that should be distinguished in the crystal structure when discussing X-ray diffraction data.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 7","pages":"1082 - 1088"},"PeriodicalIF":0.5,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145824378","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A. E. Gimaletdinova, E. S. Kuchaev, V. E. Gonialin, P. V. Egorova, S. A. Ryabov, M. S. Glazyrin, N. A. Smolyanova, N. S. Garaeva, D. D. Kuklina, Yu. L. Ryzhykau, M. M. Yusupov, K. S. Usachev
{"title":"Structural Studies of the ATP-Binding Protein EttA from the Pathogenic Bacterium Staphylococcus aureus by Small-angle X-ray Scattering","authors":"A. E. Gimaletdinova, E. S. Kuchaev, V. E. Gonialin, P. V. Egorova, S. A. Ryabov, M. S. Glazyrin, N. A. Smolyanova, N. S. Garaeva, D. D. Kuklina, Yu. L. Ryzhykau, M. M. Yusupov, K. S. Usachev","doi":"10.1134/S1063774525600632","DOIUrl":"10.1134/S1063774525600632","url":null,"abstract":"<p>ATPase EttA is the most common eubacterial protein of the ABC-F family, which facilitates the conformational transition of the ribosome from one state to another during elongation through a nucleotide-dependent interaction sensitive to the ATP/ADP ratio. Proteins of the ABC-F family confer resistance to antibiotics that bind in the peptidyltransferase center and the ribosomal tunnel; however, the details of the mechanism of action of this protein from <i>Staphylococcus aureus</i> are unclear. A comparison of the amino acid sequences of EttA proteins from <i>S. aureus</i>, <i>Mycobacterium tuberculosis</i>, and <i>Escherichia coli</i> indicates the presence of an additional 75 residues at the C-terminus of the protein, the function of which is unknown. The structure of the <i>Sa</i>EttA protein was analyzed using small-angle X-ray scattering, which revealed a distinct domain arrangement and additional density at the C-terminus of the protein.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 7","pages":"1137 - 1144"},"PeriodicalIF":0.5,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145824396","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
V. V. Krasnova, A. E. Muslimov, M. Kh. Gadzhiev, D. I. Yusupov, Y. V. Grigoriev, I. S. Volchkov, M. S. Abdulkerimov, F. F. Orudzhev, V. M. Kanevsky
{"title":"Thermal Stability of Phases in TiO2/ZnO Composite Microparticles Obtained by Plasma Synthesis","authors":"V. V. Krasnova, A. E. Muslimov, M. Kh. Gadzhiev, D. I. Yusupov, Y. V. Grigoriev, I. S. Volchkov, M. S. Abdulkerimov, F. F. Orudzhev, V. M. Kanevsky","doi":"10.1134/S1063774525601455","DOIUrl":"10.1134/S1063774525601455","url":null,"abstract":"<p>The thermal stability of the phase composition of TiO<sub>2</sub>/ZnO composite particles during the post-growth heat treatment has been investigated. TiO<sub>2</sub>/ZnO composite particles were synthesized by processing a metallic mixture of titanium and zinc microparticles in a low-temperature arc discharge plasma in argon under ambient conditions. The obtained materials were characterized using electron microscopy, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and Raman spectroscopy. It was found that the synthesized structures contain up to 40% of titanium dioxide polymorphs—anatase and brookite. During heat treatment at 300°C in air, zinc atoms are displaced from the TiO<sub>2</sub> lattice, accompanied by structural rearrangement of the oxide matrix. Annealing at temperatures of 500–700°C leads to coarsening of most of anatase crystallites and partial recrystallization of the rest into the rutile phase. Annealing at 900°C promotes the formation of zinc titanates (Zn<sub>2</sub>TiO<sub>4</sub> and Zn<sub>2</sub>Ti<sub>3</sub>O<sub>8</sub>), which act as catalysts for the anatase-to-rutile phase transition. Upon annealing at 950°C, the rutile monophase is stabilized in the synthesized samples. A simple and environmentally friendly method is thus proposed for the large-scale synthesis of TiO<sub>2</sub>/ZnO composite particles containing a high fraction (up to 40%) of anatase and brookite, which remain stable up to 700°C and can be effectively applied in photostimulated degradation processes of organic pollutants.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 7","pages":"1170 - 1179"},"PeriodicalIF":0.5,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145824374","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Effect of the SiC Film Thickness on the Morphology of Swift Heavy Ion Tracks","authors":"D. I. Zainutdinov, A. E. Volkov","doi":"10.1134/S1063774525601133","DOIUrl":"10.1134/S1063774525601133","url":null,"abstract":"<p>Parameters of tracks of swift heavy ions stopped in the electron energy loss regime in SiC films with a thickness of 10–100 nm have been determined. A model has been used that describes all stages of the track formation, from ionization and heating of the lattice (MC TREKIS-3) to its complete relaxation (classical molecular dynamics). Under irradiation by a 710-MeV Bi ion, surface nanohillocks are formed, the height of which increases with the film thickness <i>L</i>, attaining a constant value of 5.7 nm at <i>L ></i> 30 nm. Nanocavities surrounded by defect clusters remain along the ion trajectory over the entire volume of the films with <i>L</i> < 100 nm. In the 100 nm-thick film, a defect region near the surface is cone-shaped and extends to a depth of 35 nm.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 7","pages":"1194 - 1200"},"PeriodicalIF":0.5,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145824351","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
I. A. Filippov, A. A. Karmanov, N. D. Yakushova, I. A. Gubich, A. S. Kitaev, I. A. Pronin
{"title":"Investigation of the Contribution of Allotropic Modifications of Carbon to the Morphology and the Optical and Photocatalytic Properties of Nanostructured Zinc Oxide Films","authors":"I. A. Filippov, A. A. Karmanov, N. D. Yakushova, I. A. Gubich, A. S. Kitaev, I. A. Pronin","doi":"10.1134/S1063774525601030","DOIUrl":"10.1134/S1063774525601030","url":null,"abstract":"<p>Zinc oxide films doped with different allotropic modifications of carbon, such as carbon nanospheres, graphite, graphene oxide, and multilayer carbon nanotubes, were synthesized using the sol-gel technology. The scanning electron microscopy analysis of the surface morphology of the samples showed that in one of the allotropic modifications, carbon particles act as growth sites for zinc oxide branches, resulting in the hierarchically organized surface of the samples. Optical spectrophotometric measurements showed that in all cases there was a decrease in the band gap of the samples compared to undoped zinc oxide, as well as an increase in the energy of the Urbach tail, indicating an increase in the degree of energy disorder at the band edges. The observed complex non-monotonic dependence of the changes in the optical absorption of aqueous Nile blue A solutions during photocatalytic degradation may indicate the formation of stable intermediates, as confirmed by IR spectroscopy.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 7","pages":"1208 - 1218"},"PeriodicalIF":0.5,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145824366","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}