Glass Physics and Chemistry最新文献

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Transition from Ductility to Brittleness in the Micromechanics of Impact Damage of ZnS and ZnSe Ceramics ZnS和ZnSe陶瓷冲击损伤微观力学中的延性向脆性转变
IF 0.6 4区 材料科学
Glass Physics and Chemistry Pub Date : 2025-08-12 DOI: 10.1134/S108765962560005X
I. P. Shcherbakov, A. A. Dunaev, A. E. Chmel’
{"title":"Transition from Ductility to Brittleness in the Micromechanics of Impact Damage of ZnS and ZnSe Ceramics","authors":"I. P. Shcherbakov,&nbsp;A. A. Dunaev,&nbsp;A. E. Chmel’","doi":"10.1134/S108765962560005X","DOIUrl":"10.1134/S108765962560005X","url":null,"abstract":"<p>Time series of acoustic emission (AE) pulses are excited by dropping a load onto samples of ductile-brittle ZnS and ZnSe ceramics. AE activity is recorded in two frequency windows of 100–200 and 400–800 kHz. In both ceramics, low-frequency emission occurred from the moment the load is applied; the high-frequency signal appears with a time delay of 100–150 μs. Statistical analysis of the pulse series reveals a qualitative difference in emissions in the specified frequency zones. The energy distribution of pulses emitted in the 100–200 kHz range follows a random poissonian-type dependence, whereas the AE series in the 400–800 kHz range shows a correlated accumulation of microdamage. Activity in the low-frequency region appears at the initial stage of failure (plastic flow) and is attributed to dislocation glide. When the ultimate deformation is reached, a brittle accumulation of interacting microcracks occurs. The described procedure for analyzing the process of damage development under impact loading allows one to determine the transition point from the disordered degradation of the structure of ductile-brittle materials to cooperative, brittle destruction.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"51 2","pages":"211 - 216"},"PeriodicalIF":0.6,"publicationDate":"2025-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144832167","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}
引用次数: 0
Viscosity Characteristics of Glasses of the Na2O–K2O–B2O3–SiO2 System na20 - k20 - b2o3 - sio2体系玻璃的粘度特性
IF 0.6 4区 材料科学
Glass Physics and Chemistry Pub Date : 2025-08-12 DOI: 10.1134/S1087659624600595
M. V. Dyadenko, I. A. Levitskii, E. V. Gabalov
{"title":"Viscosity Characteristics of Glasses of the Na2O–K2O–B2O3–SiO2 System","authors":"M. V. Dyadenko,&nbsp;I. A. Levitskii,&nbsp;E. V. Gabalov","doi":"10.1134/S1087659624600595","DOIUrl":"10.1134/S1087659624600595","url":null,"abstract":"<p>The results of a comparative study of the viscosity characteristics of borosilicate glasses of the Na<sub>2</sub>O–K<sub>2</sub>O–B<sub>2</sub>O<sub>3</sub>–SiO<sub>2</sub> system with different ratio values <i>R</i> = (Na<sub>2</sub>O + K<sub>2</sub>O)/B<sub>2</sub>O<sub>3</sub> and <i>K</i> = SiO<sub>2</sub>/B<sub>2</sub>O<sub>3</sub> are presented. Using infrared spectroscopy, the difference in the structural role of B<sub>2</sub>O<sub>3</sub> in glasses of multiboron and highly alkaline compositions, which is reflected in the nature of the change in the viscosity indices of borosilicate glasses of the Na<sub>2</sub>O–K<sub>2</sub>O–B<sub>2</sub>O<sub>3</sub>–SiO<sub>2</sub> system in areas with <i>R</i> &gt; 1 and <i>R</i> &lt; 1, is confirmed.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"51 2","pages":"155 - 162"},"PeriodicalIF":0.6,"publicationDate":"2025-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144832170","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}
引用次数: 0
Stereolithographic 3D Printing of BaSO4: Composites and Ceramics BaSO4的立体光刻3D打印:复合材料和陶瓷
IF 0.6 4区 材料科学
Glass Physics and Chemistry Pub Date : 2025-08-12 DOI: 10.1134/S1087659624601308
L. V. Ermakova, A. M. Sergeev, O. Yu. Koval’, P. S. Sokolov
{"title":"Stereolithographic 3D Printing of BaSO4: Composites and Ceramics","authors":"L. V. Ermakova,&nbsp;A. M. Sergeev,&nbsp;O. Yu. Koval’,&nbsp;P. S. Sokolov","doi":"10.1134/S1087659624601308","DOIUrl":"10.1134/S1087659624601308","url":null,"abstract":"<p>Highly filled (up to 55 vol %) low-viscosity (less than 3 Pa s) photocurable suspensions based on micrometer powders of barium sulfate and 1,6-hexanediol diacrylate, suitable for stereolithographic 3D printing, are produced. The 3D printing of high-resolution planar mesh structures using a digital light-emitting diode projection (DLP) is experimentally demonstrated. From the obtained composite objects, dense ceramics of a complex architecture with a hole of up to 550 µm and thin walls of up to 300 µm are produced by burning and subsequent sintering at 850°C. When studying the optical characteristics of ceramics with optically active additives, the characteristic features of both cerium ions Ce<sup>3+</sup> and Eu<sup>2+</sup>, as well as the built-in carbon, are demonstrated.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"51 2","pages":"204 - 210"},"PeriodicalIF":0.6,"publicationDate":"2025-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144832101","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}
引用次数: 0
Thermomechanical and Mechanical Properties of Titanium Dioxide Pigmented Polycarbonate: Impact of Thickness Free Quenching and Activation Energy for Αlpha Relaxation Mode 二氧化钛色素聚碳酸酯的热机械性能:厚度、自由淬火和Αlpha弛豫模式活化能的影响
IF 0.6 4区 材料科学
Glass Physics and Chemistry Pub Date : 2025-08-12 DOI: 10.1134/S1087659624601163
Derradji Dadache, Brahim Barka, Farid Rouabah, Abdeslam Bencid
{"title":"Thermomechanical and Mechanical Properties of Titanium Dioxide Pigmented Polycarbonate: Impact of Thickness Free Quenching and Activation Energy for Αlpha Relaxation Mode","authors":"Derradji Dadache,&nbsp;Brahim Barka,&nbsp;Farid Rouabah,&nbsp;Abdeslam Bencid","doi":"10.1134/S1087659624601163","DOIUrl":"10.1134/S1087659624601163","url":null,"abstract":"<p>Researchers investigated into how thickness and quenching temperature affect the mechanical and thermomechanical properties of titanium dioxide-pigmented polycarbonate. By using compression molding, specimens free of morphological effects have been generated. Dynamic mechanical analysis was used to evaluate plates with thicknesses of 0.6, 1, 2, and 3 mm under flexion, Izod impact strength, density, and tensile testing. Two distinct heat treatments annealing and second quenching were applied. The results indicate that a second quenching at 40°C for samples 3 mm thick and 35°C for samples 2 mm thick can enhance the impact strength and elongation at break, and a relationship between the mechanical, physical, and thermomechanical properties is detected. At the expense of other characteristics like elastic modulus, density, and yield stress, these properties are improved. A relaxation mode about 30°C is associated with improved impact strength and elongation at break following the second quench.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"51 2","pages":"169 - 183"},"PeriodicalIF":0.6,"publicationDate":"2025-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144832018","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}
引用次数: 0
Investigation of Fritless Glazes for Using in Tile Industries 瓷砖工业用无熔釉的研究
IF 0.6 4区 材料科学
Glass Physics and Chemistry Pub Date : 2025-08-12 DOI: 10.1134/S108765962460011X
Zahra Mahmoudi, Hamid Reza Rezaie, Hossein Ghassai
{"title":"Investigation of Fritless Glazes for Using in Tile Industries","authors":"Zahra Mahmoudi,&nbsp;Hamid Reza Rezaie,&nbsp;Hossein Ghassai","doi":"10.1134/S108765962460011X","DOIUrl":"10.1134/S108765962460011X","url":null,"abstract":"<p>In this research, the process is presented to remove the solubility of raw materials in water instead of frittic process. Therefore a suitable glaze for single fast firing floor tile consisted of 80 wt % raw glaze and 20 wt % frit was considered. An initial batch of frittic glaze including silicate, calcite, soda, and acid boric becomes a low soluble compound first by melting and quenching in water (frittic process) and also by firing at different temperatures that firing causes the formation of low solubility phase. Then these glazes mixed with 80 wt % raw glaze. Glazes slip applied on the dried floor tile bodies and then fired in fast firing kiln. Properties of glazes (thermal expansion coefficient, <i>T</i><sub>g</sub>, micro-hardness) were compared. Also by X-ray diffraction analysis and solubility analysis proved low soluble phases formed in glaze by firing initial batch of frit at 800°C.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"51 2","pages":"163 - 168"},"PeriodicalIF":0.6,"publicationDate":"2025-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144832017","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}
引用次数: 0
Thermal and Chemical Stability of Composite Ceramic Matrices Based on Zircon 基于锆石的复合陶瓷基体热化学稳定性研究
IF 0.6 4区 材料科学
Glass Physics and Chemistry Pub Date : 2025-08-12 DOI: 10.1134/S1087659625600103
A. A. Akatov, V. L. Ugolkov, A. V. Osipov, L. P. Mezentseva, Y. S. Kudryashova, R. S. Abiev
{"title":"Thermal and Chemical Stability of Composite Ceramic Matrices Based on Zircon","authors":"A. A. Akatov,&nbsp;V. L. Ugolkov,&nbsp;A. V. Osipov,&nbsp;L. P. Mezentseva,&nbsp;Y. S. Kudryashova,&nbsp;R. S. Abiev","doi":"10.1134/S1087659625600103","DOIUrl":"10.1134/S1087659625600103","url":null,"abstract":"<p>Synthesis of precursor powders was performed by microreactor technique in a two-step microreactor with intensively swirled reagent flows. Ceramic samples (matrices) (1 – <i>х</i>)ZrSiO<sub>4</sub>‒<i>х</i>ZrO<sub>2</sub> were obtained by sintering nano-sized precursor powders in the 1000–1300°C temperature range in air. X-ray phase analysis has shown that at a temperature of 1300°C, partial decomposition of zircon was observed with the formation of a silicon oxide. Their thermal behavior was studied by dilatometry, and the temperature coefficient of linear expansion was accessed. The chemical stability of the obtained ceramic matrices was evaluated by the method of prolonged leaching in distilled water, more precisely, by the release into the contact liquid of both matrix components (Zr, Si) and specially introduced radionuclides (<sup>137</sup>Cs, <sup>90</sup>Sr, <sup>152</sup>Eu). The samples exhibited sufficiently high chemical stability, which allows us to consider them as a possible matrix material for immobilization of high-level waste.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"51 2","pages":"195 - 203"},"PeriodicalIF":0.6,"publicationDate":"2025-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144832020","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}
引用次数: 0
Cluster Self-Organization of Intermetallic Systems: K3, K4, and K6 Clusters-Precursors for the Self-Assembly of Li28Cu4Si8-oP40, La12Rh12Al16-oP40, and Ca8Pt12Sn20-oP40 Crystal Structures 金属间化合物体系的团簇自组织:K3、K4和K6团簇——Li28Cu4Si8-oP40、La12Rh12Al16-oP40和Ca8Pt12Sn20-oP40晶体结构自组装的前体
IF 0.6 4区 材料科学
Glass Physics and Chemistry Pub Date : 2025-07-16 DOI: 10.1134/S1087659624601151
V. Ya. Shevchenko, G. D. Ilyushin
{"title":"Cluster Self-Organization of Intermetallic Systems: K3, K4, and K6 Clusters-Precursors for the Self-Assembly of Li28Cu4Si8-oP40, La12Rh12Al16-oP40, and Ca8Pt12Sn20-oP40 Crystal Structures","authors":"V. Ya. Shevchenko,&nbsp;G. D. Ilyushin","doi":"10.1134/S1087659624601151","DOIUrl":"10.1134/S1087659624601151","url":null,"abstract":"<p>Using computer methods (the ToposPro software package), a combinatorial-topological analysis and modeling of the self-assembly of Li<sub>28</sub>Cu<sub>4</sub>Si<sub>8</sub>-<i>oP</i>40 (<i>a</i> = 7.969 Å, <i>b</i> = 4.449 Å, <i>c</i> = 17.244 Å, <i>V</i> = 611.46 Å<sup>3</sup>), La<sub>12</sub>Rh<sub>12</sub>Al<sub>16</sub>-<i>oP</i>40 (<i>a</i> = 26.949Å, <i>b</i> = 4.218Å, <i>c</i> = 7.267 Å, <i>V</i> = 826.05 Å<sup>3</sup>), and Ca<sub>8</sub>Pt<sub>12</sub>Sn<sub>20</sub>-<i>oP</i>40 (<i>a</i> = 27.701 Å, <i>b</i> = 4.614 Å, <i>c</i> = 9.371 Å, <i>V</i> = 1198.02 Å<sup>3</sup>) crystalline structures with the <i>Pnma</i> space group are carried out<i>.</i> For Li<sub>28</sub>Cu<sub>4</sub>Si<sub>8</sub>-<i>oP</i>40, the self-assembly of the crystal structure with the participation of supraclusters-trimers from <i>K</i>6(4a) = 0@6(Li<sub>4</sub>Cu<sub>2</sub>) clusters, two clusters <i>K</i>6(8d) = 0@6 (CuLi<sub>5</sub>), and Si spacer atoms is considered. For La<sub>12</sub>Rh<sub>12</sub>Al<sub>16</sub>-<i>oP</i>40, the self-assemblies of the crystal structure with the participation of <i>K</i>3(8d) = 0@3(LaRhAl) clusters and <i>K</i>6(4a) = 0@6(La<sub>2</sub>Rh<sub>2</sub>Al<sub>2</sub>) clusters from the linked LaRhAl clusters and <i>K</i>4(8d) = 0@4(LaRhAl<sub>2</sub>) clusters are considered. For Ca<sub>8</sub>Pt<sub>12</sub>Sn<sub>20</sub>-<i>oP</i>40, the self-assembly of the crystal structure from clusters-precursors in the form of the <i>K</i>6 = 0@6(CaSn<sub>3</sub>Pt<sub>2</sub>) double tetrahedra and <i>K</i>4 = 0@4(CaSn<sub>2</sub>Pt) tetrahedra is considered. The symmetry and topological code of the processes of the self-assembly of Li<sub>28</sub>Cu<sub>4</sub>Si<sub>8</sub>-<i>oP</i>40, La<sub>12</sub>Rh<sub>12</sub>Al<sub>16</sub>-<i>oP</i>40, and Ca<sub>8</sub>Pt<sub>12</sub>Sn<sub>20</sub>-<i>oP</i>40 from <i>K</i>3, <i>K</i>4, and <i>K</i>6 clusters-precursors are reconstructed in the following form: primary chain → layer → framework.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"51 1","pages":"15 - 23"},"PeriodicalIF":0.6,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145165656","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}
引用次数: 0
Photocatalytic Composite Based on Aluminum Silicate Wool 基于硅酸铝羊毛的光催化复合材料
IF 0.6 4区 材料科学
Glass Physics and Chemistry Pub Date : 2025-07-16 DOI: 10.1134/S1087659624601035
D. V. Bulyga, S. K. Evstropiev, D. A. Gavrilova, Yu. F. Podrukhin, K. V. Dukelskii, G. S. Polishchuk, I. V. Bagrov
{"title":"Photocatalytic Composite Based on Aluminum Silicate Wool","authors":"D. V. Bulyga,&nbsp;S. K. Evstropiev,&nbsp;D. A. Gavrilova,&nbsp;Yu. F. Podrukhin,&nbsp;K. V. Dukelskii,&nbsp;G. S. Polishchuk,&nbsp;I. V. Bagrov","doi":"10.1134/S1087659624601035","DOIUrl":"10.1134/S1087659624601035","url":null,"abstract":"<p>It is established that the ZnO–Al<sub>2</sub>O<sub>3</sub> oxide coating formed on the surface of aluminosilicate fibers contains hexagonal 13-nm ZnO crystals. The obtained composites demonstrate intense generation of singlet oxygen under the influence of UV radiation. Increasing the radiation power density provided a significant increase (+60%) in the intensity of singlet oxygen generation. It is established that the application of an oxide coating significantly accelerates the processes of adsorption of the aniline blue organic dye from aqueous solutions on the surface of fibers and its photocatalytic decomposition under the influence of near-UV radiation. The kinetics of the dye adsorption process are clearly described by a pseudo-second-order kinetic equation. The application of an oxide coating on the surface of the fibers significantly accelerates the photolysis processes of the dye in the solution. The photolytic decomposition rate of the dye in solution is described by a pseudo-second-order kinetic equation.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"51 1","pages":"93 - 101"},"PeriodicalIF":0.6,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145166648","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}
引用次数: 0
Influence of the Synthesis Conditions on the Properties of Powders and Ceramics Based on Zirconium Dioxide Partially Stabilized by Yttrium Oxide 合成条件对氧化钇部分稳定氧化锆粉体及陶瓷性能的影响
IF 0.6 4区 材料科学
Glass Physics and Chemistry Pub Date : 2025-07-16 DOI: 10.1134/S1087659624601357
N. Yu. Fedorenko, O. L. Belousova, S. V. Myakin, Yu. S. Kudryashova, T. V. Khamova, A. S. Dolgin, R. Sh. Abiev
{"title":"Influence of the Synthesis Conditions on the Properties of Powders and Ceramics Based on Zirconium Dioxide Partially Stabilized by Yttrium Oxide","authors":"N. Yu. Fedorenko,&nbsp;O. L. Belousova,&nbsp;S. V. Myakin,&nbsp;Yu. S. Kudryashova,&nbsp;T. V. Khamova,&nbsp;A. S. Dolgin,&nbsp;R. Sh. Abiev","doi":"10.1134/S1087659624601357","DOIUrl":"10.1134/S1087659624601357","url":null,"abstract":"<p>Xerogel in the ZrO<sub>2</sub>–Y<sub>2</sub>O<sub>3</sub> system s are obtained by using the traditional method of coprecipitation of hydroxides and in a microreactor with countercurrent intensely swirling flows of reagents. Their physical and chemical properties are studied. The patterns of influence of the synthesis method on the phase composition of powders and ceramics based on zirconium dioxide are revealed. Ceramic materials with high strength characteristics, consisting of a mixture of cubic and tetragonal modifications of ZrO<sub>2</sub> are obtained.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"51 1","pages":"111 - 118"},"PeriodicalIF":0.6,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145166646","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}
引用次数: 0
Cluster Self-Organization of Intermetallic Systems: K3, K4, and K6 Clusters-Precursors for the Self-Assembly of Y8Rh12Sn20-oS40, Lu16Zn20Ge24-oS60, and Ba8Ir16In52-oS76 Crystal Structures 金属间系统的团簇自组织:K3、K4和K6团簇——Y8Rh12Sn20-oS40、Lu16Zn20Ge24-oS60和Ba8Ir16In52-oS76晶体结构自组装的前驱体
IF 0.6 4区 材料科学
Glass Physics and Chemistry Pub Date : 2025-07-16 DOI: 10.1134/S1087659624601060
V. Ya. Shevchenko, G. D. Ilyushin
{"title":"Cluster Self-Organization of Intermetallic Systems: K3, K4, and K6 Clusters-Precursors for the Self-Assembly of Y8Rh12Sn20-oS40, Lu16Zn20Ge24-oS60, and Ba8Ir16In52-oS76 Crystal Structures","authors":"V. Ya. Shevchenko,&nbsp;G. D. Ilyushin","doi":"10.1134/S1087659624601060","DOIUrl":"10.1134/S1087659624601060","url":null,"abstract":"<p>Using computer methods (the ToposPro software package), combinatorial-topological analysis and modeling of the self-assembly of Y<sub>8</sub>Rh<sub>12</sub>Sn<sub>20</sub>-<i>oS</i>40 (<i>a</i> = 4.387 Å, <i>b</i> = 26.212 Å, <i>c</i> = 7.155Å, <i>V</i> = 822.77 Å<sup>3</sup>), Lu<sub>16</sub>Zn<sub>20</sub>Ge<sub>24</sub>-<i>oS</i>60 (<i>a</i> = 4.179 Å, <i>b</i> = 18.368 Å, <i>c</i> = 15.050 Å, <i>V</i> = 1155.24 Å<sup>3</sup>), and Ba<sub>8</sub>Ir<sub>16</sub>In<sub>52</sub>-<i>oS</i>76 (<i>a</i> = 4.485 Å, <i>b</i> = 29.052 Å, <i>c</i> = 13.687 Å, <i>V</i> = 1783.63 Å<sup>3</sup>) crystal structures with the <i>Cmc</i>2<sub>1</sub>(36) space group are carried out. For Y<sub>8</sub>Rh<sub>12</sub>Sn<sub>20</sub>-<i>oS</i>40, 18 variants for identifying cluster structures with the number of clusters <i>N</i> = 1 (variant 1), 2 (variant 11), and 3 (6 variants) are established. The variant of the self-assembly of a crystal structure with the participation of clusters-precursors forming the packing in the form of the <i>K</i>6 = 0@6(YSn<sub>3</sub>Rh<sub>2</sub>) and tetrahedra <i>K</i>4 = 0@4(YSn<sub>2</sub>Rh) double tetrahedra is considered. For Lu<sub>16</sub>Zn<sub>20</sub>Ge<sub>24</sub>-<i>oS</i>60, 66 variants are established for identifying cluster structures with the number of clusters <i>N</i> = 1 (1 variant), 2 (25 variants), 3 (20 variants), and 4 (20 variants). The variant of the self-assembly of a crystal structure with the participation of <i>K</i>3(D1) = 0@3(Lu Ge<sub>2</sub>), <i>K</i>3(D2) = 0@3(Lu Zn Ge), <i>K</i>3(D3) = 0@3(Lu Zn Ge), <i>K</i>3(D4) = 0@3Lu Zn Ge), and <i>K</i>3(D5) = 0@3(GeZn<sub>2</sub>) 3-atom clusters-precursors forming the packing is considered. For Ba<sub>8</sub>Ir<sub>16</sub>In<sub>52</sub>-<i>oS</i>76, 129 variants are established of the allocation of cluster structures with the number of clusters <i>N</i> = 2 (36 variants) and <i>N</i> = 3 (103 variants). The variant of the self-assembly of a crystal structure with the participation of the clusters-precursors forming the packing is considered: <i>K</i>6 = 0@6(BaIn5) pentagonal pyramids, <i>K</i>4a = 0@4(BaRhIn2) tetrahedra and <i>K</i>4b = 0@4(Rh<sub>2</sub>In2) tetrahedra, <i>K</i>3 = 0@4(RhIn<sub>2</sub>) rings, and In spacer atoms. The symmetry and topological code of the self-assembly processes of the Y<sub>8</sub>Rh<sub>12</sub>Sn<sub>20</sub>-<i>oS</i>40, Lu<sub>16</sub>Zn<sub>20</sub>Ge<sub>24</sub>-<i>oS</i>60, and Ba<sub>8</sub>Ir<sub>16</sub>In<sub>52</sub>-<i>oS</i>76 crystal structure from <i>K</i>3, <i>K</i>4, and <i>K</i>6 clusters-precursors in the following form is reconstructed: primary chain → layer → framework.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"51 1","pages":"1 - 14"},"PeriodicalIF":0.6,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145165659","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}
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