Glass Physics and Chemistry最新文献

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Cluster Self-Organization of Intermetallic Systems: K3, K4, and K6 Clusters-Precursors for the Self-Assembly of Crystal Structures of the Ce4Pt14Si8-oP52 and Ce6Pd8Sn12-oP52 Family 金属间化合物体系的团簇自组织:K3、K4和K6团簇——Ce4Pt14Si8-oP52和Ce6Pd8Sn12-oP52家族晶体结构自组装的前驱体
IF 0.8 4区 材料科学
Glass Physics and Chemistry Pub Date : 2025-03-23 DOI: 10.1134/S1087659624600844
V. Ya. Shevchenko, G. D. Ilyushin
{"title":"Cluster Self-Organization of Intermetallic Systems: K3, K4, and K6 Clusters-Precursors for the Self-Assembly of Crystal Structures of the Ce4Pt14Si8-oP52 and Ce6Pd8Sn12-oP52 Family","authors":"V. Ya. Shevchenko,&nbsp;G. D. Ilyushin","doi":"10.1134/S1087659624600844","DOIUrl":"10.1134/S1087659624600844","url":null,"abstract":"<p>Using computer methods (ToposPro software package), a combinatorial-topological analysis and modeling of the self-assembly of crystalline structures of the Ce<sub>4</sub>Pt<sub>14</sub>Si<sub>8</sub>-<i>oP</i>52 (<i>a</i> = 19.633 Å, <i>b</i> = 4.036 Å, <i>c</i> = 11.224 Å, <i>V</i> = 889.4 Å<sup>3</sup>) and Ce<sub>6</sub>Pd<sub>8</sub>Sn<sub>12</sub>-<i>oP</i>52 (<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>) family are carried out. For the crystal structure of Ce<sub>4</sub>Pt<sub>14</sub>Si<sub>8</sub>-<i>oP</i>52, 21 variants of the allocation of cluster structures with the number of clusters <i>N</i> = 2 (6 variants) and 3 (9 variants), and 3 (6 variants) are established. A variant of the self-assembly of a crystal structure with the participation of clusters-precursors forming the following packing is considered: double tetrahedra <i>K</i>6 = 0@6 (Ce<sub>2</sub>Pt<sub>2</sub>Si<sub>2</sub>) with symmetry <i>g</i> = –1, tetrahedra <i>K</i>4 = 0@4 (CePt<sub>2</sub>Si), and rings <i>K</i>3 = 0@3 (Pt<sub>2</sub>Si). For the crystal structure of Ce<sub>6</sub>Pd<sub>8</sub>Sn<sub>12</sub>-<i>oP</i>52, 27 variants of the allocation of cluster structures with the number of clusters <i>N</i> = 2 (6 variants), 3 (11 variants), and 4 (10 variants) are established. A variant of the self-assembly of a crystal structure with the participation of clusters-precursors forming the following packing is considered: double tetrahedra <i>K</i>6 = 0@6 (Ce<sub>2</sub>Pd<sub>2</sub>Sn<sub>2</sub>) with symmetry <i>g</i> = –1, rings <i>K</i>3 = 0@3 (CePdSn), rings <i>K</i>3 = 0@3 (PdSn<sub>2</sub>), and spacer atoms Sn. The symmetry and topology code of the self-assembly processes of 3D Ce<sub>4</sub>Pt<sub>14</sub>Si<sub>8</sub>-<i>oP</i>52 and Ce<sub>6</sub>Pd<sub>8</sub>Sn<sub>12</sub>-<i>oP</i>52 structures are reconstructed from clusters-precursors in the following form: primary chain → layer → framework.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"50 5","pages":"453 - 460"},"PeriodicalIF":0.8,"publicationDate":"2025-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143676501","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
Precursors of Al2O3–ZrO2–LnxOy Oxide Systems Obtained Using Electrogenerated Reagents 电生成试剂制备Al2O3-ZrO2-LnxOy氧化物体系的前驱体
IF 0.8 4区 材料科学
Glass Physics and Chemistry Pub Date : 2025-03-23 DOI: 10.1134/S1087659624600479
E. V. Petrova, A. F. Dresvyannikov, L. I. Kashfrazyeva
{"title":"Precursors of Al2O3–ZrO2–LnxOy Oxide Systems Obtained Using Electrogenerated Reagents","authors":"E. V. Petrova,&nbsp;A. F. Dresvyannikov,&nbsp;L. I. Kashfrazyeva","doi":"10.1134/S1087659624600479","DOIUrl":"10.1134/S1087659624600479","url":null,"abstract":"<p>Scientific principles for the synthesis of precursors of nanostructured oxide systems Al<sub>2</sub>O<sub>3</sub>–ZrO<sub>2</sub>–Ln<sub><i>x</i></sub>O<sub><i>y</i></sub> ((Ln = Dy, Nd) are developed. The features of their formation under conditions of rapid mixing of electrogenerated reagents, implemented in a diaphragm-free coaxial reactor-electrolyzer, are studied. The methods of potentiodynamic polarization curves, X-ray diffractometry, X-ray fluorescence, synchronous thermal analysis, and laser diffraction are used to study the anodic processes occurring in the electrolyzer, the morphology of particles formed in the solution and transformed during heat treatment, as well as the phase, granulometric, and elemental compositions of precursors and oxide systems. The proposed approach allows obtaining oxide systems modified with rare earth elements based on the Al<sub>2</sub>O<sub>3</sub>–ZrO<sub>2</sub> binary system, characterized by the presence of a stabilized phase of tetragonal zirconium dioxide. REE atoms present in the studied systems—Nd and Dy—stabilize <i>t</i>-ZrO<sub>2</sub> and, apparently, occupy the positions of crystal lattice nodes, isomorphically replacing Zr<sup>4+</sup>. The latter is indicated by the broadening of the corresponding reflections of X‑ray diffraction patterns. It indirectly indicates the presence of microstresses in the microcrystals of the phases. The latter can be caused by distortions of the crystal lattices of aluminum and zirconium oxides as a result of the substitution of metal atoms by REE atoms.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"50 6","pages":"660 - 667"},"PeriodicalIF":0.8,"publicationDate":"2025-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143676411","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, Dielectric and AC Conductivity Studies of Alkaline Earth Borobismuthate Glasses Doped with Transition Metal Ions 掺杂过渡金属离子的碱土硼铋酸盐玻璃的热、介电和交流电导率研究
IF 0.8 4区 材料科学
Glass Physics and Chemistry Pub Date : 2025-03-03 DOI: 10.1134/S1087659624600133
Pavan Kumar Pothuganti, Ashok Bhogi, Boora Srinivas, Muralidhara Reddy Kalimi, Padmasuvarna Renuguntla
{"title":"Thermal, Dielectric and AC Conductivity Studies of Alkaline Earth Borobismuthate Glasses Doped with Transition Metal Ions","authors":"Pavan Kumar Pothuganti,&nbsp;Ashok Bhogi,&nbsp;Boora Srinivas,&nbsp;Muralidhara Reddy Kalimi,&nbsp;Padmasuvarna Renuguntla","doi":"10.1134/S1087659624600133","DOIUrl":"10.1134/S1087659624600133","url":null,"abstract":"<p>Glasses containing compositions of BaO–Bi<sub>2</sub>O<sub>3</sub>–B<sub>2</sub>O<sub>3</sub>–TMI (V<sub>2</sub>O<sub>5</sub>, MnO) were prepared and subjected to thorough analysis through differential scanning calorimetry (DSC), dielectric measurements and AC conductivity studies. The DSC investigations unveiled a noteworthy trend of an increase in TMI content correlated with a decrease in the glass transition temperature. Delving deeper into the properties of the prepared samples, the frequency dependence of dielectric constant and dielectric loss were explored. The investigation uncovered that AC conductivity experiences an augmentation at low and intermediate frequencies, plateauing at higher frequencies. Addition of TMI into the glass network induced a discernible rise in AC conductivity. Further investigation of the samples revealed a non-Debye behavior, a conclusion substantiated by the suppressed Cole–Cole plots and corroborated by electric modulus studies. Intriguingly, the addition of a minute concentration of TMI, whether it is vanadium or manganese, did not exert an influence on the relaxation time of ions. However, it exerts an impact on the dissipation energy of the samples, thus attesting to the nuanced and specific role played by TMI in modulating the electrical properties of the glass network.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"50 4","pages":"374 - 389"},"PeriodicalIF":0.8,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143533045","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
Annealing Time-Driven Steering of the Structural, Morphological and Optoelectronic Characteristics of Zn-Doped TiO2 Nanostructures 退火时间驱动控制zn掺杂TiO2纳米结构的结构、形态和光电特性
IF 0.8 4区 材料科学
Glass Physics and Chemistry Pub Date : 2025-03-03 DOI: 10.1134/S1087659624600224
C. John Clement Singh, S. C. Jeyakumar, S. Murugavel, Abdulrahman I. Almansour, S. Sahaya Jude Dhas, Sivakumar Aswathappa, C. S. Biju
{"title":"Annealing Time-Driven Steering of the Structural, Morphological and Optoelectronic Characteristics of Zn-Doped TiO2 Nanostructures","authors":"C. John Clement Singh,&nbsp;S. C. Jeyakumar,&nbsp;S. Murugavel,&nbsp;Abdulrahman I. Almansour,&nbsp;S. Sahaya Jude Dhas,&nbsp;Sivakumar Aswathappa,&nbsp;C. S. Biju","doi":"10.1134/S1087659624600224","DOIUrl":"10.1134/S1087659624600224","url":null,"abstract":"<p>The ability to tailor the bandgap in semiconductor nanostructures from the ultraviolet to visible range is imperative in various light-mediated optoelectronic applications. In this work, Zn-doped TiO<sub>2</sub> nanostructures were prepared and annealed at 350°C for different time intervals such as 1, 2, and 3 h to tailor the band gap. The effects of annealing time on the structural and optical properties of Zn-doped TiO<sub>2</sub> nanostructures were investigated. According to XRD studies, increasing the annealing time authenticates that the dislocation density in the nanostructures decreases, whereas the crystallite size increases. TEM image of the sample annealed at 350°C for 3 h shows the average grain size distribution as 12.33 ± 0.12 nm. The XPS spectrum of the nanostructures that underwent a 3 h annealing at 350°C reveals a broad peak centered at 1021.06 eV, which indicates the Zn<sup>2+</sup> oxidation state of Zn atoms. The photoluminescence studies indicate that the intensity of UV-visible luminescence bands changes with a rise in annealing time. UV-visible spectroscopic analysis reveals that the band gap increases from 3.32 to 3.36 eV and then decreases to 3.25 eV when the annealing time is raised linearly. Moreover, Zn-doped TiO<sub>2</sub> that has been annealed at 350°C for 3 h has a red shift in the absorption edge and a reduction in the optical band gap, suggesting that it may find application in optoelectronic devices.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"50 4","pages":"418 - 427"},"PeriodicalIF":0.8,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143533219","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
On One Fundamental Property of the Contact (Impact) of Rigid Elastic Bodies 刚弹性体接触(冲击)的一个基本性质
IF 0.8 4区 材料科学
Glass Physics and Chemistry Pub Date : 2025-03-03 DOI: 10.1134/S1087659624600972
V. Ya. Shevchenko, A. S. Oryschenko, S. N. Perevislov
{"title":"On One Fundamental Property of the Contact (Impact) of Rigid Elastic Bodies","authors":"V. Ya. Shevchenko,&nbsp;A. S. Oryschenko,&nbsp;S. N. Perevislov","doi":"10.1134/S1087659624600972","DOIUrl":"10.1134/S1087659624600972","url":null,"abstract":"<p>If we assume that two bodies are in contact and only the pressure between them changes, then the deformation of the material changes proportionally to the cube root of our pressure (Heinrich Hertz, 1884<sup>1</sup>). The convergence of elastic bodies is proportional to the pressure to the power of 2/3, and not to the pressure to the power of one (M.S. Leibenson, 1947<sup>2</sup>). Let us point out that the dependence of the form <i>h</i> = const <i>F</i> <sup>2/3</sup> or <i>F</i> = const <i>h</i><sup>3/2</sup> occurs not only for balls but also when other finite bodies come into contact (L.D. Landau and E.M. Lifshitz, 1953<sup>3</sup>).</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"50 4","pages":"341 - 346"},"PeriodicalIF":0.8,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143533042","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
Vapor Formation and Thermodynamic Properties of Melts of the BaO–Al2O3–SiO2 System BaO-Al2O3-SiO2体系熔体的气相形成及热力学性质
IF 0.8 4区 材料科学
Glass Physics and Chemistry Pub Date : 2025-03-03 DOI: 10.1134/S1087659624600492
E. A. Balabanova, S. I. Lopatin, N. G. Tyurnina, Z. G. Tyurnina, S. M. Shugurov, I. G. Polyakova, D. A. Repin
{"title":"Vapor Formation and Thermodynamic Properties of Melts of the BaO–Al2O3–SiO2 System","authors":"E. A. Balabanova,&nbsp;S. I. Lopatin,&nbsp;N. G. Tyurnina,&nbsp;Z. G. Tyurnina,&nbsp;S. M. Shugurov,&nbsp;I. G. Polyakova,&nbsp;D. A. Repin","doi":"10.1134/S1087659624600492","DOIUrl":"10.1134/S1087659624600492","url":null,"abstract":"<p>The processes of vaporization and thermodynamic properties of melts of the BaO–Al<sub>2</sub>O<sub>3</sub>–SiO<sub>2</sub> system are studied using the method of high-temperature differential mass spectrometry in the concentration range from 90 to 10 mol % BaO and molar ratio of <i>x</i>(Al<sub>2</sub>O<sub>3</sub>) : <i>y</i>(SiO<sub>2</sub>), equal to 3 : 2, 1 : 1, and 1 : 2. The samples are evaporated from Knudsen effusion cells made of tungsten. The partial pressures of gaseous species, activities of condensed phase components, Gibbs energies, and excess Gibbs energies are determined. It is established that the studied system is characterized by a negative deviation from ideal behavior.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"50 4","pages":"402 - 410"},"PeriodicalIF":0.8,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143533221","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
Toxicity of Quartzoid Glasses Containing Cesium 含铯石英玻璃的毒性
IF 0.8 4区 材料科学
Glass Physics and Chemistry Pub Date : 2025-03-03 DOI: 10.1134/S1087659624600960
T. A. Tsyganova, A. Sokolov, Ya. P. Lushankin, M. V. Staritsyn, L. N. Kurilenko, I. N. Anfimova
{"title":"Toxicity of Quartzoid Glasses Containing Cesium","authors":"T. A. Tsyganova,&nbsp;A. Sokolov,&nbsp;Ya. P. Lushankin,&nbsp;M. V. Staritsyn,&nbsp;L. N. Kurilenko,&nbsp;I. N. Anfimova","doi":"10.1134/S1087659624600960","DOIUrl":"10.1134/S1087659624600960","url":null,"abstract":"<p>This paper presents the results of a study of the toxicity of high-silica quartzoid glasses (QGs) containing cesium, obtained on the basis of two-phase alkali borosilicate glass. It is established that the toxicity of the studied QGs in relation to <i>Paramecium caudatum</i> does not exceed the permissible level and varies depending on the content of alkaline ions in the QG and the time of contact of fine QG powder with water. It is assumed that the identified toxicity is associated primarily with the extraction of sodium and cesium ions into the aqueous solution.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"50 4","pages":"398 - 401"},"PeriodicalIF":0.8,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143533220","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
Structural Characteristics and Thermal Properties of Bioactive Glasses Doped with Boron Oxide 氧化硼掺杂生物活性玻璃的结构特征和热性能
IF 0.8 4区 材料科学
Glass Physics and Chemistry Pub Date : 2025-03-03 DOI: 10.1134/S1087659623601120
Madival Harish, M. Chethan, M. Sudhakara Reddy, Asha Rajiv
{"title":"Structural Characteristics and Thermal Properties of Bioactive Glasses Doped with Boron Oxide","authors":"Madival Harish,&nbsp;M. Chethan,&nbsp;M. Sudhakara Reddy,&nbsp;Asha Rajiv","doi":"10.1134/S1087659623601120","DOIUrl":"10.1134/S1087659623601120","url":null,"abstract":"<p>Bioactive glasses with a composition of (80 – <i>x</i>)NaPO<sub>3</sub>–<i>x</i>B<sub>2</sub>O<sub>3</sub>–5CaF<sub>2</sub>–15MgO, where <i>x</i> varies from 20 to 40 mol % were prepared through the melt quench technique. To examine the amorphous characteristics of the glasses and any structural modifications, X-ray diffraction (XRD) and Fourier-transform infrared spectroscopy (FTIR) analysis were conducted, respectively. The density of the fabricated glasses decreased as the B<sub>2</sub>O<sub>3</sub> composition ranged from 20 to 40 mol %. Furthermore, the glasses were immersed in simulated body fluid (SBF) solution for 21 days for in vitro bioactivity studies. After this period, the development of apatite on the glass surfaces was assessed through XRD, FTIR, scanning electron microscope (SEM), and energy dispersive X-ray spectroscopy (EDX) technique. The EDX analysis reveals an elevation in the levels of boron and calcium in the glasses that were immersed in the SBF solution for 21 days. This increase underscores the material’s bioactivity and its potential to facilitate bone regeneration and ensure long-term stability. These findings position it as a promising material for use in applications related to bone regeneration and tissue engineering. The thermal properties of the glasses were analyzed through differential scanning calorimetry (DSC), and the glass transition temperature (<i>T</i><sub>g</sub>) was determined. Interestingly, the prepared glasses revealed the presence of a boron anomaly. By systematically varying the level of B<sub>2</sub>O<sub>3</sub> to NaPO<sub>3</sub> substitutions in the glass system, the effect of composition on several important properties is elucidated.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"50 4","pages":"363 - 373"},"PeriodicalIF":0.8,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143533263","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
Synthesis of Hydroxyapatite Substituted by REE Ions (La3+, Ce3+), and Study of the Composition, Structure, and Properties of the Obtained Samples 稀土离子(La3+, Ce3+)取代羟基磷灰石的合成及其组成、结构和性能研究
IF 0.8 4区 材料科学
Glass Physics and Chemistry Pub Date : 2025-03-03 DOI: 10.1134/S1087659624600947
O. A. Golovanova
{"title":"Synthesis of Hydroxyapatite Substituted by REE Ions (La3+, Ce3+), and Study of the Composition, Structure, and Properties of the Obtained Samples","authors":"O. A. Golovanova","doi":"10.1134/S1087659624600947","DOIUrl":"10.1134/S1087659624600947","url":null,"abstract":"<p>Substituted apatites with a varying content of La<sup>3+</sup> and Ce<sup>3+</sup> ions are synthesized. The formation of substituted hydroxyapatite (La-HA, Ce-HA) is proved by XRD and IR spectroscopy. The change in the crystal lattice parameters of the synthesized phases is shown, which indicates the replacement of Ca<sup>2+</sup> ions by REE ions in the hydroxyapatite structure. The presence of REE ions in solid phases is proved by ICP–AES. When studying the resorption of the synthesized samples, it is found that cation-substituted hydroxyapatites are less soluble than undoped HA.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"50 4","pages":"444 - 452"},"PeriodicalIF":0.8,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143533044","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: New Clusters-Precursors K3, K4, K6, and K11 for the Self-Assembly of Crystal Structures of the Li40P4Ge20-oP64 and Ti40P24-oP64 Families 金属间化合物体系的团簇自组织:Li40P4Ge20-oP64和Ti40P24-oP64家族自组装晶体结构的新团簇前体K3、K4、K6和K11
IF 0.8 4区 材料科学
Glass Physics and Chemistry Pub Date : 2025-03-03 DOI: 10.1134/S1087659624600984
V. Ya. Shevchenko, G. D. Ilyushin
{"title":"Cluster Self-Organization of Intermetallic Systems: New Clusters-Precursors K3, K4, K6, and K11 for the Self-Assembly of Crystal Structures of the Li40P4Ge20-oP64 and Ti40P24-oP64 Families","authors":"V. Ya. Shevchenko,&nbsp;G. D. Ilyushin","doi":"10.1134/S1087659624600984","DOIUrl":"10.1134/S1087659624600984","url":null,"abstract":"<p>Using computer methods (ToposPro software package), a combinatorial-topological analysis and modeling of the self-assembly of Li<sub>40</sub>P<sub>4</sub>Ge<sub>20</sub>-<i>oP</i>64 (<i>V</i> = 1082.85 Å<sup>3</sup>, <i>Pnma</i>) and Ti<sub>40</sub>P<sub>24</sub>-<i>oP</i>64 (<i>V</i> = 955.14 Å<sup>3</sup>, <i>Pnma</i>) crystalline structures is carried out. For the crystal structure of Li<sub>40</sub>P<sub>4</sub>Ge<sub>20</sub>-<i>oP64</i>, 36 variants of the identification of cluster structures with the number of clusters <i>N</i> = 2, 3, and 4 are established. The self-assembly of a crystal structure with the participation of clusters-precursors <i>K</i>11 = 0@11(Li<sub>5</sub>(LiGe<sub>5</sub>)) is considered in the form of pentagonal pyramids LiGe<sub>5</sub> with five Li atoms located on five faces of the pyramid, rings <i>K</i>3 = @3(Li<sub>2</sub>P), and Li spacer atoms. For the crystal structure of Ti<sub>40</sub>P<sub>24</sub>-<i>oP64</i>, 55 variants of the identification of cluster structures with the number of clusters <i>N</i> = 2, 3, 4, and 6 are established. The self-assembly of a crystal structure involving clusters-precursors in the form of six-atom double tetrahedra, <i>K</i>6(4a) = 0@6(Ti<sub>4</sub>P<sub>2</sub>), <i>K</i>6(4b) = 0@6 (Ti<sub>4</sub>P<sub>2</sub>), three-atom rings <i>K</i>3 = 0@3(TiP<sub>2</sub>) and <i>K</i>3 = 0@3(Ti<sub>2</sub>P), and tetrahedrons <i>K</i>4 = 0@4 (Ti<sub>3</sub>P) is considered. The symmetric and topological code of the self-assembly processes of 3D Li<sub>40</sub>P<sub>4</sub>Ge<sub>20</sub>-<i>oP</i>64 and Ti<sub>40</sub>P<sub>24</sub>-<i>oP64</i> structures from clusters-precursors is reconstructed in the following form: primary chain → layer → framework.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"50 4","pages":"331 - 340"},"PeriodicalIF":0.8,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143533043","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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