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Mechanoactivation of Clinoptilolites with Sodium and Ammonium Hydrophosphates to Improve Their Electrophysical Properties 氢磷酸钠和氢磷酸铵对斜沸石的机械活化改善其电物理性质
IF 0.7 4区 材料科学
Glass Physics and Chemistry Pub Date : 2023-07-01 DOI: 10.1134/S1087659623600059
O. N. Dabizha, T. P. Soloboeva, T. V. Khamova, O. A. Shilova
{"title":"Mechanoactivation of Clinoptilolites with Sodium and Ammonium Hydrophosphates to Improve Their Electrophysical Properties","authors":"O. N. Dabizha,&nbsp;T. P. Soloboeva,&nbsp;T. V. Khamova,&nbsp;O. A. Shilova","doi":"10.1134/S1087659623600059","DOIUrl":"10.1134/S1087659623600059","url":null,"abstract":"<p>The mechanochemical activation of zeolite (clinoptilolite and clinoptilolite–stilbite) rocks with acidic salts—sodium hydrogen phosphate and ammonium hydrogen phosphate—with the weight ratio of the initial components of 1 : 1 in an IVS-4 vibratory attritor (1500 rpm, 0.6 kW, specific power 4 W/g, steel grinding set) is studied. The structure, chemical and phase composition, and thermal stability of salt-modified zeolite samples are studied by infrared spectroscopy, atomic emission spectrometry, X-ray phase analysis, and differential scanning calorimetry. The specific volume resistance of pelletized samples is measured using a three-electrode circuit. It is established that the electrical conductivity of high-silica zeolite rocks modified with sodium and ammonium hydrophosphates is 2.2 × 10<sup>–6</sup> up to 2.4 × 10<sup>–5</sup> S m<sup>–1</sup> at 25°C. It is shown that the mechanochemical activation of clinoptilolite and clinoptilolite–stilbite rocks with sodium hydrogen phosphate in a vibratory attritor at a mechanical energy dose of 2.4 kJ/g increases the conductivity of mechanically activated zeolites by factors of 140 and 470 at 25°C, and by factors of 30 and 490 at 100°C, respectively. This allows us to consider mechanochemical activation as a promising method for improving the electrical properties of mineral materials.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"49 3","pages":"293 - 305"},"PeriodicalIF":0.7,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4031834","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
Disordering and Conversion of Lead Selenide into an Efficient Ferroelectric Based on Lead Selenite 基于亚硒酸铅的硒化铅无序化及转化为高效铁电体
IF 0.7 4区 材料科学
Glass Physics and Chemistry Pub Date : 2023-07-01 DOI: 10.1134/S1087659623600187
V. V. Tomaev, A. G. Syrkov, M. M. Sychev
{"title":"Disordering and Conversion of Lead Selenide into an Efficient Ferroelectric Based on Lead Selenite","authors":"V. V. Tomaev,&nbsp;A. G. Syrkov,&nbsp;M. M. Sychev","doi":"10.1134/S1087659623600187","DOIUrl":"10.1134/S1087659623600187","url":null,"abstract":"<p>An approach is proposed to reduce the stability of the cubic phase of lead selenide by thermal oxidation with atmospheric oxygen and its transformation into an ordered monoclinic phase of lead selenite. An estimated thermodynamic analysis (TA) of the course of possible chemical reactions of lead selenide oxidation with oxygen is carried out. The kinetics of lead selenide oxidation with atmospheric oxygen are studied by X-ray emission analysis, X-ray diffractometry, optical reflection in the infrared region of the spectrum, studies of conductivity in direct and alternating currents, and nuclear magnetic resonance. For the PbSeO<sub>3</sub> structure, the Goldschmidt stability factor was estimated and it was shown that the structure can be classified as perovskite-like and have ferroelectric properties.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"49 3","pages":"319 - 326"},"PeriodicalIF":0.7,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4030902","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
The Dependence of the Nonlinear Refractive Index of Laser and Optical Glasses on Their Optical Constants 激光和光学玻璃的非线性折射率与光学常数的关系
IF 0.7 4区 材料科学
Glass Physics and Chemistry Pub Date : 2023-07-01 DOI: 10.1134/S1087659623700074
V. I. Arbuzov
{"title":"The Dependence of the Nonlinear Refractive Index of Laser and Optical Glasses on Their Optical Constants","authors":"V. I. Arbuzov","doi":"10.1134/S1087659623700074","DOIUrl":"10.1134/S1087659623700074","url":null,"abstract":"<p>The effect of the refractive index <i>n</i><sub><i>D</i></sub> and mean dispersion (<i>n</i><sub><i>F</i></sub> <i>– n</i><sub><i>C</i></sub>) on the nonlinear refractive index of laser and optical glasses for active elements and elements of white optics of high-power pulsed radiation amplifiers is studied. It is shown that the nonlinear refractive index of the studied glasses will not exceed the maximum allowable value of 1.20 × 10<sup>–13</sup> cm<sup>2</sup>/B<sup>2</sup> if their refractive index in the green (yellow) region of the spectrum is below 1.550, and the average dispersion is less than 0.00820. It is found that the nonlinear refractive index of the studied glasses depends almost linearly on both the refractive index and the average dispersion. It is proposed that athermal phosphate crowns with a nonlinear refractive index below the specified limiting value can serve as the base for obtaining neodymium glasses with a low nonlinear index.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"49 3","pages":"234 - 238"},"PeriodicalIF":0.7,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4391293","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 and Characterization of Ceramics BaxMg(2 – x)F4 Activated by Tungsten 钨活化陶瓷BaxMg(2 - x)F4的合成与表征
IF 0.7 4区 材料科学
Glass Physics and Chemistry Pub Date : 2023-07-01 DOI: 10.1134/S1087659623600199
V. M. Lisitsyn, D. A. Musakhanov, T. G. Korzhneva, A. V. Strelkova, L. A. Lisitsyna, M. G. Golkovsky, A. M. Zhunusbekov, J. T. Karipbaev, A. L. Kozlovsky
{"title":"Synthesis and Characterization of Ceramics BaxMg(2 – x)F4 Activated by Tungsten","authors":"V. M. Lisitsyn,&nbsp;D. A. Musakhanov,&nbsp;T. G. Korzhneva,&nbsp;A. V. Strelkova,&nbsp;L. A. Lisitsyna,&nbsp;M. G. Golkovsky,&nbsp;A. M. Zhunusbekov,&nbsp;J. T. Karipbaev,&nbsp;A. L. Kozlovsky","doi":"10.1134/S1087659623600199","DOIUrl":"10.1134/S1087659623600199","url":null,"abstract":"<p>The possibility of radiation synthesis of luminescent ceramics from a mixture of Ba and Mg fluorides and WO<sub>3</sub> oxide is shown for the first time. Synthesis is implemented in a powerful electron beam with an energy of 1.4 MeV by direct exposure of the charge to radiation. It is shown that the characteristic band is observed in the photoluminescence spectrum of the synthesized materials due to the introduction of tungsten, which indicates the incorporation of tungsten into the lattice during radiation synthesis without the use of additional substances in the charge.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"49 3","pages":"288 - 292"},"PeriodicalIF":0.7,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4031852","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: 2
Viscosity, Free Activation Energy, and Glass Transition Temperature of Potassium Boron K2O–B2O3 Melts 硼钾k20 - b2o3熔体粘度、自由活化能和玻璃化转变温度
IF 0.7 4区 材料科学
Glass Physics and Chemistry Pub Date : 2023-07-01 DOI: 10.1134/S1087659623600102
A. A. Khokhryakov, M. A. Samoylova, V. V. Ryabov, L. B. Vedmid’, S. Yu. Mel’chakov
{"title":"Viscosity, Free Activation Energy, and Glass Transition Temperature of Potassium Boron K2O–B2O3 Melts","authors":"A. A. Khokhryakov,&nbsp;M. A. Samoylova,&nbsp;V. V. Ryabov,&nbsp;L. B. Vedmid’,&nbsp;S. Yu. Mel’chakov","doi":"10.1134/S1087659623600102","DOIUrl":"10.1134/S1087659623600102","url":null,"abstract":"<p>The viscosity of potassium–boron melts is measured in the temperature range 918–1699 K using a vibrational viscosimeter. The content of potassium oxide is varied from 0.74 to 28.46 mol %. The parameters of the viscous flow in melts (the configuration–activation energy(ε<sub>h</sub>) and the shifting energy of the bridging oxygen atoms’ bonds (U<sub>∞</sub>)) using the configuration–activation model are calculated for two temperature intervals 918–1400 K and 1400–1699 K. The glass transition temperature (<i>T</i><sub>g</sub>) is measured by differential scanning calorimetry (DSC) and the concentration dependence of the glass transition temperature on the content of potassium oxide in the melt is shown.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"49 3","pages":"239 - 244"},"PeriodicalIF":0.7,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4031832","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: Cluster Precursors K4, K5, and K9 for the Self-Assembly of Zr72P36-oS108, Zr18Ni22-tI40, and Zr4Ni4-oS8 Crystal Structures 金属间化合物体系的团簇自组织:团簇前体K4、K5和K9对Zr72P36-oS108、Zr18Ni22-tI40和Zr4Ni4-oS8晶体结构的自组装
IF 0.7 4区 材料科学
Glass Physics and Chemistry Pub Date : 2023-07-01 DOI: 10.1134/S1087659623600096
V. Ya. Shevchenko, G. D. Ilyushin
{"title":"Cluster Self-Organization of Intermetallic Systems: Cluster Precursors K4, K5, and K9 for the Self-Assembly of Zr72P36-oS108, Zr18Ni22-tI40, and Zr4Ni4-oS8 Crystal Structures","authors":"V. Ya. Shevchenko,&nbsp;G. D. Ilyushin","doi":"10.1134/S1087659623600096","DOIUrl":"10.1134/S1087659623600096","url":null,"abstract":"<p>Using computer methods (ToposPro software package), a combinatorial topological analysis and modeling of the self-assembly of Zr<sub>72</sub>P<sub>36</sub>-<i>oS</i>108 (<i>a</i> = 29.509 Å, <i>b</i> = 19.063 Å, <i>c</i> = 3.607 Å, V = 2029.49 Å<sup>3</sup>, <i>Cmmm</i>), Zr<sub>18</sub>Ni<sub>22</sub>-<i>tI</i>40 (<i>a</i> = <i>b</i> = 9.880 Å, <i>c</i> = 6.610 Å, V = 645.23 Å<sup>3</sup>, <i>I</i>4/<i>m</i>, and Zr<sub>4</sub>Ni<sub>4</sub>-<i>oS</i>8 (a = 3.271 Å, b = 9.931 Å, c = 4.107 Å, V = 133.43 Å<sup>3</sup>, <i>Cmcm</i>) crystal structures are carried out. For the crystal structure of Zr<sub>72</sub>P<sub>36</sub>-<i>oS</i>108, 40 variants of the cluster representation of the 3D atomic net with the number of structural units 5, 6, and 7 are established. Structural units in the form of a pyramid <i>K</i>5 = 0@PZr<sub>4</sub>, tetrahedron <i>K</i>4 = 0@Zr<sub>4</sub>, and supratetrahedron <i>K</i>9 = Zr(Zr<sub>4</sub>P<sub>4</sub>) of four connected tetrahedra. For the crystal structure of Zr<sub>18</sub>Ni<sub>22</sub>-<i>tI</i>40 also defined supratetrahedra <i>K</i>9 = Ni(Zr<sub>4</sub>Ni<sub>4</sub>) are defined. For the crystal structure of Zr<sub>4</sub>Ni<sub>4</sub>-<i>oS</i>8, the tetrahedral cluster precursor <i>K</i>4 = Zr<sub>2</sub>Ni<sub>2</sub> is defined. The symmetry and topological code of the processes of self-assembly of 3D structures from cluster precursors is reconstructed in the following form: primary chain → layer → framework.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"49 3","pages":"224 - 233"},"PeriodicalIF":0.7,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4031831","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
The Effect of the Introduction of Detonation Nanodiamonds on the Physical and Mechanical Characteristics of Thermoplastic Elastomers 爆轰纳米金刚石的引入对热塑性弹性体物理力学特性的影响
IF 0.7 4区 材料科学
Glass Physics and Chemistry Pub Date : 2023-07-01 DOI: 10.1134/S108765962360014X
M. V. Timoshenko, S. V. Balabanov, M. M. Sychov, K. S. Koshevaya, V. Yu. Dolmatov, V. P. Britov
{"title":"The Effect of the Introduction of Detonation Nanodiamonds on the Physical and Mechanical Characteristics of Thermoplastic Elastomers","authors":"M. V. Timoshenko,&nbsp;S. V. Balabanov,&nbsp;M. M. Sychov,&nbsp;K. S. Koshevaya,&nbsp;V. Yu. Dolmatov,&nbsp;V. P. Britov","doi":"10.1134/S108765962360014X","DOIUrl":"10.1134/S108765962360014X","url":null,"abstract":"<p>Thermoplastic elastomers (TPEs) reinforced with detonation nanodiamonds (DNDs) based on styrene-butadiene rubber are developed. The mechanical characteristics of the reinforced compounds with different DND contents are investigated. The developed material shows a 30% increase in compressive strength compared to the unfilled composite and a 10% increase in the tensile strength of the material with the introduction of 0.1% DND.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"49 3","pages":"314 - 318"},"PeriodicalIF":0.7,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4031835","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: Cluster Precursors K3, K4, K5, K7, and K8 for the Self-Assembly of Lu66Te24-mC90, Te4Lu28-oC32, Lu3(TeLu3)Lu2-hP9, and Lu4Te4-cF8 Crystal Structures 金属间化合物体系的团簇自组织:团簇前体K3、K4、K5、K7和K8对Lu66Te24-mC90、Te4Lu28-oC32、Lu3(TeLu3)Lu2-hP9和Lu4Te4-cF8晶体结构的自组装
IF 0.7 4区 材料科学
Glass Physics and Chemistry Pub Date : 2023-07-01 DOI: 10.1134/S1087659623600084
V. Ya. Shevchenko, G. D. Ilyushin
{"title":"Cluster Self-Organization of Intermetallic Systems: Cluster Precursors K3, K4, K5, K7, and K8 for the Self-Assembly of Lu66Te24-mC90, Te4Lu28-oC32, Lu3(TeLu3)Lu2-hP9, and Lu4Te4-cF8 Crystal Structures","authors":"V. Ya. Shevchenko,&nbsp;G. D. Ilyushin","doi":"10.1134/S1087659623600084","DOIUrl":"10.1134/S1087659623600084","url":null,"abstract":"<p>With the help of computer methods (ToposPro software package), a combinatorial topological analysis and modeling of the self-assembly of Lu<sub>4</sub>Te<sub>4</sub>-<i>oF</i>8 (<i>Fm</i>-3<i>m</i>, V = 211.0 Å<sup>3</sup>), Te<sub>4</sub>Lu<sub>28</sub>-<i>oC</i>32 (<i>Cmcm</i>, V = 908.3 Å<sup>3</sup>), Lu<sub>3</sub>(TeLu<sub>3</sub>)Lu<sub>2</sub>-<i>hP</i>9 (<i>P</i>-62<i>m</i>, V = 908.3 Å<sup>3</sup>), and Lu<sub>66</sub>Te<sub>24</sub>-<i>mC</i>90 (<i>C</i>12/<i>m</i>1, V = 2467.2 Å<sup>3</sup>) crystal structures are carried out. For the crystal structure of Lu<sub>4</sub>Te<sub>4</sub>-<i>oF</i>8, cluster precursors <i>K</i>8 = 0@Te<sub>4</sub>Lu<sub>4</sub> with symmetry –43<i>m</i>; for Te<sub>4</sub>Lu<sub>28</sub>-<i>oC</i>32, tetrahedral cluster precursors <i>K</i>4 = 0@Lu<sub>4</sub> and <i>K</i>4 = 0@TeLu<sub>3</sub> with symmetry 2 and <i>m</i>; and for Lu<sub>3</sub>(TeLu<sub>3</sub>)Lu<sub>2</sub>, cluster precursors <i>K</i>7 = 0@Lu<sub>3</sub>(TeLu<sub>3</sub>) with symmetry 3<i>m</i> and spacers Lu are established. For the crystal structure of Lu<sub>66</sub>Te<sub>24</sub>-<i>mC</i>90, pyramid-shaped cluster precursors <i>K</i>5 = 0@Lu<sub>5</sub> with symmetry 2, tetrahedra <i>K</i>4 = 0@Lu<sub>4</sub> with symmetry 2, tetrahedra <i>K</i>4 = 0@TeLu<sub>3</sub>, and tetrahedra <i>K</i>4 = 0@Te<sub>2</sub>Lu<sub>2</sub> are established, and rings <i>K</i>3 = 0@TeLu<sub>2</sub> are involved in the formation of supraclusters-trimers. The symmetry and topological code of the processes of self-assembly of 3D structures from cluster precursors is reconstructed in the following form: primary chain → layer → framework.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"49 3","pages":"215 - 223"},"PeriodicalIF":0.7,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4030948","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
Formation of Waveguide Layers on the Surface of K8 Glass Produced by Thermoradiation Ion Exchange 热辐射离子交换制备K8玻璃表面波导层的形成
IF 0.7 4区 材料科学
Glass Physics and Chemistry Pub Date : 2023-07-01 DOI: 10.1134/S1087659623600151
I. Nuritdinov, A. A. Eshbekov, B. N. Tuymanov
{"title":"Formation of Waveguide Layers on the Surface of K8 Glass Produced by Thermoradiation Ion Exchange","authors":"I. Nuritdinov,&nbsp;A. A. Eshbekov,&nbsp;B. N. Tuymanov","doi":"10.1134/S1087659623600151","DOIUrl":"10.1134/S1087659623600151","url":null,"abstract":"<p>The low-temperature heat treatment of K8 glass is carried out at temperatures of 350–500°C in alkaline melts of NaNO<sub>3</sub> and CsNO<sub>3</sub> salts in the field of gamma radiation from the <sup>60</sup>Co source at the dose rate of 3000 R/s and also outside the field. Under the influence of thermoradiation treatment due to the <span>({text{Na}}_{{{text{glass}}}}^{ + })</span> ↔ <span>({text{Cs}}_{{{text{melt}}}}^{ + })</span> ion-exchange diffusion, mechanical compressive stresses are created in the surface layer of the glass, which lead to the formation of a waveguide layer of the given thickness and an increase in the refractive index (RI) increment, the number of waveguide modes, and the depth of the waveguide layer.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"49 3","pages":"281 - 287"},"PeriodicalIF":0.7,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4031841","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
Molecular Dynamics Modeling of SiO2 Melts and Glass Formation Processes SiO2熔体和玻璃形成过程的分子动力学建模
IF 0.7 4区 材料科学
Glass Physics and Chemistry Pub Date : 2023-07-01 DOI: 10.1134/S1087659623600126
A. S. Mysovsky, A. S. Paklin
{"title":"Molecular Dynamics Modeling of SiO2 Melts and Glass Formation Processes","authors":"A. S. Mysovsky,&nbsp;A. S. Paklin","doi":"10.1134/S1087659623600126","DOIUrl":"10.1134/S1087659623600126","url":null,"abstract":"<p>Molecular dynamics (MD) with ReaxFF potentials is used to study the melting process of quartz and cristobalite together with the amorphous structures obtained at different stages of melting by cooling the melt. The long-term preservation of an excess of eight-membered rings inherited from the crystalline phase is found in the quartz melts, while in the cristobalite melts, the similar preservation of six-membered rings is not observed. Thus, it can be stated that the quartz melts and glasses obtained from them have structural memory, in contrast to cristobalite melts. An increase in the number of four-membered rings with increasing temperature is revealed. A number of other features of the obtained amorphous structures, which we consider as models for glasses, are discussed.</p>","PeriodicalId":580,"journal":{"name":"Glass Physics and Chemistry","volume":"49 3","pages":"269 - 280"},"PeriodicalIF":0.7,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4031994","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
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