Journal of Non-crystalline Solids最新文献_第4页

Crystallization behaviour and stability of β-cristobalite in the system CaO-Al2O3-SiO2 β-方石英在CaO-Al2O3-SiO2体系中的结晶行为及稳定性

IF 3.5 3区材料科学

Journal of Non-crystalline Solids Pub Date : 2025-09-19 DOI: 10.1016/j.jnoncrysol.2025.123777

Katrin Thieme , Susanne Selle , Lars Ortmann , Christian Thieme

{"title":"Crystallization behaviour and stability of β-cristobalite in the system CaO-Al2O3-SiO2","authors":"Katrin Thieme , Susanne Selle , Lars Ortmann , Christian Thieme","doi":"10.1016/j.jnoncrysol.2025.123777","DOIUrl":"10.1016/j.jnoncrysol.2025.123777","url":null,"abstract":"<div><div>The temperature stability range of high- and low-temperature phases of cristobalite were investigated by a combinatory study, where X-ray diffraction and microstructural investigations via electron microscopy are compared. Two glass compositions, one within the cristobalite region of the ternary phase diagram CaO-Al<sub>2</sub>O<sub>3</sub>-SiO<sub>2</sub> and one within the mullite region of the same system were synthesized and afterwards heat treated at different temperatures. Both samples show very different microstructures and in addition to cristobalite, also other secondary phases (anorthite and mullite) as well as different crystallization mechanisms. The mullite containing sample shows volume crystallization with tiny mullite and larger cristobalite crystals, whereas the other sample crystallizes from the surface. Dependent from the matrix (and from secondary phases) surrounding the cristobalite crystals, a threshold temperature of 1350 to 1375 °C can be measured. Heat treatments above this temperature lead to a stabilization of the low-temperature phase of cristobalite during cooling to room temperature. Lower temperatures stabilize the high-temperature phase. Scanning as well as transmission electron microscopy in combination with elemental analyses via electron dispersive X-ray spectroscopy show that the compositions of the cristobalite crystals as well as the microstructures change above the threshold temperature, which explains the stabilization of different cristobalite phases in dependence of the temperature of heat treatment.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"668 ","pages":"Article 123777"},"PeriodicalIF":3.5,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096794","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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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Stabilizing superionic Ag2S1-xTex phase to room temperature via S/Te size disparity 通过S/Te尺寸差稳定超离子Ag2S1-xTex相至室温

IF 3.5 3区材料科学

Journal of Non-crystalline Solids Pub Date : 2025-09-19 DOI: 10.1016/j.jnoncrysol.2025.123780

Yuxin Shao , Chengwei Gao , Yanqing Fu , Shiliang Kang , Linling Tan , Baoan Song , Shixun Dai , Changgui Lin

{"title":"Stabilizing superionic Ag2S1-xTex phase to room temperature via S/Te size disparity","authors":"Yuxin Shao , Chengwei Gao , Yanqing Fu , Shiliang Kang , Linling Tan , Baoan Song , Shixun Dai , Changgui Lin","doi":"10.1016/j.jnoncrysol.2025.123780","DOIUrl":"10.1016/j.jnoncrysol.2025.123780","url":null,"abstract":"<div><div>Superionic <em>β</em>-Ag<sub>2</sub>S demonstrates exceptional ionic conductivity and ductility, rendering highly promising for applications in electrochemical sensors, thermoelectric devices and solid-state electrolytes. However, it is still haunted by the limited thermodynamic stability, transitioning to the poorly conductive <em>α</em>-Ag<sub>2</sub>S phase upon cooling to room temperature (RT). Herein, a solid solution formed by partial isovalent substitution of sulfur with tellurium stabilizes the superionic phase via the substantial atomic-size mismatch between S and Te. Specifically, Ag<sub>2</sub>S<sub>1-x</sub>Te<sub>x</sub> (0.2 ≤ <em>x</em> ≤ 0.8) maintain superionic phase at RT without observable phase transition upon cooling. This stabilized superionic phase originates from the substantial size mismatched between S and Te. Furthermore, the anion disorder caused by the local volume expansion introduced by large-radius Te reduces the activation energy the activation energy barrier and provides more vacancies for Ag<sup>+</sup> ion transportation. This work confirms the efficiency of crystal amorphization strategy for stabilizing high-temperature superionic phases at ambient conditions, enabling the development of superionic conductors.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"668 ","pages":"Article 123780"},"PeriodicalIF":3.5,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096795","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Thermodynamic model for the structure of Nd doped phosphate laser glasses and the neodymium chemistry influence on their emission properties 掺钕磷酸盐激光玻璃结构的热力学模型及钕化学对其发射性能的影响

IF 3.5 3区材料科学

Journal of Non-crystalline Solids Pub Date : 2025-09-19 DOI: 10.1016/j.jnoncrysol.2025.123779

Alberto López-Grande , Jon Azkargorta , Iñaki Iparraguirre , Gregory Tricot , Sara García-Revilla , Joaquín Fernández , Rolindes Balda , Francisco Muñoz

{"title":"Thermodynamic model for the structure of Nd doped phosphate laser glasses and the neodymium chemistry influence on their emission properties","authors":"Alberto López-Grande , Jon Azkargorta , Iñaki Iparraguirre , Gregory Tricot , Sara García-Revilla , Joaquín Fernández , Rolindes Balda , Francisco Muñoz","doi":"10.1016/j.jnoncrysol.2025.123779","DOIUrl":"10.1016/j.jnoncrysol.2025.123779","url":null,"abstract":"<div><div>Development of phosphate laser glasses has focused on combining good laser emission with high mechanical performance and their structure has increasingly been of importance due to the usefulness in interpreting the behavior of functional glasses and help in the design of novel compositions. Herein we tackled the interrelationships between the structure, the nearby chemical environment of Nd<sup>3+</sup> ions and the spectroscopic and laser emission properties in a series of phosphate and alumino-phosphate Nd-doped glasses. The structure has been obtained using the associated solutions model and has been confirmed by a multinuclear NMR study in the system Na<sub>2</sub>O-K<sub>2</sub>O-BaO-Al<sub>2</sub>O<sub>3</sub>-P<sub>2</sub>O<sub>5</sub>, then correlated with the emission properties of the different glasses. Nd luminescence depends on the coordination around Nd and linear and nonlinear spectroscopic results suggest that high strength modifiers in mixed-alkali compositions increase the crystal field disorder enhancing electric-dipole transitions and promoting the presence of two broad distributions of Nd<sup>3+</sup> sites.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"668 ","pages":"Article 123779"},"PeriodicalIF":3.5,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096905","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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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Graph neural network–driven inverse design of relaxation dynamics in metallic-glass formers 图神经网络驱动的金属玻璃成形器弛豫动力学逆设计

IF 3.5 3区材料科学

Journal of Non-crystalline Solids Pub Date : 2025-09-17 DOI: 10.1016/j.jnoncrysol.2025.123773

Ruiqi Zhao , Maozhi Li , Zhiliang Ning , Jianfei Sun , Yongjiang Huang

{"title":"Graph neural network–driven inverse design of relaxation dynamics in metallic-glass formers","authors":"Ruiqi Zhao , Maozhi Li , Zhiliang Ning , Jianfei Sun , Yongjiang Huang","doi":"10.1016/j.jnoncrysol.2025.123773","DOIUrl":"10.1016/j.jnoncrysol.2025.123773","url":null,"abstract":"<div><div>Despite the development of numerous theories to explain the structural origins of long-time relaxation dynamics in amorphous materials, a unified theory remains elusive. Unlike crystalline materials, glasses and supercooled liquids lack long-range orders or structural units that are closely correlated with their properties. Researchers face challenges in pinpointing specific features and the intricate dynamic relaxation behaviors spanning diverse time scales. In this study, we focused on investigating the structural origin of relaxation dynamics with two advanced methods: graph neural network (GNN) and swap Monte Carlo. The swap Monte Carlo method facilitated extensive sampling of supercooled liquid configurations, while GNN was employed to evaluate changes in their dynamic propensities induced by structural changes. Our observations revealed a short-to-medium-range ordered structure within CuZr supercooled liquids. Notably, we found that configurations exhibiting lower peaks and higher valleys in the radial distribution function, (<em>r</em>), within a certain distance range corresponded to greater dynamic propensities. Among the numerous structural descriptors, those that represent local five-fold symmetry in CuZr supercooled liquids exhibit the strongest correlation with relaxation dynamics. This targeted adjustment paradigm not only serves as a versatile tool for tailoring the structure of supercooled liquids but also provides interpretable insights into the complex dynamics of relaxation in glass formers.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"668 ","pages":"Article 123773"},"PeriodicalIF":3.5,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096796","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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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Ionic mobility and conductivity in glasses of the CdNbOF5-BaF2-InF3 system CdNbOF5-BaF2-InF3体系玻璃中的离子迁移率和电导率

IF 3.5 3区材料科学

Journal of Non-crystalline Solids Pub Date : 2025-09-17 DOI: 10.1016/j.jnoncrysol.2025.123778

L.N. Ignatieva, M.M. Polyantsev, N.N. Savchenko, A.B. Podgorbunsky, A.B. Slobodyuk, Yu.V. Marchenko, V.A. Mashchenko

{"title":"Ionic mobility and conductivity in glasses of the CdNbOF5-BaF2-InF3 system","authors":"L.N. Ignatieva, M.M. Polyantsev, N.N. Savchenko, A.B. Podgorbunsky, A.B. Slobodyuk, Yu.V. Marchenko, V.A. Mashchenko","doi":"10.1016/j.jnoncrysol.2025.123778","DOIUrl":"10.1016/j.jnoncrysol.2025.123778","url":null,"abstract":"<div><div>The glasses in the systems of CdNbOF<sub>5</sub>–BaF<sub>2</sub> and CdNbOF<sub>5</sub>–BaF<sub>2</sub>–InF<sub>3</sub> were synthesized. The obtained glasses were studied using X-ray diffractometry, thermogravimetry, IR spectroscopy, ¹⁹F NMR spectroscopy and conductometry. The resulting systems are characterized by glass transition temperatures from 559–582 К. Thermal stability of at least 30 degrees and high resistance of glass to crystallization allow heating individual glass compositions up to 600 K without crystallization. After this temperature, crystallization begins with the preservation of glassy phases and the appearance of crystalline phases CdF<sub>2</sub> and Ba<sub>3</sub>In<sub>2</sub>F<sub>12</sub>. The glass networks are formed from NbO<sub>n</sub>F<sub>m</sub> polyhedra connected by oxygen bridges. Indium trifluoride increases the amount of weakly bound non-bridging fluorines in the glass structure and provides F-ion mobility. The presence of indium trifluoride in an amount of >40 mol. % improves the ionic mobility of fluorine ions and the overall ionic conductivity compared to initial CdNbOF<sub>5</sub>–BaF<sub>2</sub> composition. Compositions of glasses in the CdNbOF<sub>5</sub>–BaF<sub>2</sub>–InF<sub>3</sub> system with anionic conductivity reaching values of 1.93∙10<sup>–5</sup> S•cm<sup>-1</sup> at 483 K have been developed.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"668 ","pages":"Article 123778"},"PeriodicalIF":3.5,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096797","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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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Interfacial control of amorphous phase dimensions in high-entropy alloy composites: molecular dynamics insights into plastic deformation mechanisms 高熵合金复合材料中非晶相尺寸的界面控制：分子动力学对塑性变形机制的洞察

IF 3.5 3区材料科学

Journal of Non-crystalline Solids Pub Date : 2025-09-16 DOI: 10.1016/j.jnoncrysol.2025.123774

Shiyun Wang , Tinghong Gao , Lianxin Li , Yunjie Han , Zhan Zhang , Yongchao Liang , Bei Wang , Linfei Wang , Qiwei Sun , Liang Liu

{"title":"Interfacial control of amorphous phase dimensions in high-entropy alloy composites: molecular dynamics insights into plastic deformation mechanisms","authors":"Shiyun Wang , Tinghong Gao , Lianxin Li , Yunjie Han , Zhan Zhang , Yongchao Liang , Bei Wang , Linfei Wang , Qiwei Sun , Liang Liu","doi":"10.1016/j.jnoncrysol.2025.123774","DOIUrl":"10.1016/j.jnoncrysol.2025.123774","url":null,"abstract":"<div><div>The amorphous/crystalline dual-phase nanostructure synergistically enhances alloy mechanical properties by combining complementary characteristics. This study employs molecular dynamics (MD) simulations to elucidate how amorphous phase dimensions mediate plastic deformation mechanisms and strengthening-toughening synergy in CoCrFeMnNi-based dual-phase high-entropy alloys (HEAs). Results reveal significant size-dependent responses: yield stress increases monotonically with decreasing amorphous layer thickness. Plastic deformation occurs through coordinated mechanisms—dislocation glide, stress-induced FCC-to-HCP phase transformations in crystalline regions, and shear band formation within confined amorphous domains. Critically, amorphous/crystalline interfaces impede stress transmission between shear transformation zones, enhancing yield strength. Concurrently, Hirth and Stair-rod dislocations generated at phase boundaries obstruct crack propagation, improving fracture resistance. Stress fluctuations from dislocation immobilization at interfaces further promote energy dissipation. These findings establish the interplay between amorphous phase architecture and deformation physics in dual-phase HEAs, providing insights for designing high-strength, damage-tolerant metallic materials via nanoscale interface engineering.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"668 ","pages":"Article 123774"},"PeriodicalIF":3.5,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096798","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Amorphous structure and thermoluminescence characteristics of moldavites from Lower Silesia (Poland) and an indochinite from China 波兰下西里西亚moldavite和中国印支岩的无定形结构和热释光特征

IF 3.5 3区材料科学

Journal of Non-crystalline Solids Pub Date : 2025-09-16 DOI: 10.1016/j.jnoncrysol.2025.123775

Szymon Świontek , Marcin Środa , Zbigniew Olejniczak , Krzysztof Szopa

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Ge doping tailors microstructure and optoelectronic properties of Sb2Te3 for phase change memory applications Ge掺杂调整了Sb2Te3相变存储器的微观结构和光电性能

IF 3.5 3区材料科学

Journal of Non-crystalline Solids Pub Date : 2025-09-12 DOI: 10.1016/j.jnoncrysol.2025.123772

Ling Miao, Leng Chen

{"title":"Ge doping tailors microstructure and optoelectronic properties of Sb2Te3 for phase change memory applications","authors":"Ling Miao, Leng Chen","doi":"10.1016/j.jnoncrysol.2025.123772","DOIUrl":"10.1016/j.jnoncrysol.2025.123772","url":null,"abstract":"<div><div>This study investigates Ge doping effects on the microstructure and optoelectronic properties of Sb<sub>2</sub>Te<sub>3</sub> films through experiments and first-principles calculations. Sb<sub>2</sub>Te<sub>3</sub> and Ge-doped Sb<sub>2</sub>Te<sub>3</sub> films exhibit high reflectance contrast during phase transition, ensuring a high signal-to-noise ratio. Notably, the reflectance contrast of Ge<sub>14</sub>(Sb<sub>2</sub>Te<sub>3</sub>)<sub>86</sub> films exhibits significant variations in the near-infrared band, enabling potential multi-level reflectance modulation. Additionally, the optical bandgap (<em>E<sub>g</sub></em>) of amorphous Sb<sub>2</sub>Te<sub>3</sub> films increases with the Ge-doping content, demonstrating that Ge incorporation enhances the amorphous phase stability while providing theoretical insights into <em>E<sub>g</sub></em> value modulation. The changes in optical properties after Ge doping are related to the reduction in crystallinity and roughness. Electrical analysis indicates that the films remain p-type after Ge doping. However, Ge doping alters the temperature-dependent carrier behavior of Sb<sub>2</sub>Te<sub>3</sub> films, mainly due to Ge-Te bonds and altered crystallization behavior. First-principles calculations further confirm that Ge atoms prefer to substitute Sb sites, forming strong Ge-Te bonds, consistent with experimental observations. Moreover, Te precipitation in Sb<sub>2</sub>Te<sub>3</sub> films and significant voltage drops at grain boundaries are also associated with changes in carrier behavior. This work demonstrates the potential of Ge-doped Sb<sub>2</sub>Te<sub>3</sub> films for advanced optoelectronic applications.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"668 ","pages":"Article 123772"},"PeriodicalIF":3.5,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145047091","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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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A new secondary crack nucleation mechanism of a novel short amorphous alloy fiber-reinforced epoxy composite during dynamic compression 一种新型短非晶合金纤维增强环氧复合材料在动态压缩过程中的二次裂纹成核机制

IF 3.5 3区材料科学

Journal of Non-crystalline Solids Pub Date : 2025-09-11 DOI: 10.1016/j.jnoncrysol.2025.123768

Weizhong Liang, Main Liu, Yingyi Liu, Xin Liu, Xinbo Wang

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A proposed resolution to the second germanate anomaly 对第二个日耳曼异常的建议解决方案

IF 3.5 3区材料科学

Journal of Non-crystalline Solids Pub Date : 2025-09-11 DOI: 10.1016/j.jnoncrysol.2025.123771

Cedrick O’Shaughnessy, David Sidebottom

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