Journal of Non-crystalline Solids最新文献

英文中文

Creep behavior of SiO2 films treated at elevated temperatures for SiC capacitive pressure sensors using nanoindentation technique and FE analysis

IF 3.2 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids

Pub Date : 2025-01-10 DOI: 10.1016/j.jnoncrysol.2025.123385

Chengyi Liu , Jiangfeng Du , Qi Yu

As both the operating temperature and duration of SiC capacitive pressure sensors escalate, the creep characteristics of the SiO₂ thin film structure significantly impact the sensor's performance and reliability. This study aims to evaluate the creep characteristics of 2.2 μm-thick SiO₂ thin films subjected to different conditions. Firstly, we utilized nanoindentation technique and microscopic methods to perform creep analysis on SiO₂/SiC samples. Then, through curve fitting and numerical calculations, we determined the stress exponent of SiO₂ to range from 2.73 to 12.47 after high-temperature treatments, and derived the creep power-law model for the steady state. Finally, we imported the material parameters from tests and calculations into finite element (FE) analysis software to establish a nanoindentation creep model and simulate the testing process. The maximum relative error between the simulation and the experiment was 5.52%, validating the accuracy of the proposed model and the creep parameters obtained from the nanoindentation technique.

{"title":"Creep behavior of SiO2 films treated at elevated temperatures for SiC capacitive pressure sensors using nanoindentation technique and FE analysis","authors":"Chengyi Liu , Jiangfeng Du , Qi Yu","doi":"10.1016/j.jnoncrysol.2025.123385","DOIUrl":"10.1016/j.jnoncrysol.2025.123385","url":null,"abstract":"<div><div>As both the operating temperature and duration of SiC capacitive pressure sensors escalate, the creep characteristics of the SiO<sub>2</sub> thin film structure significantly impact the sensor's performance and reliability. This study aims to evaluate the creep characteristics of 2.2 μm-thick SiO<sub>2</sub> thin films subjected to different conditions. Firstly, we utilized nanoindentation technique and microscopic methods to perform creep analysis on SiO<sub>2</sub>/SiC samples. Then, through curve fitting and numerical calculations, we determined the stress exponent of SiO<sub>2</sub> to range from 2.73 to 12.47 after high-temperature treatments, and derived the creep power-law model for the steady state. Finally, we imported the material parameters from tests and calculations into finite element (FE) analysis software to establish a nanoindentation creep model and simulate the testing process. The maximum relative error between the simulation and the experiment was 5.52%, validating the accuracy of the proposed model and the creep parameters obtained from the nanoindentation technique.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"651 ","pages":"Article 123385"},"PeriodicalIF":3.2,"publicationDate":"2025-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143139383","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

Innovative approach to the catalytic effects of oxide glasses and glass-ceramics on the thermal decomposition of fatty acids

IF 3.2 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids

Pub Date : 2025-01-10 DOI: 10.1016/j.jnoncrysol.2025.123386

Sara Marijan , Petr Mošner , Ladislav Koudelka , Željko Skoko , Luka Pavić , Jana Pisk

In the quest to mitigate greenhouse gas emissions, biofuels, particularly biodiesel and new generation renewable diesel, are compelling alternatives to fossil fuels due to their lower toxicity, renewability, biodegradability, lubricity, and cleaner combustion. This study explores cost-effective, innovative catalysts: glasses-(ceramics) derived from the Na₂O-V₂O₅-(Al₂O₃)-P₂O₅-Nb₂O₅ system, for the pyrolytic deoxygenation of long-chain fatty acids into alkanes. Thermogravimetric analysis/differential scanning calorimetry (TG/DSC) assessed catalytic activity, while TG-IR and STA-QMS provided insights into the catalytic mechanisms. Dielectric properties examined through solid-state impedance spectroscopy (SS-IS) revealed that increased V₂O₅ content enhances dielectric permittivity, dielectric strength, and dielectric loss, correlating with improved catalytic activity. Optimal properties were achieved with the highest V₂O₅ content, indicating potential applications in memory and switching devices and battery technology. This study highlights the versatility and multifunctionality of oxide glasses-(ceramics), enhanced through simple compositional adjustments.

{"title":"Innovative approach to the catalytic effects of oxide glasses and glass-ceramics on the thermal decomposition of fatty acids","authors":"Sara Marijan , Petr Mošner , Ladislav Koudelka , Željko Skoko , Luka Pavić , Jana Pisk","doi":"10.1016/j.jnoncrysol.2025.123386","DOIUrl":"10.1016/j.jnoncrysol.2025.123386","url":null,"abstract":"<div><div>In the quest to mitigate greenhouse gas emissions, biofuels, particularly biodiesel and new generation renewable diesel, are compelling alternatives to fossil fuels due to their lower toxicity, renewability, biodegradability, lubricity, and cleaner combustion. This study explores cost-effective, innovative catalysts: glasses-(ceramics) derived from the Na<sub>2</sub>O-V<sub>2</sub>O<sub>5</sub>-(Al<sub>2</sub>O<sub>3</sub>)-P<sub>2</sub>O<sub>5</sub>-Nb<sub>2</sub>O<sub>5</sub> system, for the pyrolytic deoxygenation of long-chain fatty acids into alkanes. Thermogravimetric analysis/differential scanning calorimetry (TG/DSC) assessed catalytic activity, while TG-IR and STA-QMS provided insights into the catalytic mechanisms. Dielectric properties examined through solid-state impedance spectroscopy (SS-IS) revealed that increased V<sub>2</sub>O<sub>5</sub> content enhances dielectric permittivity, dielectric strength, and dielectric loss, correlating with improved catalytic activity. Optimal properties were achieved with the highest V<sub>2</sub>O<sub>5</sub> content, indicating potential applications in memory and switching devices and battery technology. This study highlights the versatility and multifunctionality of oxide glasses-(ceramics), enhanced through simple compositional adjustments.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"651 ","pages":"Article 123386"},"PeriodicalIF":3.2,"publicationDate":"2025-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143139385","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

Tuning macroporous structure and thermal properties of polymethylsilsesquioxane aerogels via tailored heat treatment

IF 3.2 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids

Pub Date : 2025-01-09 DOI: 10.1016/j.jnoncrysol.2025.123388

Zhi Li , Fang Zhou , Kai Shen , Min Hu , Miao Liu , Shengjie Yao , Zikang Chen , Qiong Liu , Chuangang Fan , Xiaoxu Wu

The rapid preparation of polymethylsilsesquioxane (PMSQ) aerogels via ambient pressure drying resolves the issues of organic solvent overconsumption and lengthy processing commonly encountered in the production of hydrophobic SiO₂ aerogels. However, macropore structures in MSQ aerogels diminish thermal insulation properties, limiting their broader application. This study employed a simple, clean, and controllable heat treatment technique to tailor the microstructure and surface chemical of MSQ aerogels, yielding SiO₂ aerogels with superior hydrophobicity, outstanding thermal insulation performance, and enhanced thermal stability. Specifically, through heat treatment at 600 °C in an argon atmosphere, MSQ aerogels demonstrate minimal morphological changes (2.5 % volume shrinkage), maintaining low density (0.066 g/cm³), high porosity, and excellent hydrophobicity. Notably, Reduced macropores optimize thermal conductivity (27.3 mW/m/K), while the partial decomposition of organic groups enhances thermal stability and lowers gross calorific value. This study offers a promising strategy for improving the thermal properties of MSQ aerogels and broadening their applications.

{"title":"Tuning macroporous structure and thermal properties of polymethylsilsesquioxane aerogels via tailored heat treatment","authors":"Zhi Li , Fang Zhou , Kai Shen , Min Hu , Miao Liu , Shengjie Yao , Zikang Chen , Qiong Liu , Chuangang Fan , Xiaoxu Wu","doi":"10.1016/j.jnoncrysol.2025.123388","DOIUrl":"10.1016/j.jnoncrysol.2025.123388","url":null,"abstract":"<div><div>The rapid preparation of polymethylsilsesquioxane (PMSQ) aerogels via ambient pressure drying resolves the issues of organic solvent overconsumption and lengthy processing commonly encountered in the production of hydrophobic SiO<sub>2</sub> aerogels. However, macropore structures in MSQ aerogels diminish thermal insulation properties, limiting their broader application. This study employed a simple, clean, and controllable heat treatment technique to tailor the microstructure and surface chemical of MSQ aerogels, yielding SiO<sub>2</sub> aerogels with superior hydrophobicity, outstanding thermal insulation performance, and enhanced thermal stability. Specifically, through heat treatment at 600 °C in an argon atmosphere, MSQ aerogels demonstrate minimal morphological changes (2.5 % volume shrinkage), maintaining low density (0.066 g/cm³), high porosity, and excellent hydrophobicity. Notably, Reduced macropores optimize thermal conductivity (27.3 mW/m/K), while the partial decomposition of organic groups enhances thermal stability and lowers gross calorific value. This study offers a promising strategy for improving the thermal properties of MSQ aerogels and broadening their applications.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"651 ","pages":"Article 123388"},"PeriodicalIF":3.2,"publicationDate":"2025-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143139380","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

Design and optimization of a large mode field, low crosstalk homogeneous six-core photonic crystal fiber

IF 3.2 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids

Pub Date : 2025-01-08 DOI: 10.1016/j.jnoncrysol.2024.123383

Dexiao Chen , Fang Tan , Zhitao Zhang , Yanke Zhang , Songsong Ge , Xiang Zhang , Ping Huang , Shunfa Cui , Zhuang Leng

Multi-core fiber is one of the important application technologies for space division multiplexing. This paper proposes and designs a large mode field, low crosstalk homogeneous six-core photonic crystal fiber. The method of controlling a single variable is employed to ascertain the crosstalk of the fiber and the variation curve of the effective mode field area, while optimizing the parameters by varying the structural parameters using the full vector finite element method. The performance of the fiber with optimized parameters in terms of bending, dispersion, confinement loss, and electric field strength is calculated and analyzed. At a wavelength of 1550 nm, the crosstalk and effective mode field area following the optimization of structural parameters are -51.6 dB and 341 μm², respectively; The minimum level of crosstalk is -63.9 dB when the bending radius is 1.00 cm; The dispersion values are as low as -6062 ps/nm/km; The limiting loss is a maximum of 0.00532 dB/km; The electric field strength of each core in the radial and axial directions of the fiber is considerable and uniformly distributed. Compared with similar multi-core fibers, the large mode field, low-loss homogeneous six-core photonic crystal fiber designed in this paper has better performance in terms of bending, dispersion, limiting loss, and electric field strength. The design of this structure provides a useful reference scheme for optical communication networks as well as fiber optic device development.

{"title":"Design and optimization of a large mode field, low crosstalk homogeneous six-core photonic crystal fiber","authors":"Dexiao Chen , Fang Tan , Zhitao Zhang , Yanke Zhang , Songsong Ge , Xiang Zhang , Ping Huang , Shunfa Cui , Zhuang Leng","doi":"10.1016/j.jnoncrysol.2024.123383","DOIUrl":"10.1016/j.jnoncrysol.2024.123383","url":null,"abstract":"<div><div>Multi-core fiber is one of the important application technologies for space division multiplexing. This paper proposes and designs a large mode field, low crosstalk homogeneous six-core photonic crystal fiber. The method of controlling a single variable is employed to ascertain the crosstalk of the fiber and the variation curve of the effective mode field area, while optimizing the parameters by varying the structural parameters using the full vector finite element method. The performance of the fiber with optimized parameters in terms of bending, dispersion, confinement loss, and electric field strength is calculated and analyzed. At a wavelength of 1550 nm, the crosstalk and effective mode field area following the optimization of structural parameters are -51.6 dB and 341 μm², respectively; The minimum level of crosstalk is -63.9 dB when the bending radius is 1.00 cm; The dispersion values are as low as -6062 ps/nm/km; The limiting loss is a maximum of 0.00532 dB/km; The electric field strength of each core in the radial and axial directions of the fiber is considerable and uniformly distributed. Compared with similar multi-core fibers, the large mode field, low-loss homogeneous six-core photonic crystal fiber designed in this paper has better performance in terms of bending, dispersion, limiting loss, and electric field strength. The design of this structure provides a useful reference scheme for optical communication networks as well as fiber optic device development.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"651 ","pages":"Article 123383"},"PeriodicalIF":3.2,"publicationDate":"2025-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143139381","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

Improvement of soft magnetic properties for Fe-based amorphous/nanocrystalline alloy by longitudinal magnetic field annealing

IF 3.2 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids

Pub Date : 2025-01-06 DOI: 10.1016/j.jnoncrysol.2024.123382

Mufeng Jiang , Jingjing Wang , Mingjuan Cai , Jun Li , Wanying Dong , Zhijun Guo , Baolong Shen

This study investigated the enhancement of soft magnetic properties in Fe_83.2-xCo_xSi_2.5B_9.5P₄Cu_0.8 (x = 0, 4, 8, 12 and 16 at %) amorphous/nanocrystalline alloys through longitudinal magnetic field annealing (FA). The FA-treated alloys demonstrate superior magnetic performance, achieving a superior saturation flux density (B_s) of 1.85 T, ultra-low coercivity (H_c) of 1.8 A/m, high effective permeability (μ_e) of 26,505 at 1 kHz, and low core loss (0.13 W/kg) at 1.0 T/50 Hz. Microstructural analysis reveals that the FA and Co substitution promotes nanocrystalline nucleation, forming high-density nanocrystals while suppressing grain growth through competitive dynamics and inhibiting element diffusion within the amorphous matrix. Domain observation further confirms that FA facilitates the transition from disordered, non-uniform magnetic to uniform, broad, plate-like domains. These findings elucidate the critical influence of longitudinal magnetic field annealing on microstructure evolution and magnetic domain alignment, which synergistically enhance soft magnetic properties.

{"title":"Improvement of soft magnetic properties for Fe-based amorphous/nanocrystalline alloy by longitudinal magnetic field annealing","authors":"Mufeng Jiang , Jingjing Wang , Mingjuan Cai , Jun Li , Wanying Dong , Zhijun Guo , Baolong Shen","doi":"10.1016/j.jnoncrysol.2024.123382","DOIUrl":"10.1016/j.jnoncrysol.2024.123382","url":null,"abstract":"<div><div>This study investigated the enhancement of soft magnetic properties in Fe<sub>83.2-x</sub>Co<sub>x</sub>Si<sub>2.5</sub>B<sub>9.5</sub>P<sub>4</sub>Cu<sub>0.8</sub> (<em>x</em> = 0, 4, 8, 12 and 16 at %) amorphous/nanocrystalline alloys through longitudinal magnetic field annealing (FA). The FA-treated alloys demonstrate superior magnetic performance, achieving a superior saturation flux density (<em>B</em><sub>s</sub>) of 1.85 T, ultra-low coercivity (<em>H</em><sub>c</sub>) of 1.8 A/m, high effective permeability (<em>μ</em><sub>e</sub>) of 26,505 at 1 kHz, and low core loss (0.13 W/kg) at 1.0 T/50 Hz. Microstructural analysis reveals that the FA and Co substitution promotes nanocrystalline nucleation, forming high-density nanocrystals while suppressing grain growth through competitive dynamics and inhibiting element diffusion within the amorphous matrix. Domain observation further confirms that FA facilitates the transition from disordered, non-uniform magnetic to uniform, broad, plate-like domains. These findings elucidate the critical influence of longitudinal magnetic field annealing on microstructure evolution and magnetic domain alignment, which synergistically enhance soft magnetic properties.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"650 ","pages":"Article 123382"},"PeriodicalIF":3.2,"publicationDate":"2025-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138290","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

Three-dimensional nanosheet glass with fluid-induced switchable haze obtained by hydrothermal method

IF 3.2 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids

Pub Date : 2025-01-03 DOI: 10.1016/j.jnoncrysol.2024.123384

Heng Zhu , Wenguang Tu , Xi Zhu , Yong Zhou , Zhigang Zou

Ultrahigh haze nanosheet glass with three-dimensional nanostructure was fabricated using a simple hydrothermal method in concentrated hydrochloric acid solution at elevated temperatures. After 2 hours of hydrothermal treatment, the total transmission of the nanosheet glass decreased to less than 35%, with a haze value exceeding 95%. When the sample was wetted with water, the total transmission increased to 85%, while the haze value decreased to 32%. A mechanism was proposed to explain the formation of the three-dimensional nanostructure. Furthermore, we demonstrated a switchable-haze smart window model based on the nanosheet glass. These findings suggest potential applications in underwater optics, such as underwater cameras and diving goggles.

引用次数: 0

Insight into efficient removal of tetracycline from water by Fe–Si–B amorphous alloys

IF 3.2 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids

Pub Date : 2025-01-02 DOI: 10.1016/j.jnoncrysol.2024.123377

Jing Wei , Zhigang Zheng , Zhaoguo Qiu , Dechang Zeng

The removal efficiency of tetracycline (TC) by Fe-based amorphous (Fe^am) alloy was investigated through batch experiments, examining the effects of TC concentration, initial pH, and environmental temperature on its removal performance. The experimental results indicate that Fe^am, owing to its amorphous structure and excellent catalytic properties, has a TC removal rate that is 2.75 times greater than that of zero-valent iron (ZVI) powder. Within the range of initial pH values from 4 to 7, the degradation efficiency for TC remains high, with nearly all removal rates reaching 99 % after 30 min of treatment. The results suggest that the removal process is primarily attributed to adsorption (by Fe⁰ and its corrosion products) and reduction. The pH significantly influences the formation of iron corrosion products and the variations in TC species. The reactive adsorbed Fe²⁺ plays a crucial role in the removal process. In addition to demonstrating effective removal capabilities for TC, Fe^am also exhibits excellent removal performance for oxytetracycline (OTC) hydrochloride and chlorotetracycline (CTC) hydrochloride, underscoring its broad applicability among tetracycline antibiotics. In summary, this study provides a novel approach for the removal of tetracycline antibiotics from water.

{"title":"Insight into efficient removal of tetracycline from water by Fe–Si–B amorphous alloys","authors":"Jing Wei , Zhigang Zheng , Zhaoguo Qiu , Dechang Zeng","doi":"10.1016/j.jnoncrysol.2024.123377","DOIUrl":"10.1016/j.jnoncrysol.2024.123377","url":null,"abstract":"<div><div>The removal efficiency of tetracycline (TC) by Fe-based amorphous (Fe<sup>am</sup>) alloy was investigated through batch experiments, examining the effects of TC concentration, initial pH, and environmental temperature on its removal performance. The experimental results indicate that Fe<sup>am</sup>, owing to its amorphous structure and excellent catalytic properties, has a TC removal rate that is 2.75 times greater than that of zero-valent iron (ZVI) powder. Within the range of initial pH values from 4 to 7, the degradation efficiency for TC remains high, with nearly all removal rates reaching 99 % after 30 min of treatment. The results suggest that the removal process is primarily attributed to adsorption (by Fe<sup>0</sup> and its corrosion products) and reduction. The pH significantly influences the formation of iron corrosion products and the variations in TC species. The reactive adsorbed Fe<sup>2+</sup> plays a crucial role in the removal process. In addition to demonstrating effective removal capabilities for TC, Fe<sup>am</sup> also exhibits excellent removal performance for oxytetracycline (OTC) hydrochloride and chlorotetracycline (CTC) hydrochloride, underscoring its broad applicability among tetracycline antibiotics. In summary, this study provides a novel approach for the removal of tetracycline antibiotics from water.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"650 ","pages":"Article 123377"},"PeriodicalIF":3.2,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138294","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

Mechanical properties of zeolitic imidazolate framework crystal-glass composites: A molecular dynamics study

IF 3.2 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids

Pub Date : 2024-12-31 DOI: 10.1016/j.jnoncrysol.2024.123379

Xiaoyi Xu , Tao Du , Morten M. Smedskjaer

Zeolitic imidazolate framework (ZIF) glasses have potential applications as battery materials or gas separation membranes, but this requires an improvement in their fracture resistance. In this study, we investigate the mechanical properties and fracture mechanism of ZIF crystal-glass composites using molecular dynamics simulations based on a recently developed machine learning force field. The composites are made from ZIF-4 or ZIF-zni crystals embedded in a melt-quenched ZIF-4 glass matrix. ZIF-4 and ZIF-zni share the same chemical composition (ZnIm₂, where Im is imidazole), but ZIF-zni has a denser crystal structure. By examining ZIF-4 glass based composites with different sizes and shapes of ZIF-4 and ZIF-zni crystals, we study the relationship between atomic-scale structure and mechanical properties. Our findings reveal that the structural differences between ZIF-4 and ZIF-zni crystals lead to distinct mechanical behaviors. The composites based on the stiffer ZIF-zni crystals exhibit greater resistance to irreversible atomic rearrangements compared to those based on ZIF-4 crystals, allowing for crack deflection around the crystals, thereby slightly increasing fracture toughness. Furthermore, the morphology of the crystals plays a crucial role in determining the crack path, influencing both crack deflection and the structural arrangement ability in the elastic state. Overall, the study identifies the key atomic-scale factors, such as the zinc bond switching propensity, for optimizing the mechanical properties of ZIF crystal-glass composites.

{"title":"Mechanical properties of zeolitic imidazolate framework crystal-glass composites: A molecular dynamics study","authors":"Xiaoyi Xu , Tao Du , Morten M. Smedskjaer","doi":"10.1016/j.jnoncrysol.2024.123379","DOIUrl":"10.1016/j.jnoncrysol.2024.123379","url":null,"abstract":"<div><div>Zeolitic imidazolate framework (ZIF) glasses have potential applications as battery materials or gas separation membranes, but this requires an improvement in their fracture resistance. In this study, we investigate the mechanical properties and fracture mechanism of ZIF crystal-glass composites using molecular dynamics simulations based on a recently developed machine learning force field. The composites are made from ZIF-4 or ZIF-zni crystals embedded in a melt-quenched ZIF-4 glass matrix. ZIF-4 and ZIF-zni share the same chemical composition (ZnIm<sub>2</sub>, where Im is imidazole), but ZIF-zni has a denser crystal structure. By examining ZIF-4 glass based composites with different sizes and shapes of ZIF-4 and ZIF-zni crystals, we study the relationship between atomic-scale structure and mechanical properties. Our findings reveal that the structural differences between ZIF-4 and ZIF-zni crystals lead to distinct mechanical behaviors. The composites based on the stiffer ZIF-zni crystals exhibit greater resistance to irreversible atomic rearrangements compared to those based on ZIF-4 crystals, allowing for crack deflection around the crystals, thereby slightly increasing fracture toughness. Furthermore, the morphology of the crystals plays a crucial role in determining the crack path, influencing both crack deflection and the structural arrangement ability in the elastic state. Overall, the study identifies the key atomic-scale factors, such as the zinc bond switching propensity, for optimizing the mechanical properties of ZIF crystal-glass composites.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"650 ","pages":"Article 123379"},"PeriodicalIF":3.2,"publicationDate":"2024-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138293","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Effect of Y2O3 on properties and structure of Nd-doped P2O5-Al2O3-ZnO glasses

IF 3.2 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids

Pub Date : 2024-12-31 DOI: 10.1016/j.jnoncrysol.2024.123381

Xinyu Liu , Xin Wang , Yan Sun , Hanmeng Zhang , Yichong Chen , He Feng , Lili Hu , Shubin Chen

Effect of the substitution of Y₂O₃ for Al₂O₃ in the phosphate glass, Nd³⁺: P₂O₅-Al₂O₃-ZnO, on glass structure and properties are investigated. With Al₂O₃ replaced by Y₂O₃, the decrease in coefficient of thermal expansion and Young's Modulus, as well as the increase in fracture toughness, lead to a significant improvement in thermal shock resistance. According to the NMR and Raman spectra, changes in the coordination of Al³⁺ from P-O-Al (6) bonds to P-O-Al (4) bonds and glass structure occur, resulting in inflection points in properties. Moreover, the fluorescence properties are measured and analyzed. The relationship between glass structure and physical (ρ, T_g, α), mechanical (E, H_V, K_IC), and optical properties (n, σ_ems, Δλ_eff, λ_P) are explained.

引用次数: 0

Terahertz-time domain spectroscopy and optical characterization of germanate glass systems for photonic applications

IF 3.2 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids

Pub Date : 2024-12-30 DOI: 10.1016/j.jnoncrysol.2024.123369

Haramanpreet Kaur , Ruturaj Puranik , Vibhavari Parkar , Snehal Haldankar , Fathimath Faseela , Shriganesh Prabhu , Sandeep Kaur , Neetu Verma , Gopi Sharma

The present work deals with the effect of the sodium content on the thermal, structural, ellipsometric, and THz properties of germanate glasses. The sodium germanate glasses of composition xNa₂O.(100-x)GeO₂ with 10 ≤x≤ 30 (mol%) are prepared by conventional melt quenching technique. The optical properties of sodium germanate (GN) glass system, including refractive index, dielectric constant, absorption coefficient and transmittance are measured at terahertz (THz) frequencies. High refractive index, n(THz) and high dielectric constant, ԑ(THz) of germanate glasses have been identified in the sub-terahertz region (0.2–1 THz). The wavelength-dependent refractive index, n(λ) has been analyzed with the ellipsometric analysis. The refractive index in the 1.52–1.65 range is obtained at the 550 nm wavelength for the present system. Optical properties are explained based on the structure investigated by Raman spectroscopy. Thermal stability factors are also examined with the differential thermal analysis (DTA) to relate the thermal and THz parameters for THz applications.

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