Shih-Yi Chuang , Tae-Min Yeo , Randi K. Swanson , Cristian Cano , Steven A. Feller , Scott J. McCormack , Sabyasachi Sen
{"title":"Trends in calorimetric fragility of normal and invert borate glasses","authors":"Shih-Yi Chuang , Tae-Min Yeo , Randi K. Swanson , Cristian Cano , Steven A. Feller , Scott J. McCormack , Sabyasachi Sen","doi":"10.1016/j.jnoncrysol.2024.123361","DOIUrl":"10.1016/j.jnoncrysol.2024.123361","url":null,"abstract":"<div><div>The compositional variation of the fragility index <em>m</em> in normal and invert Li- and Nd- borate glasses is measured using calorimetric techniques. The <em>m</em> of these liquids increases rapidly and monotonically from a value of ∼ 35 at O/<em>B</em> = 1.5 to reach a maximum value of 70–80 near O/B ∼ 2 upon network modification. In this composition region the rise in <em>m</em> can be linked to the contribution of the borate speciation reaction BO<sub>4</sub> <span><math><mi>⇌</mi></math></span> BO<sub>3</sub>+NBO to the configurational entropy of the liquid. Further addition of modifier results in <em>m</em> reaching a shallow minimum or a plateau in the region 2.0 ≤ <em>O</em>/<em>B</em> ≤ 2.4, but increases sharply again as O/B exceeds 2.5 until it reaches a higher plateau value of ∼ 120 for O/B ≥ 3.3. This increase in <em>m</em> is related to the temperature dependence of the speciation reaction M-O-<em>M</em> + <em>B</em>-O-B <span><math><mi>⇌</mi></math></span> 2 M-O-B (<em>M</em>= modifier cation) in an invert network.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"650 ","pages":"Article 123361"},"PeriodicalIF":3.2,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138372","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}
{"title":"Composition dependence of mechanically–induced structural rejuvenation in Cu–Zr–based metallic glass: A molecular dynamics study","authors":"Chupeng Xie, Pingjun Tao, Wei Zhang, Jiajie Hu, Shunxing Liang, Weitong Cai, Yuanzheng Yang","doi":"10.1016/j.jnoncrysol.2024.123360","DOIUrl":"10.1016/j.jnoncrysol.2024.123360","url":null,"abstract":"<div><div>This paper employs MD method to simulate cyclic loading within elastic limit of Cu<sub>x</sub>Zr<sub>100-x</sub> (<em>x</em> = 43, 50, 57, 64) metallic glass (MG) samples. The results indicate that cyclic loading can induce rejuvenation of all MG samples, and the degree of rejuvenation decreases with the increase in Cu content. Cyclic loading can not only increase the number and connectivity of icosahedral constituent atoms in all MG samples but also induce softening of all MG samples. The expected value of the softening degree of the Cu<sub>50</sub>Zr<sub>50</sub> MG sample is lower than the change trend of the rejuvenation degree. The reason is that MG samples with equiatomic ratio characteristics have a stronger ability to form highly connected icosahedral clusters. The softening degree of metallic glass samples induced by cyclic loading is jointly determined by the degree of rejuvenation and the degree of change in icosahedral structure.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"650 ","pages":"Article 123360"},"PeriodicalIF":3.2,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138373","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}
{"title":"Redox interaction in redox pair-doped alkali borosilicate melts","authors":"Inseo Kim , Kiseok Jeon , Kimoon Lee , Kidong Kim","doi":"10.1016/j.jnoncrysol.2024.123352","DOIUrl":"10.1016/j.jnoncrysol.2024.123352","url":null,"abstract":"<div><div>The redox interaction behaviors of two redox pairs (Fe+Ce and Fe+Sn) including a single Fe were investigated in alkali alumino-borosilicate melts. The equilibrium states of the melts at a constant temperature, as well as their oxygen equilibrium pressures was determined by potentiometry. The same melts were subjected to voltammetry in the same equilibrium state to examine the Fe redox potential. The interactions between the Fe and Ce or Sn, as determined by the Fe redox ratio based on real oxygen equilibrium pressures, were checked thermodynamically and explicitly manifested by the standard free energy. By comparison of the foregoing results for the melts with the Fe<sup>2+</sup> absorbance behavior at Vis-NiR spectra for the glasses, it was recognized that the redox interaction in the glass and melt state showed the same tendencies, supporting the derivation of the interaction from the melt state. Additionally, a comparison of the present melts with the results of a previous study on soda lime silicate melts was briefly discussed in terms of the redox interactions in the melt or glass state and the time required to reach the equilibrium state.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"650 ","pages":"Article 123352"},"PeriodicalIF":3.2,"publicationDate":"2024-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138423","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}
Fatima T. Yoshizawa , Anne-Céline Garel-Laurin , Ekaterina Burov , Michael J. Toplis
{"title":"Diffusive dissolution of α-alumina in industrial soda-lime silica glass","authors":"Fatima T. Yoshizawa , Anne-Céline Garel-Laurin , Ekaterina Burov , Michael J. Toplis","doi":"10.1016/j.jnoncrysol.2024.123351","DOIUrl":"10.1016/j.jnoncrysol.2024.123351","url":null,"abstract":"<div><div>This study advances the understanding of alumina dissolution mechanisms in industrial soda-lime-silica glass. Electron Probe Micro-Analysis (EPMA) revealed diffusion-controlled behavior between 1300 and 1450 ° C, with interface melt compositions varying significantly with temperature. These variations align with thermodynamic predictions. At temperatures <span><math><mo>≥</mo></math></span> 1400 °C, the interface enters the peraluminous field, while at lower temperatures, it lies in the domain of excess charge-balancing cations. Compositional profiles, including uphill diffusion at <span><math><mo>≥</mo></math></span> 1400 °C, necessitate a multicomponent diffusion matrix approach. Two primary exchange mechanisms are identified: the first involves alumina and charge-balancing cations (mainly Mg+Ca), and the second involves silica and charge-balanced alumina. However, alumina diffusivity can be approximated using an effective binary diffusion coefficient (EBDC), which correlates with the viscosity of the interface melt, even when a viscosity maximum is present. These results emphasize the importance of multicomponent approaches to understanding mineral dissolution and diffusion, particularly in peraluminous systems.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"650 ","pages":"Article 123351"},"PeriodicalIF":3.2,"publicationDate":"2024-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138369","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}
Takuto Hashimi , Masaya Inuzuka , Koji Yazawa , Julian R. Jones , Akiko Obata , Toshihiro Kasuga
{"title":"Ga incorporation into calcium silicate sol–gel bioactive glasses: Effect of Ga on glass structure and ion release behavior","authors":"Takuto Hashimi , Masaya Inuzuka , Koji Yazawa , Julian R. Jones , Akiko Obata , Toshihiro Kasuga","doi":"10.1016/j.jnoncrysol.2024.123350","DOIUrl":"10.1016/j.jnoncrysol.2024.123350","url":null,"abstract":"<div><div>SiO₂–CaO-based sol–gel glasses are well known bioactive materials; however, there remains a concern about the rapid pH increase in their surroundings after implantation in the body due to the burst release of calcium ions (Ca<sup>2+</sup>) from the glasses. In this study, we incorporated gallium oxide, which is an intermediate oxide, into SiO₂–CaO sol–gel glasses to evaluate its effect on the glass structure and ion release behavior. The release of Ca<sup>2+</sup> from the glasses at the initial stage of immersion in a buffer solution was suppressed by the incorporation of Ga in a dose-dependent manner. Ga was found to be primarily in tetrahedral coordination in the glasses. Thus, Ga served as a network former in the silicate network, forming a tetrahedral coordination unit and a charge balanced by Ca<sup>2+</sup> ions. The viability of fibroblast-like cells was significantly higher for Ga-incorporated glass compared to nonincorporated glass.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"650 ","pages":"Article 123350"},"PeriodicalIF":3.2,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143138422","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}
{"title":"Crystallization of CoWB ternary boride in nickel-based metallic glass","authors":"Ziya Ozgur Yazici , Aytekin Hitit , Hakan Sahin","doi":"10.1016/j.jnoncrysol.2024.123343","DOIUrl":"10.1016/j.jnoncrysol.2024.123343","url":null,"abstract":"<div><div>The crystallization kinetics of CoWB ternary boride were investigated through non-isothermal differential scanning calorimetry experiments, using a Ni-based metallic glass precursor as the starting material. The effects of isothermal heat treatment temperature on the phase evolutions were also systematically studied. The results showed that the melt crystallization and glass crystallization behaviors of the alloy differ from each other. The continuous heating transformation diagram plotted from non-isothermal analyses is consistent with the results of isothermal heat treatments. A broad ternary boride precipitation zone was demonstrated, involving the gradual precipitation of CoWB crystals. Avrami exponent values for the early crystallization stage showed that the crystallization mechanism of CoWB is governed by the interface-controlled three-dimensional growth mechanism, and nucleation rate is high. As the crystallization progresses, a diffusion-controlled growth occurs and the nucleation rate decreases. This study offers insights into the heat treatment of CoWB-reinforced nickel matrix nanocomposites, benefiting future research and industrial production processes.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"650 ","pages":"Article 123343"},"PeriodicalIF":3.2,"publicationDate":"2024-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142756632","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}
Yu-Wei You , Yuqing Wei , Jinwei Xuan , Qi Zhu , Xinhua Li , Kui Hou , D. Yao , Li Wang , Dongdong Li
{"title":"Formation and annihilation of point defects in SiO2 glass during neutron irradiation and annealing","authors":"Yu-Wei You , Yuqing Wei , Jinwei Xuan , Qi Zhu , Xinhua Li , Kui Hou , D. Yao , Li Wang , Dongdong Li","doi":"10.1016/j.jnoncrysol.2024.123342","DOIUrl":"10.1016/j.jnoncrysol.2024.123342","url":null,"abstract":"<div><div>We perform systematic molecular dynamics (MD) simulations to explore the evolution of point defects in SiO<sub>2</sub> glass during neutron irradiation and annealing. Our results suggest that the numbers of point-defects nonbridging oxygens (NBO) and E′-type center increase significantly within 0.2 ps, and then decrease gradually over 0.2 ps. The numbers of point-defects oxygen deficient centers (ODC), peroxy linkages (POL) and peroxy radicals (POR) present gradual increase tendency within 0.2 ps. The number of these point defects is in direct proportion to the kinetic energies of the primary knock-on atoms. During annealing, we consider the situations that SiO<sub>2</sub> glass is irradiated by neutron at 1000 K, 1500 K and 2000 K. It is found that point defects disappear quickly during annealing and it qualitatively agrees with the literature results, where E’, ODC and NBOs in irradiated silica glasses are bleached when annealing at temperatures exceeding 550 °C. Finally, we consider the vibrational density of states of SiO<sub>2</sub>, and find that the low-frequency (0.1∼0.5 THz) vibrational density of states is greatly enhanced.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"650 ","pages":"Article 123342"},"PeriodicalIF":3.2,"publicationDate":"2024-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142756633","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}
Zijuan Du , Zhitao Shan , Ang Qiao , Haizheng Tao , Yuanzheng Yue
{"title":"Tantalum-lanthanum mixing effect on structural and mechanical properties of aluminate glasses","authors":"Zijuan Du , Zhitao Shan , Ang Qiao , Haizheng Tao , Yuanzheng Yue","doi":"10.1016/j.jnoncrysol.2024.123340","DOIUrl":"10.1016/j.jnoncrysol.2024.123340","url":null,"abstract":"<div><div>Aluminate glasses are known for their superior mechanical and optical properties. Here, we investigated the tantalum (Ta)-lanthanum (La) mixing effect on structural and mechanical properties of these glasses. Using the aerodynamic levitation and laser melting technique, we prepared a series of aluminate glasses with the molar composition 54Al<sub>2</sub>O<sub>3</sub>·(46-x)La<sub>2</sub>O<sub>3</sub>·xTa<sub>2</sub>O<sub>5</sub>, where <em>x</em> = 0.0, 9.2, 18.4, 23.0, 32.2, 36.8, and 46.0. The structural, thermal, and mechanical analyses revealed that substituting Ta for La strongly impacted the local Al environment in the glasses, thereby affecting their glass transition temperature and mechanical properties. The Vickers microhardness (<em>H</em><sub>V</sub>) varied non-monotonically with the molar ratio <em>R</em> (defined as Ta/(Ta+La) = <em>x</em>/46), reaching a maximum <em>H</em><sub>V</sub> value of 8.59 GPa at <em>R</em> = 0.8. This trend was explained in terms of both the average bond energy and the bond number density. Moreover, the crack initiation resistance of the studied glasses increased as <em>R</em> rose. This work aids in the design of oxide glasses with high crack resistance and hardness.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"650 ","pages":"Article 123340"},"PeriodicalIF":3.2,"publicationDate":"2024-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142756634","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}
Ivan Indutnyi, Sergii Mamykin, Viktor Mynko, Mykola Sopinskyy, Volodymyr Romanyuk, Andrii Korchovyi
{"title":"Kinetics of thermal and photoinduced diffusion of Ag into thin layers of chalcogenide glasses","authors":"Ivan Indutnyi, Sergii Mamykin, Viktor Mynko, Mykola Sopinskyy, Volodymyr Romanyuk, Andrii Korchovyi","doi":"10.1016/j.jnoncrysol.2024.123333","DOIUrl":"10.1016/j.jnoncrysol.2024.123333","url":null,"abstract":"<div><div>This study examines the kinetics of thermal diffusion of silver in Ag-GeSe<sub>2</sub> and Ag- As<sub>10</sub>Ge<sub>30</sub>S<sub>60</sub> thin film structures during prolonged storage in the dark at room temperature, as well as the effects of plasmon-enhanced photostimulated diffusion of silver into As<sub>10</sub>Ge<sub>30</sub>S<sub>60</sub> films. Ag diffraction gratings with a period of 519 nm were used to excite surface plasmon-polaritons (SPP) at the silver-chalcogenide glass interface. It was found that the thermal diffusion coefficient of silver into GeSe<sub>2</sub> is significantly higher than into As<sub>10</sub>Ge<sub>30</sub>S<sub>60</sub>. For Ag– As<sub>10</sub>Ge<sub>30</sub>S<sub>60</sub>, photostimulated silver diffusion coefficients were measured with and without SPP excitation. SPP excitation triples the photostimulated Ag flux into As<sub>10</sub>Ge<sub>30</sub>S<sub>60</sub>. Although photosensitivity decreases over time, the plasmon-stimulated increase in Ag flux remains stable. Additionally, As<sub>10</sub>Ge<sub>30</sub>S<sub>60</sub> thermally doped with silver shows much higher optical absorption at the probing wavelength compared to the photodoped layer with the same silver concentration. Possible mechanisms of these layers formation are discussed.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"649 ","pages":"Article 123333"},"PeriodicalIF":3.2,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744111","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}