Journal of Non-crystalline Solids最新文献

{"title":"Viscosity of liquid Co-Cu alloys","authors":"О.A. Chikova ,&nbsp;V.S. Tsepelev ,&nbsp;N.I. Sinitsin ,&nbsp;K． Yu． Shmakova ,&nbsp;V.V. V'yukhin","doi":"10.1016/j.jnoncrysol.2025.123481","DOIUrl":"10.1016/j.jnoncrysol.2025.123481","url":null,"abstract":"<div><div>The paper presents original experimental data on the kinematic viscosity of liquid Co-Cu alloys with Cu contents of 10, 20, 30, 40, 50, 60, 70, 80, and 90 at.%. The measurements were conducted during heating from the liquidus temperature, <em>T_L</em>, to 2000 K, followed by cooling of the melt to the stratification temperature, <em>T**</em>. The liquidus temperature, <em>T_L</em>, and the melt stratification temperature, <em>T**</em>, were determined based on viscosimetric experiments. A change in the viscous flow regime of the melt during heating was observed at a specific temperature, <em>T*</em>, for each composition. This change is described by variations in the parameters of the Arrhenius equation: the pre-exponential factor and the activation energy. The authors attribute the change in the viscous flow regime at <em>T*</em> to a liquid-liquid structural transition.</div><div>An analysis of the temperature dependences of the viscosity of Co-Cu melts with Cu contents of 30, 40, 60, and 80 at.% in the temperature range from <em>T_L</em> to <em>T*</em>, based on the theory of rate processes, indirectly indicates the presence of dispersed particles larger than 2 nm. These particles are enriched in one of the components, suspended in a medium of different composition, and separated by an interphase boundary. The concentration dependence of the viscosity of Co-u melts reveals pronounced minima at approximately 30 at.% and 70 at.% Cu, which can be explained by the two-phase structure of the metal before melting.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"656 ","pages":"Article 123481"},"PeriodicalIF":3.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143521103","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":"Molecular dynamics simulation of dynamic stretching of borosilicate glass","authors":"Fugang Wang ,&nbsp;Fan Yang ,&nbsp;Jiangtao Zhao ,&nbsp;Peng Lv ,&nbsp;Hengzhi Sun ,&nbsp;Ahsan Ejaz ,&nbsp;Tieshan Wang","doi":"10.1016/j.jnoncrysol.2025.123475","DOIUrl":"10.1016/j.jnoncrysol.2025.123475","url":null,"abstract":"<div><div>Sodium borosilicate (NBS) glass is a potential material for high-level radioactive waste storage, with its mechanical properties critical to its stability under deep geological disposal conditions. This study investigates the effects of the <em>K</em> value (SiO₂/B₂O₃ in mole percent), temperature, and strain rate on the Young's modulus, tensile strength, and fracture strain of NBS glass using molecular dynamics simulation. Results show that increasing the <em>K</em> value enhances tensile strength and fracture strain linearly. The transition from elastic to plastic deformation is driven by the conversion of Si-O structures. Young's modulus and tensile strength decrease linearly with rising temperature, but elevated temperatures also induce plastic flow, shifting the fracture behavior from brittle to ductile. Microstructural analysis reveals that higher temperatures accelerate B-O and Si-O structure conversion, increasing the strain needed for plastic deformation. Moreover, higher strain rates improve both Young's modulus and tensile strength.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"655 ","pages":"Article 123475"},"PeriodicalIF":3.2,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143509636","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":"Effect of Gd on the devitrification and magnetic properties of [(Fe0.6Co0.4)0.75Si0.05B0.20]96-xNb4Gdx metallic glasses","authors":"J. Torrens-Serra ,&nbsp;B. Kustov ,&nbsp;P. Bruna","doi":"10.1016/j.jnoncrysol.2025.123460","DOIUrl":"10.1016/j.jnoncrysol.2025.123460","url":null,"abstract":"<div><div>The influence of microalloying with Gd on the thermal stability, crystallization and magnetic properties of [Fe_0.6Co_0.4)_0.75Si_0.05B_0.20]_96-xNb₄Gd_x (x=0,1,2,5) metallic glasses was examined. Various glass-forming ability criteria were calculated based on thermal characteristics obtained by differential scanning calorimetry for melt-spun ribbons and compared to the maximum size achieved of the alloys via direct rod casting. Although thermodynamic-based criteria predict larger glass-forming ability for the alloy with higher Gd content, x=5 alloy showed the lowest ability to form full glassy rods. The structural evolution after first crystallization event was analyzed by x-ray diffraction and Transmission Mössbauer spectroscopy. The observed changes in the precipitated phases in x=5 alloy compared to x=0,1,2 alloys are associated to the decrease in the glass-forming ability. The formation of phases other than (FeCo)₂₃B₆ phase in x=5 alloy is responsible for not achieving fully glassy rods. Additionally, the magnetic properties of glassy ribbons are significantly affected by the addition of Gd. Saturation magnetization and Curie temperature decrease as Gd content increases.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"655 ","pages":"Article 123460"},"PeriodicalIF":3.2,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143509634","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":"Theoretical analysis on the correlations between the mechanical properties and structures of (100-x)GeS2-xSb2S3 chalcogenide glasses","authors":"Ping Lu ,&nbsp;Xingyu Wu ,&nbsp;Jianqing Yang ,&nbsp;Yinsheng Xu ,&nbsp;Mengling Xia ,&nbsp;Dong Wu","doi":"10.1016/j.jnoncrysol.2025.123461","DOIUrl":"10.1016/j.jnoncrysol.2025.123461","url":null,"abstract":"<div><div>The poor mechanical properties are the bottle neck for the applications of chalcogenide glasses to the integrated devices for infrared sensing and imaging. In this study, a series of (100-<em>x</em>)GeS₂-<em>x</em>Sb₂S₃ glasses were synthesized with the substitutional addition of Sb₂S₃ into the Ge-S glass network, and the mechanical properties were affected accordingly. Linear relations were found between the hardness of the <em>GSSx</em> glasses and the topological constraints. The conventional Makishima-Mackenzie model underestimated the elastic moduli of the ternary chalcogenide glasses, while it is promising to quantify the moduli in terms of free energy density of the topological constraints. The creep stress exponent was found to vary with the evolution of glass network rather than the variation of topological constraint. Lastly, the fracture toughness seems to be insensitive to the topological constraints, and the improved local ductility was suggested to occur in the <em>GSSx</em> glasses with high Sb content.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"655 ","pages":"Article 123461"},"PeriodicalIF":3.2,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143509635","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":"Stable synthesis of high aspect ratio submicron SiO2 wires by wet chemical methods","authors":"Tianfeng Yang,&nbsp;Dongxue Ren,&nbsp;Xiaping Zhu,&nbsp;Qing Li,&nbsp;Haiyan Li,&nbsp;Jia Chen,&nbsp;Hongyi Sun,&nbsp;Yonghua Sun","doi":"10.1016/j.jnoncrysol.2025.123473","DOIUrl":"10.1016/j.jnoncrysol.2025.123473","url":null,"abstract":"<div><div>This study presents a method for the production of SiO₂ wires in a system composed of isopropanol, polyvinylpyrrolidone, ammonia and sodium citrate. The typical wires were mildly curved with an average diameter of 500 nm and an aspect ratio up to 60 or more. A 50-fold expansion of this process still gave stable wires with a yield of about 86 %. Monitoring the sodium levels along the SiO₂ wires revealed that sodium was present in different parts of the wires. Based on this phenomenon, we propose a growth mechanism for SiO₂ wires. The present system produces SiO₂ wires more stably and efficiently than the previously reported n-pentanol-PVP-ammonia-sodium citrate method, while significantly reducing both the amount of PVP and the preparation time.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"655 ","pages":"Article 123473"},"PeriodicalIF":3.2,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471734","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":"Impact of the silica glass initial state on the thermal and structural properties of metamict-like silica glass","authors":"N. Shchedrina ,&nbsp;M. Lancry ,&nbsp;T. Charpentier ,&nbsp;D. Neuville ,&nbsp;N. Ollier","doi":"10.1016/j.jnoncrysol.2025.123463","DOIUrl":"10.1016/j.jnoncrysol.2025.123463","url":null,"abstract":"<div><div>This study investigates the structural and thermal stability of metamict-like silica glass samples prepared through different thermomechanical pathways and then subjected to the same high dose of electron irradiation (11 GGy). Specifically, we compared Suprasil F300 silica glass samples treated with high-pressure high-temperature (HPHT) conditions followed by irradiation to those solely irradiated. Additionally, Suprasil CG samples were analyzed to investigate the effect of silica impurities (e.g. OH) on the resulting state. Using Raman and FTIR spectroscopy, along with photoluminescence spectroscopy, we analyzed the vibrational structure and point defects changes. The activation energy distribution of the densification relaxation process was calculated to assess its thermal stability in a reliable manner. The results demonstrate that, despite achieving similar densities and vibrational structures in the metamict-like state, the initial structure of silica significantly influences the thermal stability and the resulting point defects population.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"655 ","pages":"Article 123463"},"PeriodicalIF":3.2,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471733","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":"Synthesis and luminescence investigation of Eu3+ and Dy3+ doped NaAl(PO3)4 glass for solid state lighting applications","authors":"Yash D. Narad ,&nbsp;Yatish R. Parauha ,&nbsp;Sanjay J. Dhoble","doi":"10.1016/j.jnoncrysol.2025.123446","DOIUrl":"10.1016/j.jnoncrysol.2025.123446","url":null,"abstract":"<div><div>Phosphite based glass phosphors have been a potential candidate in the field of luminescent spectroscopy. In this respect, the proposed work of Eu³⁺ and Dy³⁺ doped NaAl(PO₃)₄ glass samples prepared by melt quenching synthesis technique. The emission spectrum of Eu³⁺ doped NaAl(PO₃)₄ glass demonstrate sharp and intense peaks at 594 nm and 614 nm region ascribed to typical ⁵D₀→⁷F₁ and ⁵D₀→⁷F₂ transitions of Eu³⁺ ions. In the case of Dy³⁺ doped NaAl(PO₃)₄ glasses, emission spectra display an emission band at 482 nm (blue colour) and 576 nm (yellow colour) due to the ⁴F_9/2 to ⁶H_15/2 and ⁴F_9/2 to ⁶H_13/2 transitions of Dy³⁺ ions. Furthermore, Commission Internationale de l'Éclairage (CIE) chromaticity coordinates and colour purity of the prepared samples were calculated using a CIE colour calculator. The CIE chromaticity diagram depicts coordinate in the near red and near white color region for Eu³⁺ and Dy³⁺ doped samples, respectively. According to obtained results, it was found that prepared glass samples have a huge potential for future investigation in the field of solid-state lighting and display devices.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"655 ","pages":"Article 123446"},"PeriodicalIF":3.2,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143454782","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":"Enhanced structural description of sodium vanadium phosphate glasses: A combined experimental and molecular dynamics study","authors":"S.D. Wansi Wendji ,&nbsp;R. Piotrowski ,&nbsp;C. Massobrio ,&nbsp;M. Boero ,&nbsp;C. Tugène ,&nbsp;F. Shuaib ,&nbsp;D. Hamani ,&nbsp;P.-M. Geffroy ,&nbsp;P. Thomas ,&nbsp;A. Bouzid ,&nbsp;O. Masson ,&nbsp;G. Delaizir ,&nbsp;G. Ori","doi":"10.1016/j.jnoncrysol.2025.123420","DOIUrl":"10.1016/j.jnoncrysol.2025.123420","url":null,"abstract":"<div><div>Structural and bonding insights into sodium vanadium phosphate (NVP) glasses are crucial for optimizing their performance as cathode materials in sodium-ion batteries. This study quantitatively assesses the structural features and bonding characteristics of two NVP glass compositions: (Na<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O)<span><math><msub><mrow></mrow><mrow><mi>α</mi></mrow></msub></math></span>–(V<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span>O<span><math><mi>y</mi></math></span>)<span><math><msub><mrow></mrow><mrow><mrow><mo>(</mo><mn>1</mn><mo>−</mo><mn>2</mn><mi>α</mi><mo>)</mo></mrow></mrow></msub></math></span>–(P<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>5</mn></mrow></msub></math></span>)<span><math><msub><mrow></mrow><mrow><mi>α</mi></mrow></msub></math></span> with <span><math><mrow><mi>α</mi><mo>=</mo></mrow></math></span> 0.375, 0.285. We combine experimental characterization (differential scanning calorimetry, X-ray diffraction and X-ray photoelectron spectroscopy,) and atomistic modeling (classical molecular dynamics (CMD), and Born–Oppenheimer molecular dynamics (BOMD)). This work provides a quantitative analysis of the different VO<span><math><msub><mrow></mrow><mrow><mi>n</mi></mrow></msub></math></span> units in the two NVP glass models, superseding previous knowledge based largely on CMD simulations. Our results show that the account of the electronic structure, inherent in BOMD simulations is essential for capturing the V<img>O bonding environment. This includes the splitting of the V<img>O peak in the pair distribution function due to both short V<img>O and longer V<img>O bonds, a higher degree of polymerization in the phosphate network and a more significant role for V<span><math><msup><mrow></mrow><mrow><mn>5</mn><mo>+</mo></mrow></msup></math></span> as a network former.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"655 ","pages":"Article 123420"},"PeriodicalIF":3.2,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143454835","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":"Linking the ring-morphology of (Li2O)x(B2O3)100-x and (Na2O)x(B2O3)100-x borate glasses with topological phases and melt dynamics","authors":"Kandasamy Vignarooban,&nbsp;Charles Skipper,&nbsp;Aaron Welton,&nbsp;Punit Boolchand","doi":"10.1016/j.jnoncrysol.2025.123450","DOIUrl":"10.1016/j.jnoncrysol.2025.123450","url":null,"abstract":"<div><div>Raman scattering and calorimetric measurements on lithium borate, (Li₂O)_x(B₂O₃)_100-x, and sodium borate, (Na₂O)_x(B₂O₃)_100-x, glasses, 0 &lt; <em>x</em> &lt; 45 %, were undertaken to elucidate the role of glass molecular structure on the topological phases and melt dynamics. For (Na₂O)_x(B₂O₃)_100-x glasses, a wide square-well like variation of the enthalpy of relaxation at the glass transition was observed, showing an intermediate phase (IP) in the 20 % &lt; <em>x</em> &lt; 40 % range of soda. Raman results reveal the IP to be correlated with the existence of six unique <u>I</u>sostatically <u>R</u>igid <u>L</u>ocal <u>S</u>tructures (ISRLSs) which have <em>characteristic ring morphologies</em> appearing <em>sequentially with increasing soda concentration across the IP.</em> Additionally, several narrowly defined Gaussian-like fragility index, <em>m</em>, minima are observed to manifest in the 15 &lt; <em>m</em> &lt; 20 range, which appear <em>sequentially with increasing mol x%</em> and directly correspond to the <em>stoichiometry of the six molecular ring based ISRLS</em>. Parallel results are observed for (Li₂O)_x(B₂O₃)_100-x.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"654 ","pages":"Article 123450"},"PeriodicalIF":3.2,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143437218","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}

{"title":"Revisiting multiple trapping and release charge transport in amorphous semiconductors exemplified by hydrogenated amorphous silicon","authors":"Yuezhou Luo,&nbsp;Andrew John Flewitt","doi":"10.1016/j.jnoncrysol.2025.123436","DOIUrl":"10.1016/j.jnoncrysol.2025.123436","url":null,"abstract":"<div><div>Multiple trapping and release (MTR) is a typical charge transport mechanism associated with localized states in technologically important disordered semiconductors such as hydrogenated amorphous silicon (<em>a</em>-Si:H) and many amorphous oxides. However, till now the analysis of MTR has been built on an “abrupt” mobility edge model. Using electron transport as an example, the abrupt mobility edge model assumes that: (i) states above the conduction band (CB) mobility edge (<em>E_C</em>) are extended and any of them is omnipresent in space, whereas states below <em>E_C</em> are localized and they exist in the energy-space diagram as pointlike sites; (ii) all states are evenly distributed in space. The prequel to this paper [Y. Luo and A. Flewitt, Phys. Rev. B <strong>109</strong>, 104203 (2024)] demonstrates that neither of these simplifications is valid. Hence, this paper reinvestigates MTR transport. Through a probabilistic analysis of the microscopic charge transport details, this paper rigorously achieves two critical conclusions that challenge previous beliefs. First, the mobility edge, which is characterizable through activation energy measurement of conductivity, is an effective quantity associated with carrier relaxation dynamics; it does not demarcate the extended states and localized states of an amorphous semiconductor. Second, the extended-state mobility, which is extractable from time-of-flight experiments, is also an effective quantity that is higher than the mobility of free carriers in the material.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"654 ","pages":"Article 123436"},"PeriodicalIF":3.2,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143446078","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}