Journal of Non-crystalline Solids最新文献

英文中文

Crystallization of CoWB ternary boride in nickel-based metallic glass 镍基金属玻璃中cob三元硼化物的结晶

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

Journal of Non-crystalline Solids

Pub Date : 2024-11-30 DOI: 10.1016/j.jnoncrysol.2024.123343

Ziya Ozgur Yazici , Aytekin Hitit , Hakan Sahin

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.

以镍基金属玻璃前驱体为原料，采用非等温差示扫描量热法研究了cob三元硼化物的结晶动力学。系统地研究了等温热处理温度对相演变的影响。结果表明，合金的熔融结晶和玻璃结晶行为不同。由非等温分析绘制的连续加热转变图与等温热处理的结果一致。广泛的三元硼化物析出区，包括逐渐析出的cob晶体。早期结晶阶段的Avrami指数值表明，cob的结晶机制受界面控制的三维生长机制支配，成核速率高。随着结晶的进行，发生扩散控制生长，成核速率降低。该研究为cob增强镍基纳米复合材料的热处理提供了新的思路，有利于未来的研究和工业生产过程。

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引用次数: 0

Formation and annihilation of point defects in SiO2 glass during neutron irradiation and annealing 中子辐照和退火过程中SiO2玻璃点缺陷的形成和湮灭

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

Journal of Non-crystalline Solids

Pub Date : 2024-11-30 DOI: 10.1016/j.jnoncrysol.2024.123342

Yu-Wei You , Yuqing Wei , Jinwei Xuan , Qi Zhu , Xinhua Li , Kui Hou , D. Yao , Li Wang , Dongdong Li

We perform systematic molecular dynamics (MD) simulations to explore the evolution of point defects in SiO₂ 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 SiO₂ 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 SiO₂, and find that the low-frequency (0.1∼0.5 THz) vibrational density of states is greatly enhanced.

本文采用系统的分子动力学（MD）模拟研究了SiO2玻璃在中子辐照和退火过程中点缺陷的演化。结果表明：点缺陷非桥氧（NBO）和E′型中心的数量在0.2 ps内显著增加，在0.2 ps后逐渐减少，点缺陷缺氧中心（ODC）、过氧键（POL）和过氧自由基（POR）的数量在0.2 ps内呈逐渐增加的趋势，这些点缺陷的数量与初敲原子的动能成正比。在退火过程中，我们考虑了SiO2玻璃在1000 K、1500 K和2000 K的中子辐照情况。发现点缺陷在退火过程中迅速消失，定性结果与文献结果一致，其中辐照石英玻璃中的E′、ODC和NBOs在超过550℃退火时发生脱色。最后，我们考虑了SiO2的态的振动密度，发现低频（0.1 ~ 0.5 THz）态的振动密度大大增强。

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引用次数: 0

Tantalum-lanthanum mixing effect on structural and mechanical properties of aluminate glasses 钽镧混合对铝酸盐玻璃结构和力学性能的影响

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

Journal of Non-crystalline Solids

Pub Date : 2024-11-30 DOI: 10.1016/j.jnoncrysol.2024.123340

Zijuan Du , Zhitao Shan , Ang Qiao , Haizheng Tao , Yuanzheng Yue

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 54Al₂O₃·(46-x)La₂O₃·xTa₂O₅, where x = 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 (H_V) varied non-monotonically with the molar ratio R (defined as Ta/(Ta+La) = x/46), reaching a maximum H_V value of 8.59 GPa at R = 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 R rose. This work aids in the design of oxide glasses with high crack resistance and hardness.

铝酸盐玻璃以其优异的机械和光学性能而闻名。在这里，我们研究了钽(Ta)-镧（La）混合对这些玻璃的结构和力学性能的影响。采用空气动力学悬浮和激光熔化技术制备了摩尔成分为54Al2O3·（46-x）La2O3·xTa2O5的铝酸盐玻璃，其中x = 0.0、9.2、18.4、23.0、32.2、36.8和46.0。结构、热、力学分析表明，Ta取代La对玻璃中的局部Al环境产生强烈影响，从而影响玻璃的玻璃化转变温度和力学性能。维氏显微硬度（HV）随摩尔比R（定义为Ta/(Ta+La) = x/46）呈非单调变化，在R = 0.8时达到最大值8.59 GPa。这种趋势可以用平均键能和键数密度来解释。随着R的增大，玻璃的抗裂能力也随之增大。这项工作有助于设计具有高抗裂性和高硬度的氧化玻璃。

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引用次数: 0

Kinetics of thermal and photoinduced diffusion of Ag into thin layers of chalcogenide glasses 银在硫系玻璃薄层中的热光诱导扩散动力学

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

Journal of Non-crystalline Solids

Pub Date : 2024-11-29 DOI: 10.1016/j.jnoncrysol.2024.123333

Ivan Indutnyi, Sergii Mamykin, Viktor Mynko, Mykola Sopinskyy, Volodymyr Romanyuk, Andrii Korchovyi

This study examines the kinetics of thermal diffusion of silver in Ag-GeSe₂ and Ag- As₁₀Ge₃₀S₆₀ 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 As₁₀Ge₃₀S₆₀ 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 GeSe₂ is significantly higher than into As₁₀Ge₃₀S₆₀. For Ag– As₁₀Ge₃₀S₆₀, photostimulated silver diffusion coefficients were measured with and without SPP excitation. SPP excitation triples the photostimulated Ag flux into As₁₀Ge₃₀S₆₀. Although photosensitivity decreases over time, the plasmon-stimulated increase in Ag flux remains stable. Additionally, As₁₀Ge₃₀S₆₀ 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.

本研究考察了银在Ag- gese2和Ag- As10Ge30S60薄膜结构在室温下长时间黑暗储存过程中的热扩散动力学，以及等离子体增强光刺激下银在As10Ge30S60薄膜中的扩散效应。利用周期为519 nm的银衍射光栅在银硫系玻璃界面激发表面等离子体极化子（SPP）。结果表明，银在GeSe2中的热扩散系数明显高于在As10Ge30S60中的热扩散系数。对于Ag - As10Ge30S60，在SPP激励和不SPP激励下测量了光刺激银的扩散系数。SPP激发使As10Ge30S60的光激发银通量增加了三倍。虽然光敏性随时间而降低，但等离子体激发的银通量增加保持稳定。此外，与具有相同银浓度的光掺杂层相比，热掺杂的As10Ge30S60在探测波长处表现出更高的光吸收。讨论了这些层形成的可能机制。

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引用次数: 0

Corrigendum to “The eminence of copper ions on optical, electrical properties and morphology of B2O3-Bi2O3-Al2O3-MgO glasses” [Journal of Non-Crystalline Solids, 564 (2021) 120884] “铜离子对B2O3-Bi2O3-Al2O3-MgO玻璃的光学、电学性能和形貌的影响”的更正[j] .非结晶固体学报，564(2021)120884。

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

Journal of Non-crystalline Solids

Pub Date : 2024-11-28 DOI: 10.1016/j.jnoncrysol.2024.123331

G. Krishn Priya , S. Yusub , A. Ramesh Babu , N. Sree Ram , K. Rama Krishna , V. Aruna

引用次数: 0

Thermodynamic and kinetic investigation on crystallization of photosensitive glass-ceramics via molecular dynamics 光敏微晶玻璃结晶的分子动力学和热力学研究

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

Journal of Non-crystalline Solids

Pub Date : 2024-11-28 DOI: 10.1016/j.jnoncrysol.2024.123332

Weirong Huo , Guoqing Wang , Tianlai Yu , Bin Hu , Gang Ye , Bin Lin

Photosensitive glass-ceramics serves as a crucial support for advancement of integrated circuits in post Moore era. Nevertheless, current research lacks an in-depth discussion of crystallization and nucleation mechanisms induced by nucleating agents. Here, we select new AgSbO₃ nucleating agents and conduct a detailed thermodynamic and kinetic investigation of its promoting effects in Li₂SiO₃ using first-principles molecular dynamics. Statistical results from pair distribution functions indicate that in the presence of AgSbO₃ nucleating agents in Li₂SiO₃, the structure tends to exhibit a more crystalline distribution. The diffusion coefficient of Li ions in AgSbO₃–Li₂SiO₃ is 0.47 × 10^–6 cm²/s, which is one-tenth of the value of Li ions in amorphous Li₂SiO₃. Additionally, a molecular dynamics approach was employed to screen and analyze motion trajectories of 16 lithium ions. All of these data suggest that AgSbO₃ nucleating agents can accelerate crystallization of Li₂SiO₃. This work provides an atomic-scale discussion of nucleating agents' effects in photosensitive glass-ceramics.

光敏微晶玻璃是后摩尔时代集成电路发展的重要支撑。然而，目前的研究缺乏对成核剂诱导结晶和成核机制的深入探讨。在此，我们选择了新的AgSbO3成核剂，并利用第一性原理分子动力学对其在Li2SiO3中的促进作用进行了详细的热力学和动力学研究。对分布函数的统计结果表明，当AgSbO3成核剂存在于Li2SiO3中时，结构倾向于呈现更结晶的分布。锂离子在AgSbO3-Li2SiO3中的扩散系数为0.47 × 10-6 cm2/s，为非晶Li2SiO3中锂离子的十分之一。此外，采用分子动力学方法对16种锂离子的运动轨迹进行了筛选和分析。这些数据表明，AgSbO3成核剂可以加速Li2SiO3的结晶。本文从原子尺度上讨论了成核剂在光敏玻璃陶瓷中的作用。

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引用次数: 0

On the formation of metallic glass 关于金属玻璃的形成

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

Journal of Non-crystalline Solids

Pub Date : 2024-11-28 DOI: 10.1016/j.jnoncrysol.2024.123329

Jian Guo Wang

The high cooling rate needed for preparing the metallic glass (MG) makes the nonequilibrium nature of glass formation more prominent and requires a better quenching technique than ever before. Here, the cooling process is formulated analytically to reveal the determinants for cooling rate, and the crystallization time with consideration of phase diagram is calculated. Based on the reduced glass transition temperature, T_rg, for measuring the glass-forming ability (GFA), a more reasonable ΔT_rg is presented. Glass transition, especially in ever glass whose ground state is of glass, is discussed in terms of thermodynamics for phase transition. A fundamental law concerning the changing rate of entropy in a closed system is proposed to underlie the physics for glass formation. These results may help understand the glass formation principally and develop new and robust MGs technically.

制备金属玻璃（MG）所需的高冷却速率使得玻璃形成的非平衡性更加突出，并且需要比以往更好的淬火技术。本文对冷却过程进行了解析，揭示了冷却速度的决定因素，并计算了考虑相图的结晶时间。通过降低玻璃化转变温度Trg来测量玻璃化形成能力（GFA），提出了更合理的ΔTrg。从相变热力学的角度讨论了玻璃化转变，特别是基态为玻璃的玻璃化转变。提出了一个关于封闭系统中熵变化率的基本定律，作为玻璃形成物理学的基础。这些结果可能有助于从根本上了解玻璃的形成，并在技术上开发新的、坚固的mggs。

引用次数: 0

Transmittance enhancement of amorphous SiO2 via ultraviolet irradiation to eliminate atomic defects 通过紫外线辐照消除原子缺陷，提高无定形二氧化硅的透射率

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

Journal of Non-crystalline Solids

Pub Date : 2024-11-27 DOI: 10.1016/j.jnoncrysol.2024.123328

Yongnian Qi, Xiaoguang Guo, Zhuang Song, Wanxue Zhang, Xing Gao, Ping Zhou

Optical absorption defects seriously degrade the performance of amorphous-SiO₂. Laser/UV conditioning (LC/UC) emerge as promising methods for defects elimination, yet its mechanism is still debated due to insufficient defect characterization methods. In this study, the experiments and machine learning potential were used to characterize the defects in Raman, phonon/vibrational density of states, and XRD spectra, the UC mechanism was implied. The UC transforms the atomic defects into medium-range order structure (

n

-fold rings) to reduce the absorption, the mobile oxygen O

^{0}

reduces the energy barrier in the reaction and shorter wavelength of UC is suggested. Experimental results validated that the absorption coefficient below 300 nm after 254 nm UC decreases 62% higher than that after 365 nm UC.

光学吸收缺陷会严重降低非晶二氧化硅的性能。激光/紫外调节（LC/UC）是一种很有前景的消除缺陷的方法，但由于缺陷表征方法不足，其机理仍存在争议。本研究利用拉曼光谱、声子/振动态密度和 XRD 光谱等实验和机器学习潜能来表征缺陷，并隐含了 UC 机制。UC 将原子缺陷转化为中程阶结构（n-折环）以降低吸收，移动氧 O0 降低了反应中的能量势垒，并提出了更短波长的 UC。实验结果验证了 254 nm UC 后 300 nm 以下的吸收系数比 365 nm UC 后降低了 62%。

引用次数: 0

Study of the magnetic and magnetocaloric properties of amorphous alloys formed by the ErxFe100−x series 由 ErxFe100-x 系列形成的非晶合金的磁性和磁致性研究

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

Journal of Non-crystalline Solids

Pub Date : 2024-11-27 DOI: 10.1016/j.jnoncrysol.2024.123336

V.L.O. Freitas, P.P. Almeida Neto, S.S. Costa, B.P. Alho, P.O. Ribeiro, V.S.R. de Sousa, P.J. von Ranke, E.P. Nóbrega

In this work, we investigate the magnetic and thermodynamic properties and the magnetocaloric effect of amorphous alloys formed from the series

{Er}_{x} {Fe}_{100 - x}

. To calculate the quantities on which the study is based, we use a Hamiltonian of interacting spins with two magnetic sublattices treated by the HPZ model, a modified Heisenberg Hamiltonian, in which each ionic spin is subject to a local anisotropy field of random orientation. The amorphous alloys studied present ferrimagnetic phase transitions, explained by the magnetic matrix composed of Er and Fe atoms. As a consequence, depending on the Fe doping, compensation temperatures, and inverse magnetocaloric effects are observed. Considerable values of refrigerant capacity in units of J kg

^{- 1}

under the variation of 5

T

of the applied magnetic field were found: 364, 380, 349, 291, and 237 for

x = 8.5, 10, 16.5, 21.5

and 28, respectively.

在这项工作中，我们研究了由 ErxFe100-x 系列形成的非晶合金的磁性和热力学性质以及磁致效应。为了计算作为研究基础的量，我们使用了一个具有两个磁性子晶格的相互作用自旋的哈密顿，该自旋由 HPZ 模型（一种改进的海森堡哈密顿）处理，其中每个离子自旋都受到一个随机取向的局部各向异性场的影响。所研究的非晶合金呈现出铁磁性相变，其原因在于由 Er 原子和 Fe 原子组成的磁性基体。因此，根据铁的掺杂情况，可以观察到补偿温度和反磁性效应。在 5 T 的外加磁场变化下，以 J kg-1 为单位的制冷剂容量值相当可观：x=8.5、10、16.5、21.5 和 28 时分别为 364、380、349、291 和 237。

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引用次数: 0

Numerical simulation of temperature in forming surroundings for E-Glass fiber 电子玻璃纤维成型环境温度的数值模拟

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

Journal of Non-crystalline Solids

Pub Date : 2024-11-27 DOI: 10.1016/j.jnoncrysol.2024.123339

Zushan Zhang , Xiangchun Ning , Shaobo Wang , Lipeng Tian , Tianyong Zheng

In spinning, the temperature of the glass melt and the forming surroundings play a crucial role in determining the diameter of the electrical glass (E-glass) filament. It is essential to control or predict the temperature of the forming surroundings. In this study, a simplified cooling model of the fin for G75 E-glass fiber was constructed and simulated to explore the influence of ambient temperature on the forming process of E-glass fiber. The multi-physical field coupling of solid-fluid conjugate heat transferring and surface-to-surface radiation imitates the cooling model. The temperature of the bottom of the bushing plate was measured with an infrared thermal imaging instrument, and the ambient temperature of the area of filament root forming was measured with a thermocouple. Considering the device is fixed, the key experimental variable of the numerical simulation is the distance from the top of the cooling fin to the bottom surface of the bushing plate. The simulated results are compared with the actual measurements, proving that it is feasible for the simplified cooling model to simulate the forming of E-glass fiber. The results of numerical simulations also show that (1) the temperature of the glass melt at the outlet of the nozzle is 1400 K and the ambient temperature of the filament root forming dropped by >500 K; (2) when the top of the cooling fin is 4 mm away from the bottom surface of the bushing plate, the fin has the best cooling effect on the E-glass fiber.

在纺丝过程中，玻璃熔体和成型环境的温度对决定电子玻璃（E-glass）灯丝的直径起着至关重要的作用。控制或预测成型环境的温度至关重要。本研究构建并模拟了 G75 电子玻璃纤维翅片的简化冷却模型，以探讨环境温度对电子玻璃纤维成型过程的影响。固-流体共轭传热和面-面辐射的多物理场耦合模拟了冷却模型。使用红外热成像仪测量了衬套板底部的温度，并使用热电偶测量了丝根成形区域的环境温度。考虑到装置是固定的，数值模拟的关键实验变量是冷却翅片顶部到衬套板底面的距离。模拟结果与实际测量结果进行了比较，证明简化冷却模型模拟 E 玻璃纤维成型是可行的。数值模拟结果还表明：(1) 喷嘴出口处的玻璃熔体温度为 1400 K，而丝根成形时的环境温度下降了 >500 K；(2) 当冷却鳍顶部距离衬套板底面 4 mm 时，冷却鳍对 E 玻璃纤维的冷却效果最好。

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引用次数: 0

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