Journal of Non-crystalline Solids最新文献

英文中文

Selective doping of Ga20Ge20Se60 glass-ceramic matrix with lanthanum(III) selenide to increase its optical transparency in the 2–10 μm spectral range 在 Ga20Ge20Se60 玻璃陶瓷基体中选择性掺入硒化镧(III)，以提高其在 2-10 μm 光谱范围内的光学透明度

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

Journal of Non-crystalline Solids

Pub Date : 2024-10-28 DOI: 10.1016/j.jnoncrysol.2024.123270

To reduce optical losses due to scattering of radiation by crystals in Ga₂₀Ge₂₀Se₆₀ glass-ceramics, selective doping of the glass matrix with lanthanum(III) selenide is proposed. Samples of the (100-x)Ga₂₀Ge₂₀Se₆₀-xLa₄₀Se₆₀ (x = 0, 0.25, 0.625, 1.25, 2.5, 3.75, 5) glass- ceramics, which contain 40–57 vol.% of 3.0–4.6 μm sized sphalerite-type crystalline phases based on solid solutions of germanium(II, IV) selenides and gallium(III) selenide, are prepared. According to energy-dispersive spectroscopy data, lanthanum is concentrated in the glass matrix of glass-ceramics, and the distribution coefficient is 3.4 ± 0.6. An increase in the concentration of La in (100-x)Ga₁₀Ge₃₀Se₆₀–xLa₄₀Se₆₀ (x = 0, 1.25, 2.5) glasses leads to the rise of their refractive index by 0.023±0.008, when replacing 0.25Ga + 0.75Ge → 1La. For the first time, 97.5Ga₂₀Ge₂₀Se₆₀–2.5La₄₀Se₆₀ selenide glass-ceramics with a high volume content of micron-sized crystals and transparency of more than 50% in the 2–16 μm region are produced.

为了减少 Ga20Ge20Se60 玻璃陶瓷中晶体散射辐射造成的光学损耗，提出了在玻璃基体中选择性掺入硒化镧(III)的方法。制备了 (100-x)Ga20Ge20Se60-xLa40Se60 (x = 0, 0.25, 0.625, 1.25, 2.5, 3.75, 5) 玻璃陶瓷样品，其中含有 40-57 体积%的 3.0-4.6 μm 大小的闪锌矿型结晶相，这些结晶相基于硒化锗（II、IV）和硒化镓（III）的固溶体。根据能量色散光谱数据，镧主要集中在玻璃陶瓷的玻璃基体中，分布系数为 3.4 ± 0.6。在（100-x）Ga10Ge30Se60-xLa40Se60（x = 0、1.25、2.5）玻璃中增加镧的浓度会导致折射率上升 0.023±0.008，当 0.25Ga + 0.75Ge → 1La 取代时。这是首次制备出微米级晶体含量高、在 2-16 μm 区域透明度超过 50%的 97.5Ga20Ge20Se60-2.5La40Se60 硒化物玻璃陶瓷。

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引用次数: 0

Welding of glass and single crystal graphite film using a high repetition fs laser 使用高重复fs激光焊接玻璃和单晶石墨膜

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

Journal of Non-crystalline Solids

Pub Date : 2024-10-28 DOI: 10.1016/j.jnoncrysol.2024.123268

In this paper, we successfully welded an ordinary glass and a single crystal graphite film without visible cracks by employing a high repetition femtosecond laser. The tensile strength of two welding samples exceeds those of the original films. Based on the SEM-EDS data and the Raman spectra data, two types of plasma welding regions can be clearly discriminated. The welding mechanism can be attributed to the mixture of graphite plasma and glass plasma and their resolidification. The energy density of single pulse at the interface is the most dominant factor because of this welding mechanism. From the Raman spectra data of the rear surface of the

20 μ m

sample, how the shock wave influences the configurations of the C–C bonds in the graphite film can also be studied. Those results are helpful in understanding the dynamics of femtosecond laser welding and quickly optimizing laser parameters.

在本文中，我们利用高重复飞秒激光成功焊接了普通玻璃和单晶石墨薄膜，且无可见裂缝。两个焊接样品的拉伸强度超过了原始薄膜。根据 SEM-EDS 数据和拉曼光谱数据，可以清晰地分辨出两种类型的等离子体焊接区域。焊接机制可归因于石墨等离子体和玻璃等离子体的混合及其分解。由于这种焊接机制，界面上单脉冲的能量密度是最主要的因素。从 20 微米样品后表面的拉曼光谱数据中，还可以研究冲击波如何影响石墨膜中 C-C 键的构型。这些结果有助于理解飞秒激光焊接的动力学，并快速优化激光参数。

引用次数: 0

Size effect and its atomistic origin on the mechanical properties of open-cell nanoporous amorphous alloy 开孔纳米非晶合金力学性能的尺寸效应及其原子起源

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

Journal of Non-crystalline Solids

Pub Date : 2024-10-26 DOI: 10.1016/j.jnoncrysol.2024.123275

Nanoporous amorphous alloys exhibit outstanding mechanical properties, including enhanced ductility, high strength-to-density ratio, and exceptional toughness. In this paper, atomistic models of nanoporous CuZr amorphous alloys (NP–CuZr AAs) with self-similar microstructures but varying ligament sizes are constructed. Molecular dynamics simulations are employed to examine the effects of ligament size on their mechanical properties. The yield strength, yield strain, and Young's modulus are found to be higher under tension than under compression. This tension-compression asymmetry stems from the surface effect, and it becomes more pronounced with decreasing ligament size. As the ligament size increases, the Young's modulus and compressive yield strength increase, while the tensile yield strength and ultimate tensile strength decrease. The tensile behavior comprises linear elastic deformation, strain-hardening, and ligament decay stages. During the ligament decay deformation stage, ligament necking and fracture are more severe with larger ligament sizes, resulting in relatively lower resistance stress.

纳米多孔非晶合金具有出色的机械性能，包括增强的延展性、高强度密度比和优异的韧性。本文构建了具有自相似微结构但韧带尺寸不同的纳米多孔铜锌非晶合金（NP-CuZr AAs）的原子模型。利用分子动力学模拟研究了韧带尺寸对其力学性能的影响。结果发现，拉伸时的屈服强度、屈服应变和杨氏模量均高于压缩时的屈服强度、屈服应变和杨氏模量。这种拉伸与压缩的不对称源于表面效应，随着韧带尺寸的减小，这种不对称变得更加明显。随着韧带尺寸的增大，杨氏模量和压缩屈服强度增加，而拉伸屈服强度和极限拉伸强度降低。拉伸行为包括线性弹性变形、应变硬化和韧带衰减阶段。在韧带衰减变形阶段，韧带尺寸越大，韧带缩颈和断裂越严重，导致抗应力相对较低。

引用次数: 0

The influence of B2O3 on structure and ionic conductivity of lithium phosphate-niobate glasses B2O3 对磷酸铌酸锂玻璃的结构和离子导电性的影响

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

Journal of Non-crystalline Solids

Pub Date : 2024-10-24 DOI: 10.1016/j.jnoncrysol.2024.123258

Glasses in the series (100-x)[0.4Li₂O-0.2Nb₂O₅-0.4P₂O₅]-xB₂O₃ were prepared with B₂O₃ content ranging from 0 to 48 mol%. The glass transition temperature (T_g) increases with up to 8 mol% B₂O₃, peaking at 512 °C, then decreases to 490 °C at 40 mol% B₂O₃. Raman spectra at low B₂O₃ content indicate the presence of NbO₆ octahedra. XRD patterns of crystallized samples reveal NbOPO₄ formation across the entire composition range. Confrontation of the Raman spectra of glasses and crystalized glasses resulted in the assignment of the broad Raman band at 777–804 cm⁻¹ to Nb−O−Nb vibrations in the NbO₆ octahedra. ¹¹B MAS NMR shows a transition from BO₄ to BO₃ units, while ³¹P MAS NMR suggests mixed borate-phosphate structures. Using 2D NMR techniques, mixed species were identified in the glass network. Ionic conductivity remained stable up to 16 mol% B₂O₃ but decreased significantly at higher concentrations due to reduced Li⁺ ion mobility in the mixed phosphate-borate network.

制备了 (100-x)[0.4Li2O-0.2Nb2O5-0.4P2O5]-xB2O3 系列玻璃，其中 B2O3 的含量范围为 0 至 48 摩尔%。玻璃化转变温度（Tg）随着 B2O3 含量的增加而升高，最高可达 512 ℃，然后在 B2O3 含量为 40 mol% 时降至 490 ℃。B2O3 含量低时的拉曼光谱表明存在 NbO6 八面体。结晶样品的 XRD 图显示，在整个成分范围内都形成了 NbOPO4。通过对比玻璃和结晶玻璃的拉曼光谱，可将 777-804 cm-1 处的宽拉曼带归因于 NbO6 八面体中的 Nb-O-Nb 振动。11B MAS NMR 显示了从 BO4 单元到 BO3 单元的转变，而 31P MAS NMR 则表明了硼酸盐-磷酸盐混合结构。利用二维核磁共振技术，在玻璃网络中确定了混合物种。离子电导率在 B2O3 浓度达到 16 摩尔%时保持稳定，但浓度越高，离子电导率越低，原因是混合磷酸盐-硼酸盐网络中的 Li+ 离子迁移率降低。

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引用次数: 0

Study on the mechanism of crystal-induced plasticity enhancement in Ni-Zr crystal/amorphous composites by molecular dynamics simulation 通过分子动力学模拟研究镍锌晶体/非晶态复合材料中晶体诱导塑性增强的机理

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

Journal of Non-crystalline Solids

Pub Date : 2024-10-24 DOI: 10.1016/j.jnoncrysol.2024.123271

The industrial applications of metallic glass (MGs) are limited by poor plasticity, which crystal/amorphous composites (CACs) can effectively address. This study simulates the compression of Ni-Zr MGs with embedded fcc crystal phases by molecular dynamics to elucidate the mechanism of crystal-induced plasticity enhancement. The plasticity of CACs improves with larger crystal sizes. Atoms at the crystal-amorphous interfaces (CAIs) are classified as CAIfcc and CAIMGs for fcc and MGs, respectively. The transformation of CAIfcc to CAIMGs at the CAIs is crucial for plastic flow during compression. The connection between CAIfcc and CAIMGs clusters is less stable than that of fcc, making it more prone to damage and leading to multiple shear bands (SBs). These SBs offer additional pathways for plastic flow, reducing stress concentration and enhancing material plasticity. This research provides an atomic-level understanding of crystal-induced plasticity in CACs, offering valuable insights for designing high-performance CACs.

金属玻璃（MGs）的工业应用受到可塑性差的限制，而晶体/非晶态复合材料（CACs）可有效解决这一问题。本研究通过分子动力学模拟了嵌入 fcc 晶相的镍锆金属玻璃的压缩过程，以阐明晶体诱导塑性增强的机理。晶体尺寸越大，CAC 的塑性越好。晶体-非晶界面（CAIs）上的原子被分别归类为 fcc 和 MGs 的 CAIfcc 和 CAIMGs。CAIs 上的 CAIfcc 向 CAIMGs 的转变对于压缩过程中的塑性流动至关重要。CAIfcc 和 CAIMGs 簇之间的连接不如 fcc 稳定，因此更容易受到破坏，并导致多条剪切带 (SB)。这些 SB 为塑性流动提供了额外的途径，减少了应力集中，增强了材料的塑性。这项研究从原子层面理解了晶体诱导的 CAC 塑性，为设计高性能 CAC 提供了宝贵的见解。

引用次数: 0

Pressure-induced structural variations and mechanical behavior of silicate glasses: Role of aluminum and sodium 硅酸盐玻璃的压力诱导结构变化和机械行为：铝和钠的作用

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

Journal of Non-crystalline Solids

Pub Date : 2024-10-22 DOI: 10.1016/j.jnoncrysol.2024.123267

This study investigates the effects of pressure-induced densification on the structural and mechanical properties of albite-like (12.5 % Na₂O·12.5 % Al₂O₃·75 % SiO₂) and sodium silicate (12.5 % Na₂O·87.5 % SiO₂) glasses using Molecular Dynamics simulations. Densification increased the coordination numbers of Al and Na, facilitated Al-O-Al clustering and formation of three-bridging oxygens, reduced T-O-T angles, and packed sodium ions in albite glass. Sodium silicate glass exhibited densification primarily through increased Na coordination, reduction of Si-O-Si angle and reduced Na-Na distances. Elastic modulus calculations revealed increased stiffness with densification due to enhanced atomic packing and glass reticulation. Uniaxial tensile tests showed densified glasses had higher ductility and strength than undensified counterparts, highlighting the positive effects of pressure-induced structural rearrangements. Hydrostatic compression tests demonstrated reversible densification under varying pressure loads, with pre-treatment conditions significantly affecting residual densification.

本研究利用分子动力学模拟研究了压力诱导致密化对白云石类（12.5 % Na2O-12.5 % Al2O3-75 % SiO2）和硅酸钠类（12.5 % Na2O-87.5 % SiO2）玻璃的结构和机械性能的影响。在白云石玻璃中，致密化增加了 Al 和 Na 的配位数，促进了 Al-O-Al 团聚和三桥氧原子的形成，减小了 T-O-T 角，并填充了钠离子。硅酸钠玻璃主要通过增加 Na 的配位、减小 Si-O-Si 角和缩短 Na-Na 间距来实现致密化。弹性模量计算显示，由于原子堆积和玻璃网状结构增强，致密化导致硬度增加。单轴拉伸测试表明，致密化玻璃的延展性和强度高于未致密化的玻璃，凸显了压力引起的结构重排的积极影响。静水压试验表明，在不同的压力负荷下，致密化是可逆的，预处理条件对残余致密化有显著影响。

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引用次数: 0

Repair effect of He+ ions in borosilicate glass by sequential irradiation 硼硅玻璃中 He+ 离子的连续辐照修复效应

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

Journal of Non-crystalline Solids

Pub Date : 2024-10-22 DOI: 10.1016/j.jnoncrysol.2024.123252

The structural variations from alpha decay in borosilicate glasses attract much attention. The glass samples were irradiated with single and sequential beams in Xe²⁰⁺ and He⁺ ions. Sequential irradiation means the glasses, which were pre-irradiated with Xe²⁰⁺ ions, were irradiated with He⁺ions. The variations in macroscopic properties and microstructure were analyzed by nanoindentation, Raman spectra, infrared spectra and XPS spectra, respectively. After He⁺ ion irradiation, the hardness of glasses decreases, and the BO₄ units increase in the glasses, attributed to the migration of Na on the sample surface. The hardness recovery was observed in sequential irradiation. Combined with the results of single ion irradiation, a reason for hardness recovery is that the migration of Na in deep layer causes the BO₃ structure to transform into BO₄ structure after He⁺ions irradiation. The variation of boron structures in sequential irradiation could be considered as the superposition of two single irradiation effects.

硼硅玻璃中α衰变产生的结构变化备受关注。对玻璃样品进行了 Xe20+ 和 He+ 离子的单束和顺序辐照。顺序辐照是指预先用 Xe20+ 离子辐照的玻璃再用 He+ 离子辐照。分别通过纳米压痕、拉曼光谱、红外光谱和 XPS 光谱分析了宏观性能和微观结构的变化。经 He+ 离子辐照后，玻璃的硬度降低，玻璃中的 BO4 单位增加，这归因于 Na 在样品表面的迁移。在连续辐照中观察到了硬度的恢复。结合单离子辐照的结果，硬度恢复的一个原因是在 He+ 离子辐照后，Na 在深层的迁移使 BO3 结构转变为 BO4 结构。连续辐照中硼结构的变化可视为两种单一辐照效应的叠加。

引用次数: 0

Mathematical modeling of bioactive glass degradation 生物活性玻璃降解的数学建模

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

Journal of Non-crystalline Solids

Pub Date : 2024-10-19 DOI: 10.1016/j.jnoncrysol.2024.123265

Bioactive glasses (BGs) are promising for bone tissue engineering (BTE). Mathematical modeling is a powerful tool for understanding BTE scaffold degradation. We developed mathematical functions based on chemical reaction equations governing dissolution and diffusion processes to model the degradation of 45S5 BGs. An empirical mathematical model was employed to characterize the formation process of hydroxycarbonate apatite (HCA). Two sets of numerical simulations with BG powder and bulk samples immersed in simulated body fluid were compared with in vitro experiments to validate and parameterize the model. The model could accurately predict BG degradation and HCA formation. Our findings indicate that the proposed parameters K₁=2600 mm/(μmol·h), K₂=2.0 mm/h and K₃=0.001 mm/h are suitable for simulating the degradation of silicate-based BGs, specifically 45S5 BG. The proposed model successfully predicted the degradation behavior and subsequent HCA formation over 21 days. The proposed mathematical model serves as a valuable tool for designing degradable BG-containing scaffolds.

生物活性玻璃（BGs）在骨组织工程（BTE）中大有可为。数学建模是了解 BTE 支架降解的有力工具。我们根据管理溶解和扩散过程的化学反应方程开发了数学函数，以模拟 45S5 生物活性玻璃的降解过程。我们采用了一个经验数学模型来描述羟基碳酸盐磷灰石（HCA）的形成过程。将两组浸入模拟体液中的 BG 粉末和块状样品的数值模拟与体外实验进行了比较，以验证该模型并确定其参数。该模型可准确预测 BG 降解和 HCA 的形成。我们的研究结果表明，所提出的参数 K1=2600 mm/（μmol-h）、K2=2.0 mm/h 和 K3=0.001 mm/h 适用于模拟硅酸盐基 BG（特别是 45S5 BG）的降解。所提出的模型成功地预测了 21 天内的降解行为和随后 HCA 的形成。所提出的数学模型是设计可降解含 BG 支架的重要工具。

引用次数: 0

Tribological behaviors of Zr-based bulk metallic glass against Si3N4 ceramic under linear reciprocating sliding Zr 基块状金属玻璃与 Si3N4 陶瓷在线性往复滑动下的摩擦学行为

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

Journal of Non-crystalline Solids

Pub Date : 2024-10-18 DOI: 10.1016/j.jnoncrysol.2024.123266

Tribological properties of bulk metallic glasses (BMGs) deeply affect their performances in potential applications, however, the main wear mechanisms remain partially understood, for the vastly varying contact conditions in friction. This work systematically reports tribological behaviors of Zr_60.14Cu_22.31Al_9.7Fe_4.85Ag₃ BMG against Si₃N₄ ceramic during linear reciprocating sliding at different normal load (1–12 N) and reciprocating frequency (1–12 Hz). The time-dependent coefficient of friction (COF) indicates a prominent “running-in” stage during wear tests, which lengthens upon increased normal load while reduces at increased reciprocating frequency. Observation on worn surfaces indicates that the wear mechanism during “running-in” is mainly adhesive wear while in the stable stage is oxidative wear and adhesive wear. Intriguingly, high wear rate generally relates to adhesive wear and low wear rate relates to oxidative wear, while high COF relates to oxidative wear and low COF relates to adhesive wear. These results would help to understand the friction and wear of BMGs.

块状金属玻璃（BMG）的摩擦学特性深深地影响着它们在潜在应用中的性能，然而，由于摩擦中的接触条件千差万别，人们对其主要磨损机制的了解还很有限。这项研究系统地报告了 Zr60.14Cu22.31Al9.7Fe4.85Ag3 块状金属玻璃在不同的法向载荷（1-12 N）和往复频率（1-12 Hz）下与 Si3N4 陶瓷进行线性往复滑动时的摩擦学行为。与时间相关的摩擦系数（COF）表明，在磨损试验中存在一个明显的 "磨合 "阶段，在增加法向载荷时，磨合期延长，而在增加往复频率时，磨合期缩短。对磨损表面的观察表明，"磨合 "阶段的磨损机理主要是粘着磨损，而在稳定阶段则是氧化磨损和粘着磨损。有趣的是，高磨损率一般与粘着磨损有关，低磨损率与氧化磨损有关，而高 COF 与氧化磨损有关，低 COF 与粘着磨损有关。这些结果将有助于了解 BMG 的摩擦和磨损。

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A new perspective on the glass transition, tack and rheology of oligomeric epoxy resins 低聚环氧树脂玻璃化转变、粘性和流变学的新视角

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

Journal of Non-crystalline Solids

Pub Date : 2024-10-17 DOI: 10.1016/j.jnoncrysol.2024.123261

Bis-phenol A based oligomeric epoxy resins with known molecular characteristics were selected as model liquids for the study of glass transition processes, rheological properties and tack. The effect of cooling and heating rates on the glass transition dynamics of epoxy resins has been studied. Rheology and differential scanning calorimetry methods were used to determine the fragility indices of oligomeric epoxy resins. The tack of oligomers was determined as a function of the reduced temperature T/Tg, and it is shown that the tack parameters for all studied oligomers correlate well with their fragility indices.

Rheological measurements of epoxy oligomers were performed in the oscillation mode in a wide frequency range. Applying the principle of time-temperature superposition, generalized dependencies of the storage and loss modulus on the weight average molecular weight and molecular-mass distribution was determined. The parameters of generalized frequency dependences of the complex modulus components and the molecular weight characteristics of oligomers were correlated.

研究人员选择了已知分子特性的双酚 A 型低聚环氧树脂作为模型液体，用于研究玻璃化转变过程、流变特性和粘性。研究了冷却和加热速率对环氧树脂玻璃化转变动力学的影响。流变学和差示扫描量热法用于确定低聚环氧树脂的脆性指数。研究结果表明，所有研究的低聚物的粘性参数都与其脆性指数密切相关。应用时间-温度叠加原理，确定了储存模量和损失模量与重量平均分子量和分子质量分布的一般相关性。复合模量分量的广义频率相关参数与低聚物的分子量特征相关。

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