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Intraparticle quantum resources in (textrm{MoS}_2): a spin–valley perspective under thermal noise (textrm{MoS}_2)中的粒子内量子资源:热噪声下的自旋谷视角
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-03 DOI: 10.1007/s00339-025-09184-5
Zakaria Bouafia, Mostafa Mansour, Ameenah N. Al-Ahmadi, Abdel-Haleem Abdel-Aty

We explore intraparticle quantum resources within a monolayer (textrm{MoS}_2) system subjected to thermal noise. Using a low-energy spin–valley effective Hamiltonian, we give the associated Gibbs density matrix and investigate the dynamics of concurrence ((mathcal {C})), local quantum uncertainty ((mathcal {L}_q)), relative entropy of coherence ((mathcal {C}_r)), and linear entropy ((mathcal {L}_e)) as functions of temperature and the two-qubit system’s parameters. Our findings reveal that entanglement vanishes at all system regimes. In contrast, quantum correlations and coherence exhibit a slightly more robust persistence under thermal noise. For high momentum components ((k_x), (k_y)) or weaker spin-orbit interaction (SOC, (lambda _s)), (mathcal {C}_r) attains relevant values at lower temperatures before decreasing as T increases. We note that, although a strong SOC suppresses coherence, it extends the temperature interval over which LQU remains slightly significant, and it is also observed to decelerate the increase in (mathcal {L}_e). These findings show that adjusting system parameters enhances thermal quantum resources in the spin-valley state of (textrm{MoS}_2) and mitigates thermal mixing.

我们探索了受热噪声影响的单层(textrm{MoS}_2)系统中的粒子内量子资源。利用低能自旋谷有效哈密顿量,我们给出了相关的吉布斯密度矩阵,并研究了并发性((mathcal {C}))、局部量子不确定性((mathcal {L}_q))、相干相对熵((mathcal {C}_r))和线性熵((mathcal {L}_e))作为温度和双量子位系统参数的函数。我们的研究结果表明,纠缠在所有系统体制中都消失了。相比之下,量子相关和相干在热噪声下表现出稍强的持久性。对于高动量分量((k_x), (k_y))或较弱的自旋轨道相互作用(SOC, (lambda _s)), (mathcal {C}_r)在较低温度下达到相应值,然后随着T的增加而减小。我们注意到,虽然强SOC抑制了相干性,但它延长了LQU保持略微显著的温度区间,并且还观察到它可以减缓(mathcal {L}_e)的增加。这些结果表明,调整系统参数可以增强(textrm{MoS}_2)自旋谷态的热量子资源,减轻热混合。
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引用次数: 0
Graphene absorption enhancement with ultrabroad bandwidth and complete modulation near 1550 nm communication wavelength 石墨烯吸收增强与超宽带宽和完全调制近1550nm通信波长
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-03 DOI: 10.1007/s00339-025-09187-2
Chaojun Tang, Hongyi Cao, Qingmiao Nie, Fan Gao, Juan Deng, Yijun Tang, Bo Yan, Fanxin Liu, Zhendong Yan, Ping Gu

We numerically investigate the near-infrared light absorption enhancement of a graphene monolayer, demonstrating ultra-broad bandwidth and nearly 100% electric modulation depth. This broadband absorption arises from multiple closely spaced magnetic resonance modes, which are generated by the plasmonic hybridization of silver (Ag) nanostrips and an Ag substrate. The absorption of graphene exhibits a sharp transition from its maximum value to nearly zero within a narrow Fermi energy range, enabling the exceptional modulation depth and the electric switching effect. The broadband absorption with high electric tunability can significantly enhance the performance of graphene-based optoelectronic devices, such as broadband photodetectors and high-speed modulators in optical fiber telecommunication system.

我们数值研究了石墨烯单层的近红外光吸收增强,展示了超宽带和接近100%的电调制深度。这种宽带吸收是由银(Ag)纳米带和银衬底的等离子体杂化产生的多个紧密间隔的磁共振模式引起的。在狭窄的费米能量范围内,石墨烯的吸收表现出从最大值到接近零的急剧转变,从而实现了特殊的调制深度和电开关效应。具有高电可调性的宽带吸收可以显著提高石墨烯基光电子器件的性能,如光纤通信系统中的宽带光电探测器和高速调制器。
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引用次数: 0
Influence of carbon quantum dots on enhanced capacitive behavior of Cu-doped zinc oxide nanoparticles as electrode in ultracapacitor 碳量子点对铜掺杂氧化锌纳米粒子作为超级电容器电极增强电容行为的影响
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-02 DOI: 10.1007/s00339-025-09180-9
L. Bruno Chandrasekar, V. Sumathi, D. Ramya, A. Jahir Husain, S. A. Yuvaraj, N. Shankar, M. Karunakaran, P. Shunmuga Sundaram, Sonaimuthu Mohandoss, J. Thirumalai

This research reported the synthesis of copper-doped zinc oxide/ carbon quantum dots (Cu-doped ZnO/CQD) nanoparticles. The chemical precipitation method was employed to prepare the nanoparticles. The role of CQD on the structural, optical, and luminescent properties of the Cu-doped ZnO is investigated. The crystallite size, strain, lattice constants and bond length are examined. The incorporation of CQD enhances the refractive index of the prepared material and reduces the optical band gap of Cu-doped ZnO. The electrochemical investigations are carried out in a three-electrode system. Impressively, the capacitive contribution increases up to 88% for Cu-doped ZnO/CQD, which was higher than the capacitive contribution of Cu-doped ZnO-based electrode. The specific capacitance of 241.6 F/g at a scan rate of 5 mV/s and 180.4 F/g at a current density of 0.5 A/g were observed. The results highlight the effective synthesis of the Cu-doped ZnO/CQD nanoparticles and their excellent electrochemical properties as a promising electrode candidate for ultracapacitor applications.

本研究报道了铜掺杂氧化锌/碳量子点(cu掺杂ZnO/CQD)纳米粒子的合成。采用化学沉淀法制备纳米颗粒。研究了CQD对cu掺杂ZnO结构、光学和发光性能的影响。测试了晶体尺寸、应变、晶格常数和键长。CQD的加入提高了材料的折射率,减小了cu掺杂ZnO的光学带隙。电化学研究是在三电极系统中进行的。令人印象深刻的是,cu掺杂ZnO/CQD的电容贡献增加到88%,高于cu掺杂ZnO基电极的电容贡献。扫描速率为5 mV/s时的比电容为241.6 F/g,电流密度为0.5 a /g时的比电容为180.4 F/g。结果表明,cu掺杂ZnO/CQD纳米颗粒的有效合成及其优异的电化学性能是一种有前景的超级电容器电极候选材料。
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引用次数: 0
Synergistic effects of tin (Sn) and iron (Fe) co-doping on the structural, optical and electrical properties of cupric oxide (CuO) thin films 锡(Sn)和铁(Fe)共掺杂对氧化铜(CuO)薄膜结构、光学和电学性能的协同效应
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-02 DOI: 10.1007/s00339-025-09159-6
Sukarna Banik, Muhammad Shahriar Bashar, Shahinur Akter, Md. Khalilur Rahman

Enhancing the structural, optical and electrical properties of CuO thin films is crucial for their effective integration into modern optoelectronic devices. In this study, tin (Sn) and iron (Fe) co-doped CuO thin films were fabricated on ultrasonically cleaned glass substrates using the sol-gel spin-coating technique, with varying dopant concentrations to optimize their properties. Post-annealing characterization revealed that all samples retained a polycrystalline monoclinic CuO structure, as confirmed by X-ray diffraction (XRD). The crystallite size increased from 19 nm to 24 nm upon (Sn, Fe) co-doping, accompanied by a decrease in dislocation density from 2.34 × 10− 3 nm− 2 to 1.80 × 10− 3 nm− 2, indicating improved crystallinity. Scanning Electron Microscopy (SEM) analysis showed increased surface uniformity following dopant incorporation. Optical analysis revealed that co-doping significantly decreased transmittance while enhancing visible light absorption. The (1.5 wt% Sn + 0.5 wt% Fe): CuO film maintained a high absorption coefficient (> 105 cm⁻1) and exhibited a reduced optical band gap of 1.43 eV, enhancing the light-harvesting capability. Hall effect measurements demonstrated that the film co-doped with 1.5 wt% Sn and 0.5 wt% Fe exhibited the lowest resistivity (28.5 Ω·cm), highest electrical conductivity (0.035 S/cm), and maximum carrier concentration (6.85 × 1017 cm− 3), though with a reduced carrier mobility (0.304 cm2/V·s). However, further increase in Fe concentration (≥ 1 wt%) led to structural degradation under identical annealing conditions. Overall, the optimized 1.5 wt% Sn and 0.5 wt% Fe co-doped CuO thin film exhibits superior structural integrity, optical and electrical properties, demonstrating strong potential for application in future optoelectronic and photovoltaic devices.

提高CuO薄膜的结构、光学和电学性能对其有效集成到现代光电器件中至关重要。在本研究中,采用溶胶-凝胶自旋镀膜技术在超声清洗的玻璃衬底上制备了锡(Sn)和铁(Fe)共掺杂的CuO薄膜,并通过不同的掺杂浓度来优化其性能。经x射线衍射(XRD)证实,所有样品均保留了多晶单斜CuO结构。(Sn, Fe)共掺杂后,晶体尺寸由19 nm增大到24 nm,位错密度由2.34 × 10−3 nm−2减小到1.80 × 10−3 nm−2,结晶度得到改善。扫描电镜(SEM)分析显示,掺入掺杂剂后,表面均匀性增加。光学分析表明,共掺杂显著降低了透光率,同时增强了可见光吸收。(1.5 wt% Sn + 0.5 wt% Fe): CuO薄膜保持了较高的吸收系数(> 105 cm⁻1),光学带隙减小到1.43 eV,增强了光捕获能力。霍尔效应测量表明,共掺杂1.5 wt% Sn和0.5 wt% Fe的薄膜电阻率最低(28.5 Ω·cm),电导率最高(0.035 S/cm),载流子浓度最高(6.85 × 1017 cm−3),载流子迁移率降低(0.304 cm2/V·S)。然而,在相同的退火条件下,进一步增加铁浓度(≥1wt %)会导致结构降解。总体而言,优化后的1.5 wt% Sn和0.5 wt% Fe共掺杂的CuO薄膜具有优异的结构完整性、光学和电学性能,在未来光电和光伏器件中具有很强的应用潜力。
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引用次数: 0
Subluminal to superluminal propagation of light pulses in combined tripod and (Lambda)-type atomic system 组合三脚架和(Lambda)型原子系统中光脉冲的亚光速到超光速传播
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-02 DOI: 10.1007/s00339-025-09171-w
Najm Uddin, Reem Altuijri, Mohamed R. Eid, Abdel-Haleem Abdel-Aty, Ashfaq Uddin

This work investigates the subluminal and superluminal propagation of light pulses in a Combined Tripod and (varvec{Lambda })-Type (CTL) atomic medium. By analysing key parameters including normal and anomalous dispersion, group index (({varvec{n}}_{varvec{g}})), and time delay (({varvec{t}}_{varvec{d}})), we demonstrate tunable light propagation ranging from ultra-slow (({textbf {600}}~text {m/s}), (varvec{2}varvec{times } varvec{10}^{varvec{-6}}{varvec{c}})) to apparent backward superluminal ((varvec{-1000}~text {m/s}), (varvec{-3.33} varvec{times } {textbf {10}}^{varvec{-6}}{varvec{c}})) regimes. The group index tunability (({varvec{n}}_{varvec{g}} = {textbf {5}}varvec{times } {textbf {10}}^{varvec{5}}) to (varvec{-3}varvec{times } {textbf {10}}^{varvec{5}})) and corresponding time delays directly characterise the propagation dynamics, where positive ({varvec{t}}_{varvec{d}}) indicates slow light and negative ({varvec{t}}_{varvec{d}}) corresponds to fast light propagation. Such control is achieved through precise manipulation of the probe field detuning ((varvec{Delta }_{p})) in five-level, N-type, and (varvec{Lambda })-type configurations. The five-level CTL system exhibits a significantly broader tunability range—at least one order of magnitude greater than that reported in related studies (e.g., Hamedi et al, J. Phys. B: At. Mol. Opt. Phys. 50(18), 185401 2017), where they studied the subluminal propagation of light pulses, while the N-type system demonstrates both positive and negative group indices. The (varvec{Lambda })-type system, in contrast, realises ultra-slow propagation (({textbf {600}}~text {m/s})) at specific detunings. These results underline the potential of coherent atomic media for quantum optics applications, including optical buffers, quantum memory, and all-optical signal processing. The demonstrated wide-range control of light propagation speeds opens new possibilities in quantum information technologies.

本文研究了光脉冲在三脚架和(varvec{Lambda })型(CTL)原子介质中的亚光速和超光速传播。通过分析关键参数,包括正常和异常色散,群指数(({varvec{n}}_{varvec{g}}))和时间延迟(({varvec{t}}_{varvec{d}})),我们证明了可调谐的光传播范围从超慢(({textbf {600}}~text {m/s}), (varvec{2}varvec{times } varvec{10}^{varvec{-6}}{varvec{c}}))到视向后超光速((varvec{-1000}~text {m/s}), (varvec{-3.33} varvec{times } {textbf {10}}^{varvec{-6}}{varvec{c}}))。群指数的可调性(({varvec{n}}_{varvec{g}} = {textbf {5}}varvec{times } {textbf {10}}^{varvec{5}})到(varvec{-3}varvec{times } {textbf {10}}^{varvec{5}}))和相应的时间延迟直接表征了传播动力学,其中正的({varvec{t}}_{varvec{d}})表示慢光,负的({varvec{t}}_{varvec{d}})对应于光的快速传播。这种控制是通过在五级、n型和(varvec{Lambda })型配置中精确操纵探针场失谐((varvec{Delta }_{p}))来实现的。五级CTL系统表现出更广泛的可调性范围,至少比相关研究(如Hamedi et al, J. Phys)报道的可调性范围大一个数量级。B:是的。Mol. Opt. Phys. 50(18), 185401 2017),在那里他们研究了光脉冲的亚光速传播,而n型系统显示出正和负基团指数。相比之下,(varvec{Lambda })型系统在特定失谐时实现了超慢传播(({textbf {600}}~text {m/s}))。这些结果强调了相干原子介质在量子光学应用中的潜力,包括光缓冲、量子存储器和全光信号处理。所展示的光传播速度的大范围控制为量子信息技术开辟了新的可能性。
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引用次数: 0
Effective of regular shapes on the isovolumetric boundary quantum confinement assessment of semiconductor nanocrystals 规则形状对半导体纳米晶体等体积边界量子约束评价的影响
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-02 DOI: 10.1007/s00339-025-09125-2
Thaer A. Mezher, Hameed H. Ahmed, Marwan R. Rashid

Using the density of state equation derived from the type of conditions in a quantum Schrödinger well, the effect of shape on quantum confinement in semiconductor materials was used to study regular shapes to determine their effectiveness in evaluating the isometric quantum confinement of semiconductor nanocrystals.This work, in particular, examines isometric nanoparticles of various shapes and raises the question of how isometric deformation of nanoparticle shapes affects their response. The effect of quantum confinement, which includes one-dimensional, two-dimensional, and three-dimensional shapes, was investigated on three distinct shapes of semiconductor nanocrystals (rectangular, spherical, and torus) by examining the density of states of these material shapes.The analysis showed that the simplified models used for each shape indicate an inverse relationship between the ground-state confinement energy and volume. Thus, as the radius increases, the confinement energy decreases, although it never approaches zero. Further calculations revealed that the increasing variation in confinement potential corresponds to a decrease in the binding energy of the nanoparticles. Among the various shapes of equal size, nanorods exhibited lower binding energies than nanotorches, while nanotorches exhibited lower binding energies than nanospheres. These results confirm that even slight modifications in the crystal structure of nanoparticles can lead to significant changes in the properties of these nanomaterials. Theoretical results show that as the size increases, the confinement energy, Coulombic energy, and energy band gap of these quantum dots decrease.The most important result of this study is that, based on the geometry of the quantum dots studied, the sphere has the highest confinement energy, the quantum tours has the largest Coulombic energy, and the cube has the highest energy band gap. This work reveals that appropriate choices of shape and size can enhance the electronic and optical properties of nanocrystals.

利用量子Schrödinger井中条件类型导出的态密度方程,利用形状对半导体材料中量子约束的影响来研究规则形状,以确定它们在评估半导体纳米晶体等距量子约束中的有效性。这项工作特别地研究了各种形状的等距纳米颗粒,并提出了纳米颗粒形状的等距变形如何影响它们的响应的问题。量子约束包括一维、二维和三维形状,通过检查这些材料形状的态密度,研究了三种不同形状的半导体纳米晶体(矩形、球形和环面)的量子约束效应。分析表明,每种形状的简化模型表明基态约束能量与体积呈反比关系。因此,随着半径的增加,约束能量减小,尽管它永远不会接近零。进一步的计算表明,约束势变化的增加对应于纳米粒子结合能的降低。在相同尺寸的不同形状中,纳米棒的结合能低于纳米火炬,而纳米火炬的结合能低于纳米球。这些结果证实,即使纳米颗粒的晶体结构发生微小的变化,也会导致这些纳米材料的性能发生重大变化。理论结果表明,随着尺寸的增大,这些量子点的约束能、库仑能和能带隙减小。本研究最重要的结果是,根据所研究的量子点的几何形状,球体具有最高的约束能量,量子游具有最大的库仑能量,立方体具有最高的能带隙。这项工作表明,适当选择形状和尺寸可以提高纳米晶体的电子和光学性能。
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引用次数: 0
Fe(_{x})Ni(_{1-x}) alloy on W(110) surface: Ab-initio studies of structures, electronic and magnetic interactions W(110)表面的Fe (_{x}) Ni (_{1-x})合金:结构,电子和磁相互作用的Ab-initio研究
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-02 DOI: 10.1007/s00339-025-09097-3
P. F. R. S. S. Nkounkou, B. R. Malonda-Boungou, J. H. J. Magnoungou, H. B. Mabiala-Poaty, A. T. Raji, Nsengiyumva Schadrack, B. M’Passi-Mabiala

We investigate the structures, electronic and magnetic properties of Fe(_{x})Ni(_{1-x}) monolayer alloys deposited on the W(110) surface (i.e., Fe(_{x})Ni(_{1-x}) /W(110)), using the density functional theory (DFT) calculations, including the effect of Hubbard correction U, i.e., DFT+U. Various combinations of ferromagnetic (FM) and ferrimagnetic (FI) orientations, including non-magnetic (NM) configurations of Fe(_{x})Ni(_{1-x}) (x varies from 0 to 1), are considered. Our calculations show that most energetically favourable configurations for the Fe-Ni alloys on the W(110) surface are when the concentration x of Ni is greater than that of Fe and where the Fe and Ni have exhibited a ferrimagnetic coupling. Also, crystal orbital Hamilton population (COHP) reveals the absence of antibonding states around the +1 eV near the Fermi energy in the case of the ground-state FI configurations and the existence of such antibonding states at the same energy level in the case of NM configurations, as the possible origin of preferred stability of the FI configuration (i.e., relative to NM). Furthermore, a comparison between the magnetization in free-standing Fe(_{x})Ni(_{1-x}) and that of Fe(_{x})Ni(_{1-x})/W(110) systems show that the W(110) substrate acts to reduce the magnetic moment of alloy atoms of Fe and Ni. This can be adduced to electron transfer between the orbitals of Fe, Ni and W atoms. Interestingly, such an electron transfer also enhances the stability of the alloys on the W(110) substrate. Our work provides deeper understanding of atomic-scale properties of Fe-Ni alloys deposited on a W(110) substrate which can be useful to understand similar epitaxial layers.

我们使用密度泛函理论(DFT)计算,包括Hubbard校正U(即DFT+U)的影响,研究了沉积在W(110)表面(即Fe (_{x}) Ni (_{1-x}) /W(110))的Fe (_{x}) Ni (_{1-x})单层合金的结构、电子和磁性能。考虑了铁磁(FM)和铁磁(FI)取向的各种组合,包括Fe (_{x}) Ni (_{1-x})的非磁性(NM)结构(x从0到1变化)。我们的计算表明,在W(110)表面上,当Ni的浓度x大于Fe的浓度,并且Fe和Ni表现出铁磁耦合时,Fe-Ni合金的能量最有利的构型是。此外,晶体轨道汉密尔顿居群(COHP)揭示了基态FI组态在费米能量附近+1 eV附近不存在反键态,而NM组态在相同能级上存在这种反键态,这可能是FI组态(即相对于NM)优先稳定性的来源。此外,比较了独立Fe (_{x}) Ni (_{1-x})和Fe (_{x}) Ni (_{1-x}) /W(110)体系的磁化强度,发现W(110)基体降低了Fe和Ni合金原子的磁矩。这可以归纳为Fe, Ni和W原子轨道之间的电子转移。有趣的是,这种电子转移也增强了合金在W(110)衬底上的稳定性。我们的工作对沉积在W(110)衬底上的Fe-Ni合金的原子尺度性质有了更深入的了解,这对理解类似的外延层是有用的。
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引用次数: 0
Structure and properties of zinc calcium phosphate glass ceramics: mixed former effect 磷酸锌钙玻璃陶瓷的结构与性能:混合前效应
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-02 DOI: 10.1007/s00339-025-08999-6
N. Elbassiony, Y. M. Moustafa, A. Elgarayhi, A. M. Abdelghany, G. El-Damrawi

Calcium phosphate, zinc phosphate, and mixed calcium zinc phosphate glass ceramics in the systems 50CaO-50P₂O₅, 50ZnO-50P₂O₅, and xZnO.(100-x)(CaO-P₂O₅), x = 0–50 mol% have been prepared via wet-hydrothermal technique, yielding polycrystalline materials as confirmed by XRD and SEM-EDX analyses. The sharp XRD patterns correspond to crystalline Ca₃(PO₄)₂, Zn₃(PO₄)₂, and Zn₂Ca(PO₃)₂ phases in their respective systems. FTIR spectroscopy enabled calculation of relative areas proportional to different phosphate species (Qⁿ) concentrations, with peaks and relative areas corresponding to (Q⁰+Q¹) and Q² assigned using Gaussian function referencing. Physical properties including hardness, surface morphology, and density were analyzed in relation to structural changes. The substitution of CaO and P₂O₅ with ZnO increases bridging oxygen (BO) concentration up to 20 mol% ZnO, enhancing glass ceramic hardness, demonstrating ZnO’s network former role in this concentration range. Further ZnO addition (> 20 mol%) decreases BO content and hardness, indicating a transition to a modifier role. The reduction in P₂O₅ and CaO contents increases non-bridging oxygen (NBO) bonds in the phosphate network, leading to increased free volumes (Vf) and oxygen molar volume in the studied glass ceramics.

50CaO-50P₂O₅、50ZnO-50P₂O₅和xZnO体系中的磷酸钙、磷酸锌和混合磷酸钙锌玻璃陶瓷。通过湿水热技术制备了(100-x)(CaO-P₂O₅),x = 0-50 mol%,经XRD和SEM-EDX分析证实,生成了多晶材料。尖锐的XRD图谱对应于各自体系中Ca₃(PO₄)2、Zn₃(PO₄)2和Zn₂Ca(PO₃)2相的结晶。FTIR光谱能够计算与不同磷酸盐(Q²)浓度成比例的相对面积,使用高斯函数参考分配对应于(Q⁰+Q¹)和Q²的峰和相对面积。分析了硬度、表面形貌和密度等物理性能与结构变化的关系。氧化锌取代CaO和P₂O₅将桥接氧(BO)浓度提高到20 mol% ZnO,提高了玻璃陶瓷的硬度,证明了氧化锌在该浓度范围内的网络原作用。进一步添加氧化锌(> 20 mol%)降低了BO含量和硬度,表明其向改性剂的作用转变。P₂O₅和CaO含量的减少增加了磷酸盐网络中的非桥接氧(NBO)键,导致所研究的玻璃陶瓷中的自由体积(Vf)和氧摩尔体积增加。
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引用次数: 0
Metamagnetic transition and spin fluctuation induced magnetocaloric effect in Ho2Co3Si5 alloy 超磁跃迁和自旋涨落诱导Ho2Co3Si5合金的磁热效应
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-01 DOI: 10.1007/s00339-025-09172-9
Athul S R, Andrea Dzubinska, Marian Reiffers, Nagalakshmi R

The magnetic and magnetocaloric properties of the compound Ho2Co3Si5 have been thoroughly investigated. This material crystallizes in single phase with a Lu2Co3Si5-type monoclinic crystal structure, belonging to the space group C12/c1, and exhibits lattice parameters of a = 10.7333(2) Å, b = 11.4132(4) Å, c = 5.4812(2) Å and β = 118.6635(3)(:^circ:). This compound exhibits antiferromagnetic behaviour with a Néel temperature, TN = 10 K. The alloy also demonstrates a second-order magnetic behaviour with isothermal magnetization measurements revealing the presence of metamagnetic transitions. The quadratic dependence of the magnetocaloric effect on the applied magnetic field data in the paramagnetic regime suggests that the applied magnetic field plays a key role in suppressing spin fluctuations. The metamagnetic transition, along with the spin fluctuations, broadens the magnetocaloric curve, thereby enhancing the magnetocaloric effect. A maximum magnetic entropy change of 11.3 J/kg K and a relative cooling power of 226 J/kg are achieved under a magnetic field change of 5 T. Additionally, a magnetoresistance of -16% is observed at T = 2 K, at an applied magnetic field, B = 9 T. These aspects project Ho2Co3Si5 as a suitable material for magnetocaloric applications.

研究了化合物Ho2Co3Si5的磁性和磁热学性质。该材料为单相结晶,具有lu2co3si5型单斜晶结构,属于C12/c1空间群,晶格参数为a = 10.7333(2) Å, b = 11.4132(4) Å, c = 5.4812(2) Å, β = 118.6635(3) (:^circ:)。该化合物表现出反铁磁性,温度为nsamel, TN = 10 K。该合金还表现出二阶磁性行为,等温磁化测量揭示了超磁跃迁的存在。顺磁区磁热效应对外加磁场数据的二次依赖关系表明,外加磁场在抑制自旋涨落方面起着关键作用。超磁跃迁和自旋涨落使磁热效应曲线变宽,从而增强了磁热效应。在5 t的磁场变化下,最大磁熵变化为11.3 J/kg K,相对冷却功率为226 J/kg,磁电阻为-16% is observed at T = 2 K, at an applied magnetic field, B = 9 T. These aspects project Ho2Co3Si5 as a suitable material for magnetocaloric applications.
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引用次数: 0
Simulation and experimental investigations into chip formation mechanism of drilling for Zr-based bulk metallic glass zr基大块金属玻璃钻孔切屑形成机理的模拟与实验研究
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-01 DOI: 10.1007/s00339-025-09173-8
Yongjie Gao, Yin Liu, Feng Kang, Heran Yang, Zhenjiang Li, Zewei Yuan, Sheng Qu, Shibo Mu, Hongxun Zhao, Haosheng Dong

Bulk metallic glasses (BMGs) have wide applications in aerospace, automotive power, and healthcare, and have become a new material with broad application potential. High material removal rate and high-efficiency drilling are among the main processes for creating holes with high dimensional accuracy and high casting surface quality. Poor hole quality can lead to cracks and reduced reliability. To propose a machining process suitable for amorphous alloys and achieve better drilling quality, this paper focuses on the Zr-based bulk metallic glass Zr52Cu17.5Ti16Ni12Nb2.5 as the research object. The drilling characteristics of the bulk metallic glass are studied through a combination of experiments and simulations, finding that the trends of simulation and experimental results are consistent, though the difference is around 30%. When the feed rate f = 1.2 mm/min, increasing the spindle speed reduces both axial force and torque. When the speed n is 5000 r/min, both axial force and torque increase with feed rate. By studying the effect of cutting parameters on drilling force during the machining of amorphous alloys, it is found that as the spindle speed increases from 4000 r/min to 10,000 r/min, the axial force Fz gradually decreases from the initial 47.16 N to 27.09 N, a reduction of 42.6%. The torque Mz gradually decreases from the initial 0.521 N·m to 0.355 N·m, a reduction of 31.9%. When the feed rate increases from 0.3 mm/min to 2.1 mm/min, the axial force gradually increases from the initial 33.62 N to 55.48 N, an increase of 65.0%, and the torque Mz gradually increases from the initial 0.394 N·m to 0.523 N·m, an increase of 32.7%. Through studying chip breakage and machined hole quality, it is found that as the spindle speed increases, the hole quality first improves and then deteriorates, with the highest quality achieved at a spindle speed of n = 5000 r/min. Both excessively high and low feed rate reduce hole quality, and the best hole quality at the exit is achieved at a feed rate of f = 1.2 mm/min.

大块金属玻璃在航空航天、汽车动力、医疗保健等领域有着广泛的应用,是一种具有广阔应用潜力的新型材料。高材料去除率和高效率钻孔是制造高尺寸精度和高铸件表面质量孔的主要工艺。孔质量差会导致裂纹和可靠性降低。为了提出一种适合非晶合金的加工工艺,并获得更好的钻孔质量,本文以zr基大块金属玻璃Zr52Cu17.5Ti16Ni12Nb2.5为研究对象。通过实验与仿真相结合的方法对大块金属玻璃的钻孔特性进行了研究,发现模拟结果与实验结果趋势一致,但差异在30%左右。当进给速度f = 1.2 mm/min时,主轴转速的增加使轴向力和转矩均减小。转速n为5000 r/min时,轴向力和转矩均随进给量增大而增大。通过研究非晶合金加工过程中切削参数对钻削力的影响,发现随着主轴转速从4000 r/min增加到10000 r/min,轴向力Fz从最初的47.16 N逐渐减小到27.09 N,减小幅度为42.6%。转矩Mz由初始的0.521 N·m逐渐减小至0.355 N·m,减小幅度为31.9%。当进给速度从0.3 mm/min增加到2.1 mm/min时,轴向力从初始的33.62 N逐渐增加到55.48 N,增加了65.0%,转矩Mz从初始的0.394 N·m逐渐增加到0.523 N·m,增加了32.7%。通过对切屑破损和加工孔质量的研究发现,随着主轴转速的增加,孔质量先提高后恶化,当主轴转速为n = 5000 r/min时,孔质量达到最高。进给速度过高和过低都会降低孔质量,进给速度f = 1.2 mm/min时,出口孔质量最佳。
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引用次数: 0
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Applied Physics A
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