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Wall mosaics of Thessaloniki: A comparative study of the brown tesserae 塞萨洛尼基的马赛克壁画:棕色壁画的比较研究
Pub Date : 2024-02-01 DOI: 10.1002/appl.202300120
Maria Kyranoudi, Lamprini Malletzidou, Triantafillia Zorba, George Vourlias, Vasilios Melfos, Eleni Pavlidou, Konstantinos Chrissafis

The present study focuses on the archaeometric investigation of 10 brown tesserae belonging to Early Christian/Byzantine wall mosaics of three monuments of Thessaloniki, inscribed on the World Heritage List of UNESCO: Rotunda, St. Sophia, and St. Demetrios. The tesserae were analyzed via optical microscopy (OM), scanning electron microscopy-energy dispersive spectroscopy (SEM-EDS), X-ray diffraction (XRD), and UV-Vis reflectance spectroscopy to define their composition and technological characteristics. Nine of the tesserae are made of silica glass while one tessera is made of a siliceous rock. The majority of the glass tesserae, despite the chronological distance of the monuments they were collected from, present similar technological features, base glass composition, colorants, and opacifiers. Metallic copper is the main element responsible for the brown color in relation to iron which serves as a reducing agent. Opacification is attributed to tin compounds.

本研究的重点是对被列入联合国教科文组织世界遗产名录的塞萨洛尼基三座古迹的早期基督教/拜占庭壁画中的十块褐色壁画碎片进行考古调查:轮廊、圣索菲亚和圣德梅特里奥斯。通过光学显微镜 (OM)、扫描电子显微镜-能量色散光谱仪 (SEM-EDS)、X 射线衍射 (XRD) 和紫外可见反射光谱仪对这些壁画进行了分析,以确定其成分和工艺特征。其中九块魔方由硅玻璃制成,一块魔方由硅质岩石制成。尽管从不同的古迹中采集到的玻璃砖在年代上相距甚远,但大多数玻璃砖都呈现出相似的技术特征、基本玻璃成分、着色剂和不透明剂。金属铜是造成棕色的主要元素,而铁则是还原剂。本文受版权保护。本文受版权保护,保留所有权利。
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引用次数: 0
The high-pressure response of trans-cinnamic acid crystals studied by Raman spectroscopy 利用拉曼光谱研究反式肉桂酸晶体的高压响应
Pub Date : 2024-01-31 DOI: 10.1002/appl.202300129
Anna Marinopoulou, Vasiliki Christopoulou, Olga Karabinaki, Dimitris Christofilos, John Arvanitidis

The pressure response of crystalline trans-cinnamic acid is studied by means of Raman spectroscopy up to 6 GPa. Pressure application causes the reversible shift of all the observed Raman peaks to higher frequencies and changes in their relative intensities, with the intermolecular vibrational modes being by far more sensitive to pressurization compared to the intramolecular ones. The present high-pressure Raman data indicate the structural stability of the trans-cinnamic acid crystal and molecular conformation up to the highest pressure attained in the experiments, the importance of the hydrogen bonding, as well as the considerable strengthening of the intermolecular interactions at elevated pressures.

通过拉曼光谱研究了晶体反式肉桂酸在 6 GPa 以下的压力响应。施加压力会导致所有观测到的拉曼峰向更高频率发生可逆移动,并改变其相对强度,与分子内振动模式相比,分子间振动模式对加压更为敏感。目前的高压拉曼数据表明,反式肉桂酸晶体和分子构象在实验中达到的最高压力下具有结构稳定性,氢键非常重要,而且分子间的相互作用在高压下得到了显著加强。本文受版权保护。
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引用次数: 0
Determination of volatile organic solvents in photoinitiators using headspace gas chromatography 利用顶空气相色谱测定光引发剂中的挥发性有机溶剂
Pub Date : 2024-01-31 DOI: 10.1002/appl.202400002
Yulian Pang, Guiqin Tian, Xun Sun, Hongmei Li, Fan Liu, Qian Wu, Pengfei Lai, Peng Luo, Yingquan Zou

A rapid headspace gas chromatography method has been developed for the determination of residual organic solvents in photoinitiators. Using water-glyceryl triacetate as the solvent, the method was used to determine the residual levels of 11 volatile organic compounds (VOCs), namely, benzene, toluene, xylene, methanol, ethanol, acetonitrile, acetone, n-hexane, dichloromethane, tetrahydrofuran, and ethyl acetate, in photoinitiators. Under the selected instrument operating conditions, all the residual solvents were completely separated. A detailed analysis was conducted on these 11 organic solvents. The mass concentrations of these solvents were linearly correlated with the chromatographic peak area, with a linear R2 is called determination coefficient R2 ≥ 0.99, and the relative standard deviation (n = 5) was less than 5.8%. The recovery rates of n-hexane and toluene were 90.3% and 102.9%, respectively. The method exhibits good precision and accuracy, making it suitable for the rapid detection and inspection of 11 residual VOC components in photoinitiators. The practical applicability of the method was evaluated by blue applicability grade index and the score was 75.0 demonstrating its good practicality and applicability.

我们开发了一种快速顶空气相色谱法,用于测定光引发剂中残留的有机溶剂。该方法以水-甘油三乙酸酯为溶剂,测定了光引发剂中苯、甲苯、二甲苯、甲醇、乙醇、乙腈、丙酮、正己烷、二氯甲烷、四氢呋喃和乙酸乙酯等 11 种挥发性有机化合物的残留量。在选定的仪器操作条件下,所有残留溶剂都被完全分离。对这 11 种有机溶剂进行了详细分析。这些溶剂的质量浓度与色谱峰面积呈线性相关,线性 R2 即测定系数 R2≥0.99 ,相对标准偏差(RSD,n=5)小于 5.8%。正己烷和甲苯的回收率分别为 90.3% 和 103.0%。该方法具有良好的精密度和准确度,适用于光引发剂中11种残留挥发性有机化合物成分的快速检测。该方法的实用性经蓝色适用等级指数(BAGI)评价,得分为75.0,表明该方法具有良好的实用性和适用性。本文受版权保护。
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引用次数: 0
Investigating surface integrity and mechanical behavior of selective laser melting for dental implants 研究用于牙科植入物的选择性激光熔化的表面完整性和机械行为
Pub Date : 2024-01-31 DOI: 10.1002/appl.202300126
Mohammad Rezayat, Omid Ashkani, Raheleh Fadaei

Selective laser melting (SLM) is a contemporary manufacturing method that offers numerous advantages for producing various components. This research focuses on the examination of a dental implant sample fabricated using the SLM method. The investigation encompasses multiple aspects, including hardness, dimensional accuracy, strength, and surface properties. The results demonstrate that the hardness of the SLM sample is comparable to that of machined samples, establishing it as a viable alternative to traditional production methods. Dimensional tests reveal that the SLM sample adheres to the required acceptance limits for critical dimensions. The strength of the sample, with a value of 700 MPa, proves to be acceptable for medical applications. The presence of surface porosity and holes in the SLM sample highlights its potential for enhanced bone ossification. However, challenges associated with thread construction in the SLM process require further attention. Overall, this research showcases the promising aspects of the SLM method for dental implant production, while also identifying areas for future investigation and improvement.

选择性激光熔融(SLM)是一种现代制造方法,在生产各种部件方面具有诸多优势。本研究的重点是检查使用 SLM 方法制造的牙科植入体样品。研究涉及多个方面,包括硬度、尺寸精度、强度和表面特性。结果表明,SLM 样品的硬度与机加工样品相当,可作为传统生产方法的可行替代方法。尺寸测试表明,SLM 样品的关键尺寸符合要求。样品的强度值为 700 兆帕,证明在医疗应用中是可以接受的。SLM 样品表面多孔性和孔洞的存在凸显了其增强骨化的潜力。然而,与 SLM 工艺中的螺纹构造相关的挑战需要进一步关注。总之,这项研究展示了 SLM 方法在牙科植入物生产方面的前景,同时也确定了未来需要研究和改进的领域。本文受版权保护,版权所有。
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引用次数: 0
Enhancing fabrication of hybrid microfluidic devices through silane-based bonding: A focus on polydimethylsiloxane-cyclic olefin copolymer and PDMS-lithium niobate 通过硅烷键合增强混合微流控设备的制造:聚焦 PDMS-COC 和 PDMS-LiNbO3
Pub Date : 2024-01-25 DOI: 10.1002/appl.202300116
Abdulrahman Agha, Fadi Dawaymeh, Nahla Alamoodi, Anas Alazzam

Effective manipulation and control of fluids in microfluidic channels requires robust bonding between the different components. Polydimethylsiloxane (PDMS) is widely employed in microchannel fabrication due to its affordability, biocompatibility, and straightforward fabrication process. However, PDMS's low surface energy poses challenges in bonding with many organic and inorganic substrates, hindering the development of hybrid microfluidic devices. In this study, a simple and versatile three step process is presented for bonding PDMS microchannels with organic (cyclic olefin copolymer (COC)) and inorganic substrates (lithium niobate (LiNbO3)) using plasma activation and a silane coupling agent. Initially, the PDMS surface undergoes oxygen/argon plasma activation, followed by functionalization with (3-aminopropyl) triethoxysilane (APTES). Subsequently, the COC or LiNbO3 is plasma activated and brought into contact with PDMS under a load at a specific temperature. Characterization by Fourier transform infrared, scanning electron microscopy, atomic force microscopy, and contact angle measurements confirmed the successful treatment of the substrates. In addition, bonding strength of the fabricated hybrid devices was assessed through leakage and tensile tests. Under optimized conditions (100°C and 4% v/v APTES), PDMS-COC hybrid microchannels achieved a flow rate of 600 mL/h without leakage and a tensile strength of 562 kPa. Conversely, the PDMS- LiNbO3 assembly demonstrated a flow rate of 216 mL/h before leakage, with a tensile strength of 334 kPa. This bonding method exhibits significant potential and versatility for various materials in microfluidic applications, ranging from biomedical research to enhanced oil recovery.

在微流体通道中有效操纵和控制流体需要不同组件之间牢固的粘合。聚二甲基硅氧烷(PDMS)因其价格低廉、生物相容性好、制造工艺简单而被广泛用于微通道制造。然而,PDMS 的低表面能给与许多有机和无机基底的粘合带来了挑战,阻碍了混合微流控设备的开发。本研究采用等离子活化和硅烷偶联剂,提出了一种简单、通用的三步工艺,用于将 PDMS 微通道与有机基底(环烯烃共聚物 (COC))和无机基底(铌酸锂 (LiNbO3))粘合在一起。首先,PDMS 表面进行氧/氩等离子活化,然后用 (3-aminopropyl) triethoxysilane (APTES) 进行功能化。随后,COC 或 LiNbO3 经过等离子活化,并在特定温度下与 PDMS 接触。通过傅立叶变换红外光谱、扫描电子显微镜、原子力显微镜和接触角测量进行的表征证实了基底处理的成功。此外,还通过泄漏和拉伸测试评估了制作的混合器件的粘合强度。在优化条件下(100°C 和 4% v/v APTES),PDMS-COC 混合微通道的流速达到 600 mL/h,无泄漏,拉伸强度达到 562 kPa。相反,PDMS- LiNbO3 组件在泄漏前的流速为 216 mL/h,拉伸强度为 334 kPa。这种粘合方法在微流体应用中的各种材料方面展示了巨大的潜力和多功能性,应用范围从生物医学研究到提高石油采收率(EOR)。本文受版权保护。
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引用次数: 0
Optical properties of Cu, Ag, and Au nanoparticles with different sizes and shapes 不同尺寸和形状的铜、银和金纳米粒子的光学特性
Pub Date : 2024-01-24 DOI: 10.1002/appl.202300101
Fotios I. Michos, Alexandros G. Chronis, Christos S. Garoufalis, Michael M. Sigalas

The absorption spectra of various sizes of nanoparticles of copper (Cu), silver (Ag), and gold (Au) are theoretically investigated. The density functional theory (DFT), time-dependent DFT (TDDFT), and real-time TDDFT are used to demonstrate how size and shape affect their optical properties and how these are evolved as the number of atoms increases. For this reason, the focus was turned on almost spherical nanoparticles cut out from the corresponding crystal structure (called 0D), elongated ones (1D), and flattened ones (2D). The nature of the observed absorption peaks is further analyzed with the help of transition contribution maps and induced density plots which help us identify the emergence of probable plasmonic resonances as the size of the nanoparticles increases.

从理论上研究了各种尺寸的铜(Cu)、银(Ag)和金(Au)纳米粒子的吸收光谱。密度泛函理论(DFT)、时变 DFT(TDDFT)和实时 TDDFT(RT-TDDFT)被用来证明尺寸和形状如何影响它们的光学特性,以及这些特性如何随着原子数量的增加而演变。因此,研究重点转向了从相应晶体结构中切割出来的近似球形的 NPs(称为 0D)、拉长的 NPs(1D)和扁平的 NPs(2D)。在过渡贡献图(TCM)和诱导密度图的帮助下,我们进一步分析了观察到的吸收峰的性质,这有助于我们确定随着纳米粒子尺寸的增大,可能出现的等离子体共振。本文受版权保护。
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引用次数: 0
A hybrid molecular dynamics/machine learning framework to calculate the viscosity and thermal conductivity of Ar, Kr, Xe, O, and Ν 计算 Ar、Kr、Xe、O 和 Ν 的粘度和热导率的混合分子动力学/机器学习框架
Pub Date : 2024-01-18 DOI: 10.1002/appl.202300127
Christos Stavrogiannis, Vasilis Tsioulos, Filippos Sofos

In this paper, molecular dynamics (MD) simulations and machine learning (ML) methods are combined to obtain the transport properties, such as viscosity and thermal conductivity, of five basic elements, which are computationally hard to obtain at the nanoscale and extremely demanding to estimate accurately through an experimental procedure. Starting from an experimental database from literature sources, we extend the (P-T) space on which the transport properties are calculated by employing MD simulations and ML predictions, in a synergistic mode. Results refer to all fluid states (gas, liquid, supercritical), under ambient and supercritical conditions, suggesting an alternative path that can be accurately followed to bypass expensive experiments and costly numerical simulations. Nine different ML algorithms are exploited and assessed on their prediction ability, with tree-based architectures achieving increased accuracy on the implied data set. The proposed computational platform runs fast in a common python Jupyter environment, both for MD and ML, and can be adjusted and extended for the calculation of material properties both in interpolation and extrapolation applications.

本文结合分子动力学(MD)模拟和机器学习(ML)方法,获得了五种基本元素的输运特性,如粘度和热导率。从文献来源的实验数据库开始,我们通过 MD 模拟和 ML 预测,以协同模式扩展了计算传输特性的 (P-T) 空间。结果涉及环境和超临界条件下的所有流体状态(气体、液体、超临界),提出了一种可准确遵循的替代途径,以绕过昂贵的实验和昂贵的数值模拟。我们利用了九种不同的 ML 算法,并对其预测能力进行了评估,其中基于树形结构的算法提高了隐含数据集的准确性。所提出的计算平台可在普通 Python Jupyter 环境中快速运行,既可用于 MD,也可用于 ML,并可在内插法和外推法应用中调整和扩展材料属性计算。本文受版权保护,保留所有权利。
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引用次数: 0
Inkjet-printed flexible MXetronics: Present status and future prospects 喷墨打印柔性 MXetronics:现状与前景
Pub Date : 2024-01-12 DOI: 10.1002/appl.202300085
Rajavel Krishnamoorthy, Suprem R. Das

Over the past several years, atomically thin two-dimensional carbides, nitrides, and carbonitrides, otherwise known as MXenes, have been expanded into over fifty material candidates that are experimentally produced, and over one hundred fifty more candidates that have been theoretically predicted. They have demonstrated transformative properties such as metallic-type electrical conductivities, optical properties such as plasmonics and optical nonlinearity, and key surface properties such as hydrophilicity, and unique surface chemistry. In terms of their applications, they are poised to transform technological areas such as energy storage, electromagnetic shielding, electronics, photonics, optoelectronics, sensing, and bioelectronics. One of the most promising aspects of MXene's future application in all the above areas of interest, we believe, is reliably developing their flexible and bendable electronics and optoelectronics by printing methods (henceforth, termed as printed flexible MXetronics). Designing and manipulating MXene conductive inks according to the application requirements will therefore be a transformative goal for future printed flexible MXetronics. MXene's combined property of high electrical conductivity and water-friendly nature to easily disperse its micro/nano-flakes in an aqueous medium without any binder paves the way for designing additive-free highly conductive MXene ink. However, the chemical and/or structural and hence functional stability of water based MXene inks over time is not reliable, opening research avenues for further development of stable and conductive MXene inks. Such priorities will enable applications requiring high-resolution and highly reliable printed MXene electronics using state-of-the art printing methods. Engineering MXene structural and surface functional properties while tuning MXene ink rheology in benign solvents of choice will be a key for ink developments. This review article summarizes the present status and prospects of MXene inks and their use in inkjet-printed (IJP) technology for future flexible and bendable MXetronics.

在过去的几年中,原子薄二维碳化物、氮化物和碳氮化物(又称 MXenes)已扩展为五十多种实验生产的候选材料,以及一百五十多种理论预测的候选材料。它们已显示出变革性的特性,如金属型导电性、等离子体和光学非线性等光学特性,以及亲水性和独特的表面化学性等关键表面特性。在应用方面,它们有望在未来改变能源存储、电磁屏蔽、电子学、光子学、光电子学、传感和生物电子学等技术领域。我们认为,MXene 未来在上述所有领域最有前景的应用之一,是通过印刷方法开发柔性可弯曲电子和光电子技术(以下称为印刷柔性 MXetronics)。因此,根据应用要求设计和处理 MXene 导电油墨将是未来印刷电子技术的一个变革性目标。MXene 具有高导电性和亲水性的双重特性,可在水介质中轻松分散其微/纳米薄片而无需任何粘合剂,这为设计无添加剂的高导电性 MXene 油墨铺平了道路。然而,水基 MXene 油墨的化学稳定性和/或结构稳定性以及功能稳定性并不可靠,这为进一步开发稳定的导电 MXene 油墨开辟了研究途径。这些优先事项将有助于利用最先进的印刷方法实现需要高分辨率和高可靠性印刷 MXene 电子元件的应用。设计 MXene 的结构和表面功能特性,同时调整 MXene 油墨在所选溶剂中的流变性将是油墨开发的关键。这篇综述文章总结了 MXene 油墨的现状和前景,以及它们在喷墨打印 (IJP) 技术中的应用,以实现未来柔性和可弯曲的 MXetronics。本文受版权保护,保留所有权利。
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引用次数: 0
Evolution of surface microstructure of Re-Al-Ni-Au based ohmic contacts on n-type GaN n 型氮化镓上基于 Re-Al-Ni-Au 的欧姆触点表面微观结构的演变
Pub Date : 2024-01-11 DOI: 10.1002/appl.202300144
Amit P. Shah, Bhagyashree A. Chalke, Jayesh B. Parmar, Manish B. Ghag, Arnab Bhattacharya

Recently, rhenium (Re) based ohmic contacts to GaN have been studied for their low resistivity, smooth surface morphology, and sharp edge acuity at low annealing temperatures. In this work, we discuss the evolution of surface microstructures for Re-Al-Ni-Au ohmic contacts on n-GaN as a function of Re layer thickness and annealing temperature. For all Re thicknesses, the Al and Ni segregate into agglomerates that increase in size with increasing annealing temperature. These agglomerates are surrounded by Al-Au films. Along with the underlying Re layer, they form different crystallographic phases of Re-Al-Ni, Al6Re, AlAu2, and Al2Au5. This, along with the formation of Re-N phases at the metal-semiconductor interface leads to low resistivity ohmic contacts on n-GaN. Investigating the evolution of the contact microstructure is an important step in understanding the behavior of the Re-based ohmic contact system.

最近,人们对基于铼(Re)的氮化镓欧姆触点进行了研究,发现其在低退火温度下电阻率低、表面形态光滑、边缘清晰。在这项工作中,我们讨论了 n-GaN 上 Re-Al-Ni-Au 欧姆触点的表面微结构演变与 Re 层厚度和退火温度的函数关系。在所有 Re 层厚度下,铝和镍都会偏析成团块,并随着退火温度的升高而增大。这些团聚体被 Al-Au 膜包围。它们与下面的 Re 层一起形成了 Re-Al-Ni、Al6Re、AlAu2 和 Al2Au5 等不同的结晶相。这与金属-半导体界面上形成的 Re-N 相一起,导致了 n-GaN 上的低电阻率欧姆接触。研究接触微观结构的演变是了解基于 Re 的欧姆接触系统行为的重要一步。
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引用次数: 0
Impact on casting die diameter size on microstructure and fractographic studies of Al2024 alloy reinforced with fly ash and SiC hybrid composites 铸造模具直径大小对粉煤灰和碳化硅混合复合材料强化的 Al2024 合金微观结构和断口研究的影响
Pub Date : 2024-01-11 DOI: 10.1002/appl.202300066
Subbaraya M. Kumar, Mahendra Konanur Vishwanathaiah, Bharatish Achuta Roa, Manjunath Basavanappa, Nagaraj Namadev, Madeva Nagaral

The development of metal matrix composites is important for industrial applications that require lightweight materials with high strength, stiffness, and wear resistance. In this investigation, Al2024 alloy was reinforced with fly ash and silicon (SiC) carbide hybrid composites using the stir-squeeze cast technique. Two sets of composites were fabricated: one with 3 wt% fly ash and 3 wt% SiC, and the other with 3 wt% fly ash, 5 wt% SiC, and 3 wt% fly ash, 7 wt% SiC The composites were prepared using 25 and 75 mm diameter dies. Microstructural characterization of the specimens was performed using scanning electron microscope, X-ray powder diffraction, and energy dispersive X-ray spectroscopy analysis. Mechanical properties, such as yield strength, ultimate tensile strength, and hardness, were determined according to American Society for Testing and Materials standards. The hybrid composites fabricated in the 25 mm diameter cast iron molds exhibited superior mechanical properties compared to those prepared in the 75 mm diameter molds. The addition of fly ash and SiC particulates enhanced the mechanical properties of the Al2024 alloy. These composites showed improved strength, toughness, and ductility.

金属基复合材料的开发对于需要高强度、高刚度和高耐磨性轻质材料的工业应用非常重要。在这项研究中,采用搅拌挤压铸造技术,用粉煤灰和碳化硅(SiC)混合复合材料增强了 Al2024 合金。制作了两组复合材料:一组含有 3 wt% 粉煤灰和 3 wt% 碳化硅,另一组含有 3 wt% 粉煤灰、5 wt% 碳化硅和 3 wt% 粉煤灰、7 wt% 碳化硅。使用扫描电子显微镜、X 射线粉末衍射和能量色散 X 射线光谱分析对试样进行了微观结构表征。屈服强度、极限拉伸强度和硬度等机械性能是根据美国材料与试验协会的标准测定的。与使用直径为 75 毫米的铸铁模具制备的混合复合材料相比,使用直径为 25 毫米的铸铁模具制备的混合复合材料具有更优越的机械性能。粉煤灰和碳化硅微粒的添加增强了 Al2024 合金的机械性能。这些复合材料的强度、韧性和延展性都有所提高。
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引用次数: 0
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