Materialia最新文献

英文中文

Rapid biofabrication of cell-free, anisotropic collagen tissues using a novel horizontal shear flow technique 利用新型水平剪切流技术快速制造无细胞的各向异性胶原组织

IF 3 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materialia

Pub Date : 2024-11-02 DOI: 10.1016/j.mtla.2024.102281

Ultrastructure and organisation of collagen fibres is essential to tissue function, due to the loadbearing properties of collagen. Current techniques used to create aligned collagen tissue equivalents use the contractile ability of cells to remodel and align collagen fibres or utilise highly specialised pieces of equipment. The aim of this study is to develop a novel and rapid method to produce acellular aligned collagen sheets by combining horizontal shear flow (HSFlow) and the established RAFT method to remove excess fluid from a hydrogel.

Force applied to the gel during the HSFlow process was measured to allow replication of the method. Quantification of fibres and cellular alignment revealed a significant difference between HSFlow and control samples, where both cells and collagen fibres showed alignment in the direction of shear flow, compared to the randomly aligned RAFT controls. Mechanical properties were also measured and revealed that HSFlow does not appear to improve the strength of the constructs despite the improved alignment, therefore further optimisation is needed to strengthen the constructs.

In conclusion, we developed a novel and rapid technique to generate flat sheets of aligned collagen without relying on the contractile ability of cells to rearrange collagen fibres. This rapid method has potential to be used in the fabrication of a scaffold to mimic anisotropic tissues for regenerative medicine.

由于胶原蛋白的承重特性，胶原纤维的超微结构和组织对组织功能至关重要。目前用于制造对齐胶原组织等效物的技术利用细胞的收缩能力来重塑和对齐胶原纤维，或使用高度专业化的设备。本研究的目的是开发一种新颖、快速的方法，通过结合水平剪切流（HSFlow）和成熟的 RAFT 方法来去除水凝胶中多余的液体，从而制作细胞排列胶原蛋白片。对纤维和细胞排列的定量分析显示，HSFlow 与对照样品之间存在显著差异，与随机排列的 RAFT 对照组相比，细胞和胶原纤维都显示出沿剪切流方向排列。总之，我们开发了一种新颖而快速的技术，无需依赖细胞的收缩能力来重新排列胶原纤维，即可生成排列整齐的胶原蛋白平板。这种快速方法有望用于制造支架，以模拟再生医学中的各向异性组织。

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引用次数: 0

Biomimetic apatites functionalized with antioxidant phytotherapeutics: The case of chlorogenic and sinapic phenolic compounds 具有抗氧化植物疗法功能的仿生磷灰石：绿原酸和山奈酚化合物的案例

IF 3 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materialia

Pub Date : 2024-10-30 DOI: 10.1016/j.mtla.2024.102271

Synthetic bone-like apatites (i.e. biomimetic apatites) increasingly attract attention in the field of bone substitutes due to their similarity to natural bone mineral and their intrinsic surface reactivity, as opposed to conventional hydroxyapatite. Associations with a range of bioactive species can be a way to further tailor their properties after implantation. In the present work, we have focused on the preparation of hybrid materials combining biomimetic apatites, doped or not with antibacterial Ag⁺ ions for added antimicrobial pertinence, and two biophenolic compounds, namely chlorogenic acid (CA) and sinapic acid (SA). Using complementary characterization techniques, especially FTIR and Raman spectroscopies, as well as Monte Carlo computational simulations, we elucidate the possible interaction between such biophenolic molecules and apatite. The follow-up of isotherms of adsorption also pointed out the quantitative sorption of CA and SA onto biomimetic apatites, potentially up to larger extents than reported so far in the literature for apatitic substrates. Finally, antioxidant properties of prepared hybrids were measured via free radical scavenging tests using DPPH as reactant, showing that the studied phytotherapeutic agents retained antioxidant properties after the adsorption process. This work thus evidences that bone-like apatites can be quantitatively associated to biophenolic bioactive agents to further modulate their properties as smart bone substitutes, providing them additional antioxidant features, among others.

与传统的羟基磷灰石相比，人工合成的类骨磷灰石（即仿生磷灰石）因其与天然骨矿的相似性及其固有的表面反应性而日益受到骨替代品领域的关注。与一系列生物活性物质的结合可以进一步调整其植入后的特性。在本研究中，我们重点制备了仿生磷灰石与两种生物酚类化合物（绿原酸（CA）和山奈酸（SA））的混合材料，前者掺杂或不掺杂抗菌Ag+离子以增加抗菌相关性，后者掺杂或不掺杂抗菌Ag+离子以增加抗菌相关性。利用互补表征技术，特别是傅立叶变换红外光谱和拉曼光谱，以及蒙特卡罗计算模拟，我们阐明了这些生物酚类分子与磷灰石之间可能存在的相互作用。对吸附等温线的跟踪研究也指出了 CA 和 SA 在仿生磷灰石上的定量吸附，其吸附量可能比目前文献中报道的磷灰石基质的吸附量更大。最后，使用 DPPH 作为反应物，通过自由基清除试验测量了制备的混合体的抗氧化特性，结果表明所研究的植物治疗剂在吸附过程后仍具有抗氧化特性。因此，这项研究证明，类骨磷灰石可与生物酚类生物活性剂定量结合，进一步调节其作为智能骨替代品的特性，使其具有额外的抗氧化功能等。

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引用次数: 0

In situ weak-beam scanning transmission electron microscopy observation of geometrically necessary dislocations formed by Mn precipitates in A533B alloy steel 原位弱光束扫描透射电子显微镜观察 A533B 合金钢中锰析出物形成的几何必要位错

IF 3 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materialia

Pub Date : 2024-10-28 DOI: 10.1016/j.mtla.2024.102272

In this study, the Charpy impact test was performed for mechanically introducing cracks in A533B steel. Then, in situ weak-beam scanning transmission electron microscopy (WB-STEM) annealing tests were performed from room temperature to 600 °C. A wide area surface polishing method that did not require chemical polishing or resin-filling process for bulk specimens were developed for microsampling a 200 nm thin film. The film was sampled from the strain site at the crack tip (EBSD-KAM value: 2.7°) via Focus ion beam-scanning electron microscopy (FIB-SEM), i.e., the inhomogeneous plastic deformation zone of dislocation density above 2.5 × 10¹⁶ /m² formed by Mn precipitates. In isochronous annealing process imaging, the dynamic behavior of dislocations was successfully visualized using movie files with a spatial resolution of 0.4 nm/pixel and a temporal resolution of 1s/frame via WB-STEM. Results revealed thermal relaxation of local strain as high density dislocations deformed into new subgrain boundaries via the geometrically necessary dislocation network at control temperatures from 500 °C to 550 °C.

本研究采用夏比冲击试验在 A533B 钢中引入机械裂纹。然后，进行了从室温到 600 °C 的原位弱光束扫描透射电子显微镜（WB-STEM）退火试验。开发了一种无需化学抛光或树脂填充工艺的大面积表面抛光方法，用于对 200 nm 薄膜进行微取样。通过聚焦离子束扫描电子显微镜（FIB-SEM）从裂纹尖端的应变部位（EBSD-KAM 值：2.7°）对薄膜进行取样，即由锰析出物形成的位错密度超过 2.5 × 1016 /m2 的不均匀塑性变形区。在等速退火过程成像中，通过 WB-STEM 使用空间分辨率为 0.4 nm/像素、时间分辨率为 1s/ 帧的电影文件成功地观察到了位错的动态行为。结果显示，在 500 ℃ 至 550 ℃ 的控制温度下，高密度位错通过几何上必要的位错网络变形为新的亚晶粒边界，从而实现了局部应变的热松弛。

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引用次数: 0

Evaluation of elastic constants of M23C6 and M7C3 embedded in Fe-Cr-C alloys using in-situ XRD tensile test and self-consistent model 利用原位 XRD 拉伸试验和自洽模型评估嵌入 Fe-Cr-C 合金中的 M23C6 和 M7C3 的弹性常数

IF 3 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materialia

Pub Date : 2024-10-28 DOI: 10.1016/j.mtla.2024.102274

This paper investigates the elastic properties of the model Fe-Cr-C alloys, specifically focusing on M₂₃C₆ and M₇C₃. The study uses in-situ synchrotron X-ray data during tensile deformation to determine the individual elastic characteristics of the matrix and iron/chromium carbides. The experimental results obtained from in-situ X-ray diffraction (XRD) are compared to the elastic constants of carbides that were reported in previous studies and derived using density function theory (DFT). The appropriate elastic constants for M₂₃C₆ and M₇C₃ were selected based on the self-consistent code executing with reported elastic constants. The directional elastic modulus and Poisson's ratio of iron/chromium carbides are calculated, and the anisotropy of the elastic constants is evaluated using the XRD lattice deformations under loading. The elastic modulus of carbide varies with the volume fraction of carbide in the effective medium. The study finds that the hexagonal structure is more probable than orthorhombic structure for M₇C₃ due to well-matched estimations of the directional elastic modulus and Poisson's ratio obtained from in-situ XRD data and the self-consistent calculations. In-situ XRD analysis of elastic behavior of each diffraction can be used to demonstrate the elastic constants of carbides and shows potential for obtaining precise elastic constants by integrating with self-consistent modeling and DFT.

本文研究了铁-铬-碳合金模型的弹性特性，特别侧重于 M23C6 和 M7C3。研究利用拉伸变形过程中的原位同步辐射 X 射线数据来确定基体和铁/铬碳化物的个别弹性特性。通过原位 X 射线衍射 (XRD) 获得的实验结果与之前研究报告中使用密度函数理论 (DFT) 得出的碳化物弹性常数进行了比较。M23C6 和 M7C3 的适当弹性常数是根据自洽代码与报告的弹性常数的执行结果选出的。计算了铁/铬碳化物的定向弹性模量和泊松比，并利用加载下的 XRD 晶格变形评估了弹性常数的各向异性。碳化物的弹性模量随有效介质中碳化物的体积分数而变化。研究发现，由于从原位 XRD 数据和自洽计算中获得的方向弹性模量和泊松比估计值非常匹配，M7C3 的六方结构比正方结构更有可能。对每种衍射的弹性行为的原位 XRD 分析可用于证明碳化物的弹性常数，并显示了通过与自洽建模和 DFT 相结合获得精确弹性常数的潜力。

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引用次数: 0

Effect of grain size and dislocation density on thermal stability of Al-Cu-Mg alloy 晶粒尺寸和位错密度对铝铜镁合金热稳定性的影响

IF 3 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materialia

Pub Date : 2024-10-26 DOI: 10.1016/j.mtla.2024.102276

Thermostable Al alloys have been a consistent focus for decades, mainly adopting alloying strategy to improve thermostability of precipitates. In this work, it was found that matrix defects controlling could be a new way to improve thermal stability of Al alloys. Three alloys with composition of Al-4.1Cu-2.1Mg-0.3Mn but varied dislocation densities and grain sizes were prepared, and their thermal stability at 200 °C were investigated by identifying hardness vs. holding time curves. It revealed that the alloy with high dislocation density and small grain size showed poor thermal stability. Because dislocation and grain boundary provided accelerated diffusion channels for Cu and Mg atoms, leading to rapid growth of S’(Al₂CuMg) precipitates, and the growth rate was a liner function of square of dislocation density ρ² or square of grain size reciprocal 1/d² according to data fitting. A “dislocation affected zone” model was proposed to explain the diffusion phenomenon.

几十年来，热稳定性铝合金一直是人们关注的焦点，主要采用合金化策略来提高析出物的热稳定性。这项研究发现，控制基体缺陷可能是提高铝合金热稳定性的一种新方法。研究人员制备了三种合金，其成分为 Al-4.1Cu-2.1Mg-0.3Mn，但位错密度和晶粒大小各不相同。结果表明，位错密度高、晶粒尺寸小的合金热稳定性较差。由于位错和晶界为铜和镁原子提供了加速扩散的通道，导致 S'(Al2CuMg)析出物快速生长，根据数据拟合，生长速率是位错密度 ρ2 的平方或晶粒尺寸倒数 1/d2 的平方的衬函数。提出了 "位错影响区 "模型来解释扩散现象。

引用次数: 0

Machine learning predictions of spatter behavior in LPBF additive manufacturing 机器学习预测 LPBF 快速成型制造中的飞溅行为

IF 3 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materialia

Pub Date : 2024-10-24 DOI: 10.1016/j.mtla.2024.102268

The adoption of additive manufacturing (AM) technologies, particularly Laser Powder Bed Fusion (LPBF), has been rapidly increasing in industries requiring high precision and complex geometries. Despite its advantages, LPBF faces challenges related to defects that affect material quality, with spatter formation being a significant concern. Spatters – tiny particles ejected during the printing process – can adversely affect the final product’s integrity by altering surface roughness and contributing to defects. This study introduces a comprehensive approach to predict the ejection velocity and direction of spatter particles using a suite of machine learning (ML) algorithms, including Random Forest, Gaussian Process Regression, Support Vector Machine, Regularized Linear Regressions, Gradient Boosting Trees, and Neural Networks. Our analysis reveals that the Neural Network model outperforms others, achieving prediction accuracies of 97.58% for spatter velocity and 88.22% for ejection direction, thus offering a substantial improvement in understanding and controlling spatter-related defects in LPBF processes. The practical implications of these predictions are profound, enabling manufacturers to adjust AM parameters in real time to minimize defects and enhance product quality. This study not only fills a gap in the current literature by providing a detailed comparative analysis of multiple ML algorithms for spatter ejection prediction but also paves the way for future research into real-time monitoring and control systems in AM.

在要求高精度和复杂几何形状的行业中，增材制造（AM）技术，尤其是激光粉末床熔融（LPBF）技术的应用迅速增加。尽管 LPBF 具有诸多优势，但它也面临着与影响材料质量的缺陷有关的挑战，其中飞溅物的形成是一个重大问题。飞溅物--印刷过程中喷射出的微小颗粒--会改变表面粗糙度并导致缺陷，从而对最终产品的完整性产生不利影响。本研究介绍了一种综合方法，利用一套机器学习（ML）算法，包括随机森林、高斯过程回归、支持向量机、正则化线性回归、梯度提升树和神经网络，预测飞溅颗粒的喷射速度和方向。我们的分析表明，神经网络模型优于其他模型，对飞溅速度的预测准确率达到 97.58%，对喷射方向的预测准确率达到 88.22%，从而大大提高了对 LPBF 工艺中飞溅相关缺陷的理解和控制能力。这些预测具有深远的实际意义，使制造商能够实时调整 AM 参数，从而最大限度地减少缺陷，提高产品质量。本研究通过对用于飞溅喷射预测的多种 ML 算法进行详细比较分析，不仅填补了现有文献的空白，还为未来 AM 实时监测和控制系统的研究铺平了道路。

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引用次数: 0

Investigation of kinetics of passive layer formation on various microstructures in thermo-mechanically treated steel in simulated concrete pore solution 模拟混凝土孔隙溶液中热机械处理钢材各种微结构被动层形成动力学研究

IF 3 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materialia

Pub Date : 2024-10-24 DOI: 10.1016/j.mtla.2024.102277

Carbon steel bars are critical in steel-reinforced concrete structures, and their corrosion can lead to significant deterioration. This research explored the passive layer formation on different carbon steel microstructures using a high throughput approach. Thermomechanically treated steel bars with three distinct microstructures, i.e., martensite in the outer layer, bainite in the middle, and pearlite in the center, were vertically cut and immersed in the simulated concrete pore solution. Scanning electrochemical microscopy was employed to study the formation of the passive layer, the kinetics of the passivation, and the effective rate constant of the species inside the solution on each microstructure. Results showed that the formation of the passive layer is a time-dependent process, and passivation was influenced by the local microstructure. Martensite demonstrated superior passivation behavior compared to pearlite and bainite.

碳钢筋在钢筋混凝土结构中至关重要，其腐蚀会导致结构严重老化。本研究采用高通量方法探索了不同碳钢微结构上被动层的形成。经热力学处理的钢筋具有三种不同的微观结构，即外层为马氏体、中间为贝氏体、中心为珠光体。采用扫描电化学显微镜研究了每种微观结构上被动层的形成、钝化动力学以及溶液内部物种的有效速率常数。结果表明，被动层的形成是一个随时间变化的过程，钝化受局部微观结构的影响。与波来石和贝氏体相比，马氏体的钝化性能更优。

引用次数: 0

Optimization of pulse electrodeposition parameters for enhanced resistance to corrosion and hydrogen permeation of zinc coatings 优化脉冲电沉积参数以增强锌镀层的抗腐蚀和抗氢渗透能力

IF 3 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materialia

Pub Date : 2024-10-24 DOI: 10.1016/j.mtla.2024.102273

Corrosion and hydrogen permeation resistance of pulse electrodeposited Zn coatings were correlated with coating micro-texture and strain. The maximum and minimum corrosion resistance were noted for D6F75 (duty cycle 60; frequency 75 Hz) and D8F25 (duty cycle 80; frequency 25 Hz), respectively. The D6F75 coating exhibited a higher fraction of low-energy low-angle grain boundaries (LAGBs) and a preferred texture of

(3 \bar{1} \bar{2} 1)

whereas the D8F25 coating exhibited comparatively low LAGBs fractions and

(2 \bar{1} \bar{1} 0)

orientation. High resistance to hydrogen permeation exhibited by the D6F75 coating was attributed to hydrogen trapping within the coating, which reduced the micro-strain within the coating and diminished the hydrogen concentration gradient, thereby promoting greater surface recombination.

脉冲电沉积锌镀层的耐腐蚀性和抗氢渗透性与镀层的微观纹理和应变有关。D6F75（占空比 60；频率 75 Hz）和 D8F25（占空比 80；频率 25 Hz）的耐腐蚀性分别最大和最小。D6F75 涂层的低能低角晶界（LAGBs）比例较高，优先纹理为（31¯2¯1），而 D8F25 涂层的 LAGBs 比例相对较低，取向为（21¯1¯0）。D6F75 涂层表现出的高抗氢渗透性归因于涂层内的氢截留，这降低了涂层内的微应变，减小了氢浓度梯度，从而促进了更大的表面重组。

引用次数: 0

Grain structure control of TC11 alloy in laser direct energy deposition by a static magnetic field 静磁场在激光直接能量沉积过程中控制 TC11 合金的晶粒结构

IF 3 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materialia

Pub Date : 2024-10-19 DOI: 10.1016/j.mtla.2024.102267

This paper describes a novel in-situ adjustment method of static magnetic field (SMF) for laser additive manufacturing, which realizes the change of grain morphology and weave structure without changing the composition and performing post-processing. The TC11 alloy was prepared by laser direct energy deposition (LDED) under static SMF. The results show that a transverse static SMF of 0.5 T effectively suppresses the tendency of columnar crystals to grow continuously along the build direction and the dominant weaving direction of 〈0001〉 texture, and reduces the anisotropy of the TC11 alloy.

本文介绍了一种用于激光增材制造的新型静态磁场（SMF）原位调节方法，该方法可在不改变成分和不进行后处理的情况下实现晶粒形态和编织结构的改变。在静态 SMF 下，通过激光直接能量沉积（LDED）制备了 TC11 合金。结果表明，0.5 T 的横向静态 SMF 能有效抑制柱状晶沿构建方向和〈0001〉纹理的主导编织方向连续生长的趋势，并降低 TC11 合金的各向异性。

引用次数: 0

Short and medium range order in the rapidly solidified metallic liquid Ta: Atomic packing, connection modes, and pressure effect 快速凝固的金属液体 Ta 中的短程和中程有序：原子堆积、连接模式和压力效应

IF 3 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materialia

Pub Date : 2024-10-19 DOI: 10.1016/j.mtla.2024.102270

In this study, molecular dynamics (MD) simulations were utilized to explore the Short and Medium-Range Order (MRO) in the rapidly solidified metallic liquid tantalum (Ta). Radial distribution function (RDF) and Voronoi tessellation analysis (VTA) techniques were employed to thoroughly explore the effect of pressure on the connectivity and structural properties at the Short-Range Order (SRO) and MRO levels. Our findings indicate that, at a quenching rate of 10¹³ K s^-1, glassy states are achieved at or below 20 GPa, while crystalline phases emerge at 25 GPa. VTA analysis indicates a significant alteration in the local structure of glassy Ta with increasing pressure. Specifically, the fraction of icosahedral-like clusters decreases while the fraction of crystal-like clusters rises notably.

Furthermore, we highlight that icosahedral-like clusters strongly tend to form 3-atom connection mode, while crystal-like clusters prefer 2-atom and 4-atom connection modes. Notably, icosahedral-like clusters are identified as the primary contributors to the emergence of the left sub-peak in the second peak of the RDF. In contrast, all cluster types contribute to the appearance of the right sub-peak.

本研究利用分子动力学（MD）模拟来探索快速凝固的金属液态钽（Ta）中的短程和中程阶次（MRO）。利用径向分布函数（RDF）和沃罗诺伊方格分析（VTA）技术，在短程阶（SRO）和中程阶（MRO）水平上深入探讨了压力对连接性和结构特性的影响。我们的研究结果表明，在 1013 K s-1 的淬火速率下，玻璃态在 20 GPa 或以下实现，而结晶相在 25 GPa 出现。VTA 分析表明，随着压力的增加，玻璃态 Ta 的局部结构发生了显著变化。具体来说，二十面体团簇的比例下降，而晶体状团簇的比例显著上升。此外，我们还强调，二十面体团簇强烈倾向于形成 3 原子连接模式，而晶体状团簇则更倾向于 2 原子和 4 原子连接模式。值得注意的是，二十面体样团簇是 RDF 第二峰左侧子峰出现的主要原因。与此相反，所有类型的集群都有助于右侧子峰的出现。

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