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Characteristics of Injection Current in p-GaSe:H+ Monocrystal Implanted with H+ Ions 注入H+离子的p-GaSe:H+单晶注入电流特性
Pub Date : 2023-05-18 DOI: 10.1142/s2811086223500048
R. Madatov, F. Ahmedov, M. A. Mamedov, S. Hajiyeva, F. N. Nurmamadova
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引用次数: 0
Design of Temperature Sensor based on One-Dimensional Photonic Crystal Containing Si-BGO layer 基于Si-BGO层一维光子晶体的温度传感器设计
Pub Date : 2023-04-21 DOI: 10.1142/s2811086223500036
S. Srivastava
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引用次数: 0
Nanoparticles Methods for Hydrophobic Drugs-A Novel Approach: Graphical Abstract 纳米颗粒方法制备疏水药物——一种新方法:图形摘要
Pub Date : 2023-04-07 DOI: 10.1142/s2811086223500024
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引用次数: 0
Experimental assessment of barely visible impact damage carbon fibre reinforced epoxy composite using ultrasound method 碳纤维增强环氧复合材料微可见冲击损伤的超声实验评估
Pub Date : 2023-02-27 DOI: 10.12688/materialsopenres.17525.1
Yee Vien Tan, W. L. Lai, H. Saeedipour, Mohd Shukry Adul Majid, K. Goh
Background: Carbon fibre reinforced epoxy (CFRP) is susceptible to impact damage which could resulted in reduction of the mechanical properties. This paper studies the architecture of barely visible impact damage (BVID) to comprehend the extent of damage on quasi-isotropic CFRP laminates of varying thickness (i.e. 16, 24 and 32-ply laminates of 3, 4 and 5 mm respectively). Methods: Quasi-static indentation is chosen to produce BVID on CFRP laminates, followed by using non-destruction evaluation method, namely conventional contact-type ultrasonic testing (UT) and C-mode scanning acoustic microscopy (C-SAM) method. Results: The findings revealed (1) the size and shapes of the BVID on CFRP laminates, (2) no damage found at the point of damage, and (3) the bridging between the point of impact to the outer damaged diameter due to the consequence of diverse orientation of carbon fibre strips which exhibit excellent mechanical properties before structural failure. Conclusions: The results concluded that the UT and C-SAM method can identify both the pristine region and the internal damaged structures in CFRP laminates.
背景:碳纤维增强环氧树脂(CFRP)容易受到冲击损伤,从而导致机械性能下降。本文研究了几乎不可见冲击损伤(BVID)的结构,以了解不同厚度的准各向同性CFRP复合材料(分别为3,4,5 mm的16、24和32层复合材料)的损伤程度。方法:选择准静态压痕在CFRP层压板上产生BVID,然后采用非破坏性评价方法,即传统的接触型超声检测(UT)和c模扫描声学显微镜(C-SAM)方法。结果:研究结果揭示了(1)碳纤维复合材料层合板的BVID的大小和形状;(2)在损伤点未发现损伤;(3)由于碳纤维条取向不同,撞击点与外损伤直径之间存在桥接,在结构破坏前表现出优异的力学性能。结论:UT和C-SAM方法可以识别CFRP复合材料的原始区域和内部损伤结构。
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引用次数: 0
Kingdom Fungi capabilities as materials for design 真菌作为设计材料的能力
Pub Date : 2023-01-31 DOI: 10.12688/materialsopenres.17473.1
C. Pérez Rodríguez, Camilo Ayala-Garcia, V. Rognoli
Background: Living organisms such as algae, bacteria, and fungi are used to construct novel materials that offer possibilities for innovation. The article aims to explore mycelial growth and analyze the necessary conditions for its development and durability showing its visual potential as a material to be included in a design project. We have explored the aesthetic and metabolic opportunities of the Fungi Kingdom for the design and production of new materials. Methods: Taking the processes that are commonly implemented in biology and by adopting them into design processes, we grow filamentous fungi and isolate them in pieces designed to show and guarantee their natural development, exposing themselves to stress variables such as temperature, humidity, and substrate, among others. Results: Perpetuity is evident after nine years of cultivation; the colonies remain in the container preserving their morphological character and the pigmentation presented from the beginning of incubation with a slight variation in the saturation of the colors. Conclusions: Depending on the species of fungi used and the stimuli applied by the designer, a wide variety of textures, shapes, and colors can be propitiated, generating new product languages and artifacts where their aesthetic qualities are maintained over time.
背景:藻类、细菌和真菌等生物体被用于构建为创新提供可能性的新型材料。本文旨在探讨菌丝的生长,并分析其发展和耐久性的必要条件,以展示其作为设计项目中材料的视觉潜力。我们为新材料的设计和生产探索了真菌王国的美学和代谢机会。方法:采用生物学中常用的过程,并将其应用于设计过程中,我们培养丝状真菌并将其分离成碎片,以展示和保证其自然发育,并将其暴露于温度,湿度和基质等压力变量中。结果:经过9年栽培,永续性明显;菌落留在容器中,保留其形态特征和从孵化开始就呈现的色素沉着,颜色饱和度略有变化。结论:根据使用的真菌种类和设计师使用的刺激物,各种各样的纹理、形状和颜色可以被调和,产生新的产品语言和人工制品,它们的美学品质可以随着时间的推移而保持。
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引用次数: 0
A novel integrated framework for reproducible formability predictions using virtual materials testing 使用虚拟材料测试可重复成形性预测的新型集成框架
Pub Date : 2023-01-31 DOI: 10.12688/materialsopenres.17516.1
Adam Plowman, P. Jedrasiak, T. Jailin, Peter Crowther, Sumeet R. Mishra, P. Shanthraj, J. Quinta da Fonseca
Background: Formed aluminium alloy sheet materials are increasingly adopted in production processes such as vehicle manufacturing, due to the potential for weight-saving and improved recyclability when compared to more traditional steel alloys. To maximise these benefits whilst maintaining sufficient mechanical properties, the link between formability and microstructure must be better understood. Virtual materials testing is a cost-effective strategy for generating microstructure-informed formability predictions. Methods: We developed an open-source hybrid framework, combining experimental and computational tasks, for generating reproducible formability predictions. Starting with experimental texture measurements and stress-strain curves, we calibrated crystal plasticity (CP) model parameters. The framework used these parameters to perform a large set of multiaxial full-field CP simulations, from which various anisotropic yield functions were fitted. With these anisotropy parameters, we then employed a Marciniak-Kuczynski finite-element model to predict forming limit curves, which we compared with those from experimental Nakazima tests. Results: We executed the workflow with the aluminium alloy Surfalex HF (AA6016A) as a case study material. The 18-parameter Barlat yield function provided the best fit, compared to six-parameter functions. Predicted forming limits depended strongly on the chosen hardening law, and good agreement with the experimental forming limit curve was found. All of the generated data have been uploaded to the Zenodo repository. A set of Jupyter notebooks to allow interactive inspection of our methods and data are also available. Conclusions: We demonstrated a robust methodology for replicable virtual materials testing, which enables cheaper and faster formability analyses. This complete workflow is encoded within a simple yet highly customisable computational pipeline that can be applied to any material. To maximise reproducibility, our approach takes care to ensure our methods and data — and the ways in which that data is processed — are unambiguously defined during all steps of the workflow.
背景:与更传统的钢合金相比,成型铝合金板材具有减轻重量和提高可回收性的潜力,因此越来越多地被用于汽车制造等生产过程。为了在保持足够的机械性能的同时最大限度地提高这些优势,必须更好地理解可成形性和微观结构之间的联系。虚拟材料测试是一种成本效益高的策略,用于生成基于微观结构的成形性预测。方法:我们开发了一个开源的混合框架,结合实验和计算任务,用于生成可重复的成形性预测。从实验织构测量和应力-应变曲线开始,我们校准了晶体塑性(CP)模型参数。该框架使用这些参数进行了一大组多轴全场CP模拟,从中拟合了各种各向异性屈服函数。利用这些各向异性参数,我们使用Marciniak Kuczynski有限元模型来预测成形极限曲线,并将其与实验Nakazima试验的结果进行了比较。结果:我们使用铝合金SurflexHF(AA6016A)作为案例研究材料执行了工作流程。与六个参数函数相比,18个参数的Barlat屈服函数提供了最佳拟合。预测的成形极限很大程度上取决于所选择的硬化规律,并且与实验成形极限曲线吻合良好。所有生成的数据都已上传到Zenodo存储库。还提供了一套Jupyter笔记本,可以对我们的方法和数据进行交互式检查。结论:我们展示了一种用于可复制虚拟材料测试的稳健方法,该方法能够进行更便宜、更快的成形性分析。这个完整的工作流程编码在一个简单但高度可定制的计算管道中,可以应用于任何材料。为了最大限度地提高再现性,我们的方法注意确保我们的方法和数据——以及处理数据的方式——在工作流程的所有步骤中都得到了明确的定义。
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引用次数: 0
Thermochemistry of Elementary Reactions in Water–Gas Shift Reaction on Ni(111): An Ab Initio Study Ni(111)上水气转换反应中元素反应的热化学:从头算研究
Pub Date : 2023-01-01 DOI: 10.1142/s281108622350005x
Neeraj Mishra, Menka Sharma
A comprehensive thermodynamic study of the water–gas shift (WGS) reaction was performed using density functional theory (DFT). Chemisorption involves the formation of new chemical bonds between adsorbed species and atoms of the substrate. Adsorbates dissociate on the metal surface because of weaker intermolecular bonds on the surface. The adsorption energies of 12 adsorbed species were calculated on Ni(111) surface. Moreover, 21 elementary reactions were considered for investigating the mechanism of water–gas shift (WGS) reaction on Ni(111). A detailed thermodynamic calculation of the WGS reaction is shown and discussed in this work. The vibrational frequencies were calculated for all the gaseous species, top surface layer atoms, and adsorbed configurations. Thermochemistry of the surface reactions was calculated using spin-paired DFT with RPBE functional for exchange and correlation. This report covers the adsorption energies, vibrational frequencies, and thermochemistry of chemical species such as H2, H2O, CO and CO2, involved in the WGS reaction, on the Ni(111) surface. Vibrational calculations were performed only on their favorable sites. Finally, the thermochemistry ([Formula: see text]E, [Formula: see text]H, [Formula: see text]S, [Formula: see text]G) of elementary reactions was calculated, and thermodynamically driven reaction mechanisms were determined for the water–gas shift reaction on Ni(111) surface. We found that thermodynamically predicted mechanisms are in good accord with the kinetic predictions and can be considered a good first approximation.
利用密度泛函理论(DFT)对水气变换反应进行了全面的热力学研究。化学吸附是指在被吸附物质和底物原子之间形成新的化学键。由于表面的分子间键较弱,吸附剂在金属表面解离。计算了12种吸附物质在Ni(111)表面的吸附能。此外,为了研究Ni(111)上水气转换(WGS)反应的机理,考虑了21种元素反应。本文给出并讨论了WGS反应的详细热力学计算。计算了所有气体种类、表层原子和吸附构型的振动频率。利用自旋配对DFT计算了表面反应的热化学性质,rbe功能为交换和相关。本文报道了WGS反应中H2、H2O、CO和CO2等化学物质在Ni(111)表面的吸附能、振动频率和热化学性质。振动计算只在它们的有利位置进行。最后,计算了元素反应的热化学([式:见文]E、[式:见文]H、[式:见文]S、[式:见文]G),确定了Ni(111)表面水气转换反应的热力学驱动反应机理。我们发现热力学预测的机制与动力学预测很好地一致,可以认为是一个很好的第一近似。
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引用次数: 0
Editorial: Making Materials Science More Open 社论:让材料科学更加开放
Pub Date : 2023-01-01 DOI: 10.1142/s281108622301001x
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引用次数: 0
Quantum Label of Organic Acid Ligands-Determined CsPbBr3 Perovskite Magic-Sized Clusters 有机酸配体测定CsPbBr3钙钛矿神奇大小团簇的量子标记
Pub Date : 2023-01-01 DOI: 10.1142/s2811086223500012
Ke Xu, Guoqiang Shi, Binbin Qian, D. Xue
A strategy for synthesizing stable, pure, and excellent luminescent perovskite magic-sized clusters (PMSCs) by optimizing ligands is proposed. The optimal ligand pair was selected from methylphosphonic acid (MPA), valeric acid (VA), and butanesulfonic acid (BA) ligands in conjunction with ethylenediamine (EDA), respectively. Through ligand-assisted reprecipitation (LAPR) method, MPA–EDA CsPbBr3 PMSCs with high photoluminescence quantum yield (PLQY) of up to [Formula: see text]72% and excellent stability were optimized. By the density of states (DOS) analysis, the differences in luminescence properties were explored to originate from Pb(6[Formula: see text]–Br(4[Formula: see text] hybridization, and the hypothesis of constructing quantum maps of functional materials based on valence electron orbital hybridization was proposed. The above results provide a reliable experimental and theoretical direction for the future application of quantum label PMSCs in the field of optoelectronic devices.
提出了一种通过优化配体来合成稳定、纯净、优异的发光钙钛矿魔术大小簇(PMSCs)的策略。分别从甲基膦酸(MPA)、戊酸(VA)和丁烷磺酸(BA)配体中筛选出与乙二胺(EDA)结合的最佳配体对。通过配体辅助再沉淀(LAPR)方法,优化得到光致发光量子产率(PLQY)高达72%且稳定性优异的MPA-EDA CsPbBr3 PMSCs。通过态密度(DOS)分析,探讨了Pb(6)[公式:见文]-Br(4][公式:见文]杂化引起的发光特性差异,并提出了基于价电子轨道杂化构建功能材料量子图的假设。上述结果为量子标记PMSCs在光电器件领域的应用提供了可靠的实验和理论方向。
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引用次数: 0
Design for sorting knitwear: Exploring blended textile wastes and the relationship between sorting, recovery, and recycled blending in yarn manufacture 针织品分拣设计:探讨混纺纺织品废料以及纱线生产中分拣、回收和再生混纺之间的关系
Pub Date : 2022-11-15 DOI: 10.12688/materialsopenres.17478.1
C. Hall, K. Goldsworthy, R. Earley
Background: The problem of difficult-to-recycle textile waste is an ongoing challenge.  One of the issues is the lack of exchange between the recovery sector and design/manufacture of recycled materials. This paper seeks to addresses the gap in knowledge between sorting (in recovery) and blending activities (in manufacture), expanding current design strategies towards textile recovery. To achieve this, the research explores sorting practices of wool/acrylic blends in the mechanical wool recycling industry and applies this knowledge to the design of new yarns. Methods: A bricolage of methods was used to conduct this research in three parts. First, an overview of a previous study by Author1 is presented from which this research builds. Second, field research using conversation methods with the owner of a closed wool recycling company was conducted centring around their material archive. Thirdly, practice research was conducted in a spinning facility where Author1 applied knowledge from part 1 and 2 by designing four recycled yarns. This was supported by interviews with a sorter and recycler to expand on the findings.   Results: Four methods of sorting and the sorting grades/thresholds that are found in the wool recycling industry are outlined, and five methods of recycled blending historically used in the wool recycling industry are established. This knowledge (sorting methods/grades and recycled blending techniques) were applied in practice and from the methods employed, the relationship between sorting in recovery and recycled blending in manufacture was established across three themes: fibre quality, fibre type and fibre colour. Conclusions: The paper concludes that understanding the link sorting and blending provides the foundations for a ‘Design for Sorting’ methodology. When lessons from each theme (quality, type and colour) are combined, this enables fibre value to be retained in recovery and thus, provides a route for longevity of our textile fibres.
背景:纺织废料难以回收的问题是一个持续的挑战。其中一个问题是回收部门与回收材料的设计/制造之间缺乏交流。本文试图解决分拣(回收中)和混合活动(制造中)之间的知识差距,扩展当前纺织品回收的设计策略。为了实现这一点,本研究探索了羊毛/丙烯酸混合物在机械羊毛回收行业中的分类实践,并将这些知识应用于新型纱线的设计。方法:采用多种方法,分三个部分进行研究。首先,对Author1之前的一项研究进行了概述,这项研究就是从中建立起来的。其次,围绕一家关闭的羊毛回收公司的材料档案,采用对话的方法进行了实地研究。第三,在纺纱厂进行了实践研究,Author1通过设计四根再生纱线,应用了第1部分和第2部分的知识。这得到了对分拣员和回收商的采访的支持,以扩大调查结果。结果:概述了羊毛回收行业中发现的四种分类方法和分类等级/阈值,并建立了羊毛回收业历史上使用的五种回收混合方法。这些知识(分类方法/等级和回收混合技术)在实践中得到了应用,从所采用的方法中,确定了回收中的分类和制造中的回收混合之间的关系,涉及三个主题:纤维质量、纤维类型和纤维颜色。结论:本文的结论是,理解链接排序和混合为“排序设计”方法提供了基础。当每一个主题(质量、类型和颜色)的经验教训结合在一起时,这使得纤维的价值能够在回收过程中得到保留,从而为我们的纺织纤维的寿命提供了一条途径。
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引用次数: 0
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Materials Open Research
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