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Obtention of Suitable Pregnant Leach Solution (PLS) for Copper Solvent Extraction Plants from Copper Concentrate Using Hydrogen Peroxide and Iodine in a Sulfuric Acid–Chloride Medium 在硫酸-氯化物介质中使用过氧化氢和碘从铜精矿中为铜溶剂萃取厂获得合适的孕浸溶液(PLS)
Pub Date : 2024-07-16 DOI: 10.3390/met14070817
M. E. Taboada, Nathalie E. Jamett, Germán A. Moraga, Pía C. Hernández, T. Graber
Copper leaching presents an environmentally friendly alternative to traditional sulfide ore processing methods. This study investigates an efficient leaching process for copper concentrate, utilizing a solution of sulfuric acid (H2SO4) and potassium iodide (KI) in a chloride medium (NaCl), enhanced by hydrogen peroxide (H2O2) at room temperature. A significant aspect of this research was optimizing the KI concentration to minimize iodide sublimation into iodine gas (I2). Through the experimental design, the optimal dosages of reagents were determined, leading to maximized copper extraction of approximately 27% in 45 min of testing at room temperature. The results showed that it is possible to obtain a suitable pregnant leach solution (PLS) (i.e., in the range of 3 to 8 g/L of Cu) for treatment in available copper solvent extraction (SX) plants with a cost of less than 4.5 USD/t Cu, according to the economic analysis carried out. The results of this study determine the most effective operational conditions for leaching and ensure a suitable PLS for SX plants in a cost-effective and environmentally friendly manner. This approach could significantly contribute to more sustainable practices in the mining and processing of copper ores.
铜浸出法是传统硫化矿加工方法的一种环保型替代方法。本研究利用硫酸 (H2SO4) 和碘化钾 (KI) 在氯化物介质 (NaCl) 中的溶液,在室温下通过过氧化氢 (H2O2) 进行强化,对铜精矿的高效浸出过程进行了研究。这项研究的一个重要方面是优化 KI 浓度,以尽量减少碘化物升华为碘气(I2)。通过实验设计,确定了试剂的最佳用量,从而在室温下进行 45 分钟的测试,最大限度地萃取了约 27% 的铜。结果表明,根据所进行的经济分析,有可能获得合适的孕浸溶液(即含铜量在 3 至 8 克/升范围内),用于现有铜溶剂萃取(SX)设备的处理,成本低于 4.5 美元/吨铜。这项研究的结果确定了最有效的浸出操作条件,并确保以经济、环保的方式为 SX 工厂提供合适的 PLS。这种方法可极大地促进铜矿开采和加工的可持续发展。
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引用次数: 0
A Study on the Optimal Powder Metallurgy Process to Obtain Suitable Material Properties of Soft Magnetic Composite Materials for Electric Vehicles 获得电动汽车用软磁复合材料合适材料特性的最佳粉末冶金工艺研究
Pub Date : 2024-07-15 DOI: 10.3390/met14070815
Seongsu Kang, Seonbong Lee
This study systematically investigates the impact of the material properties of soft magnetic composites (SMCs) on the powder metallurgy forming process. It proposes a suitable material selection process for various motor types and shapes and determines the optimal forming conditions for each SMC material. This study employed the Taguchi design method to identify key control factors such as powder type, forming temperature, and forming speed, and analyzed their effects on relative density. Simulation results indicated that AncorLam HR exhibited superior properties compared with AncorLam and Fe-6.5wt.%Si. The optimal conditions determined through signal-to-noise ratio (SNR) calculations were AncorLam HR at 60 °C and five cycles per minute (CPMs). Validation through simulation and SEM analysis confirmed improved density uniformity and reduced defects in products formed under optimal conditions. Final prototype testing demonstrated that the selected conditions achieved the target density with minimal variance, enhancing the mechanical properties and performance of the motors. These results suggest that the appropriate application of SMC materials can significantly enhance motor efficiency and reliability.
本研究系统地探讨了软磁复合材料(SMC)的材料特性对粉末冶金成形工艺的影响。它针对各种电机类型和形状提出了合适的材料选择流程,并确定了每种 SMC 材料的最佳成型条件。本研究采用田口设计法确定了粉末类型、成形温度和成形速度等关键控制因素,并分析了它们对相对密度的影响。模拟结果表明,与 AncorLam 和 Fe-6.5wt.%Si 相比,AncorLam HR 表现出更优越的性能。通过信噪比(SNR)计算确定的最佳条件是 AncorLam HR 在 60 °C 和每分钟 5 次循环(CPM)的条件下。通过模拟和 SEM 分析验证,在最佳条件下形成的产品密度更均匀,缺陷更少。最终的原型测试表明,所选条件能以最小的偏差达到目标密度,提高了电机的机械性能和性能。这些结果表明,适当应用 SMC 材料可显著提高电机的效率和可靠性。
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引用次数: 0
Influence of CAD/CAM Manufacturing Technique and Implant Abutment Angulation on Loosening of Individual Screw-Retained Implant Crowns CAD/CAM 制造技术和种植体基台角度对单个螺钉固位种植体牙冠松动的影响
Pub Date : 2024-07-15 DOI: 10.3390/met14070816
Aitana Rico-Coderch, Luis F. Félix, M. Solá-Ruíz, Michell Medina, R. Agustín-Panadero, Rocío Ortega, Rocío Cascos, Miguel Gómez-Polo
Background: Dental implant abutment screw loosening is an increasingly common problem, as evidenced by multiple studies that have investigated its causes. The objective of this study was to compare the screw loosening torque values before and after cyclic loading and to determine whether they are affected by the CAD/CAM abutment manufacturing technique (machined or laser-sintered) and abutment angulation. Materials and Methods: Ninety implants were used and divided into two groups: 45 implants received machined abutments (group A) and 45 implants received laser-sintered abutments (group B). Each group was further divided into three subgroups, with 15 implants each, based on the abutment angulation involved (0°, 15° and 20°). The abutments were tightened to the torque recommended by the manufacturer, and the reverse torque value was measured before and after cyclic loading (300,000 cycles). Data analysis was performed using one-way ANOVA and Wilcoxon signed-rank tests. Results: Statistically significant differences were observed between the laser-sintered and machined groups (p < 0.01). Additionally, differences were observed between subgroups with different angulations for both machined (16.2 ± 1.75, 14.7 ± 1.74 and 13.4 ± 1.08 Ncm) and laser-sintered abutments (14.6 ± 1.25, 12.7 ± 1.2 and 11.1 ± 1.35 Ncm) (0°, 15° and 20°, respectively). Conclusions: The final screw loosening torque after cyclic loading was lower than the initial loosening torque. Both abutment angulation and the CAD/CAM manufacturing method exerted a statistically significant influence on the final loosening torque. The abutment angulation factor was estimated to have an influence of 34.5%, while the abutment manufacturing method was estimated to have an influence of 21%.
背景:牙科种植体基台螺钉松动是一个越来越常见的问题,多项研究都对其原因进行了调查。本研究的目的是比较循环加载前后的螺钉松动扭矩值,并确定它们是否受 CAD/CAM 基台制造技术(机械加工或激光烧结)和基台角度的影响。材料和方法:使用 90 个种植体并将其分为两组:45 个种植体使用机加工基台(A 组),45 个种植体使用激光烧结基台(B 组)。根据基台角度的不同(0°、15° 和 20°),每组又分为三个亚组,每组 15 个种植体。基台按照生产商建议的扭矩拧紧,并在循环加载(300,000 次)前后测量反向扭矩值。数据分析采用单因素方差分析和 Wilcoxon 符号秩检验。结果激光烧结组和机械加工组之间存在明显的统计学差异(p < 0.01)。此外,在加工基台(16.2 ± 1.75、14.7 ± 1.74 和 13.4 ± 1.08 Ncm)和激光烧结基台(14.6 ± 1.25、12.7 ± 1.2 和 11.1 ± 1.35 Ncm)(分别为 0°、15° 和 20°)的不同角度的亚组之间也观察到了差异。结论循环加载后的最终螺钉松动扭矩低于初始松动扭矩。基台角度和 CAD/CAM 制造方法对最终松动扭矩有显著的统计学影响。基台角度因素的影响估计为 34.5%,而基台制作方法的影响估计为 21%。
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引用次数: 0
Unlocking the Potential of Sebacate: Investigating Its Role in the Inhibition of Filiform Corrosion on Organic Coated Steel 发掘癸二酸盐的潜力:研究癸二酸盐在抑制有机涂层钢丝状腐蚀中的作用
Pub Date : 2024-05-24 DOI: 10.3390/met14060623
Andrea Cristoforetti, Stefano Rossi, F. Deflorian, M. Fedel
The study investigated the effect of sebacate as a corrosion inhibitor for acrylic-coated steel. Specifically, it examined its impact on mitigating a frequent case of paint delamination, known as filiform corrosion (FFC), through a chosen weathering test designed to stress the degradation of the produced samples. Sebacate was demonstrated to be an efficient organic molecule for enhancing the corrosion resistance of steel. This efficacy was evaluated through electrochemical characterization based on electrochemical impedance spectroscopy measurements and potentiodynamic polarization curves, including the application of an FFC susceptibility prediction methodology based on measurements obtained in FFC-simulated electrolytes. An inhibition efficiency of 98% was measured in near-neutral saline solutions compared to conditions lacking inhibitor presence. During FFC simulation, the primary effect observed was associated with a reduction in cathodic activity evolution. Furthermore, a significant reduction in corrosion creep evolution of 35% was found. These experimental findings aligned closely with the outcomes projected by the simulated investigations.
这项研究调查了癸二酸盐作为丙烯酸涂层钢的缓蚀剂的效果。具体来说,研究通过一项选定的老化试验,考察了癸二酸盐对缓解一种常见的涂料脱层现象(即丝状腐蚀(FFC))的影响,该试验旨在强调所生产样品的降解。研究证明,癸二酸盐是一种有效的有机分子,可增强钢材的耐腐蚀性。通过基于电化学阻抗光谱测量和电位极化曲线的电化学表征,包括基于在 FFC 模拟电解质中获得的测量结果应用 FFC 易感性预测方法,对这种功效进行了评估。与缺乏抑制剂的条件相比,在接近中性的生理盐水溶液中测得的抑制效率为 98%。在全氟碳化物模拟过程中,观察到的主要影响与阴极活性演变的减少有关。此外,还发现腐蚀蠕变演化明显减少了 35%。这些实验结果与模拟研究预测的结果非常吻合。
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引用次数: 0
Research on Alloy Design and Process Optimization of Al–Mg–Zn-Cu-Based Aluminum Alloy Sheets for Automobiles with Secured Formability and Bake-Hardenability 确保成型性和烘烤硬化性的汽车用铝镁锌铜基合金板材的合金设计与工艺优化研究
Pub Date : 2024-05-24 DOI: 10.3390/met14060618
GyeongSeok Joo, SeungGyu Choi, YoungKil Jung, SeHoon Kim, JaeHyuck Shin
In this study, the compositional design of high-formability, high-bake-hardening Al–Mg–Zn-Cu-based aluminum alloys was carried out, and process conditions were established to secure mechanical properties under harsh conditions for Al–Mg–Zn-Cu-based alloys. Using JMatPro13.0 for precipitation phase simulation, the optimal pre-aging temperature and time of the design composition were selected. Through the introduction of pre-aging, it was confirmed that no over-aging phenomena occurred, even after bake-hardening, and it was confirmed that it could have mechanical properties similar to those of test specimens subjected to traditional heat treatment. Through DSC (Differential Scanning Calorimetry) and TEM (Transmission Electron Microscope) analyses, it was found that pre-aging provided sufficient thermal stability to the GP (Guinier–Preston) zone and facilitated transformation to the η’-phase. In addition, it was confirmed that, even under bake-hardening conditions, coarsening of the precipitation phase was prevented and number density was increased, thereby contributing to improvements in the mechanical properties. The designed alloy plate was evaluated as having excellent anisotropy properties through n-value and r¯-value calculations, and it was confirmed that a similar level of formability was secured through FLC (Forming Limit Curve) comparison with commercial plates.
本研究进行了高成形性、高烘烤硬化 Al-Mg-Zn-Cu 基铝合金的成分设计,并建立了确保 Al-Mg-Zn-Cu 基合金在苛刻条件下机械性能的工艺条件。利用 JMatPro13.0 进行沉淀相模拟,选择了设计成分的最佳预时效温度和时间。通过引入预时效,确认了即使在烘烤硬化后也不会出现过时效现象,并确认其机械性能与经过传统热处理的试样相似。通过 DSC(差示扫描量热仪)和 TEM(透射电子显微镜)分析发现,预时效为 GP(吉尼耶-普雷斯顿)区提供了足够的热稳定性,并促进了向η'相的转变。此外,研究还证实,即使在烘烤硬化条件下,也能防止析出相的粗化并增加数量密度,从而有助于改善机械性能。通过 n 值和 r'值计算,评估结果表明所设计的合金板具有优异的各向异性性能,而且通过 FLC(成型极限曲线)与商用板材的比较,证实其具有类似的成型性。
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引用次数: 0
Compositional Design and Thermal Processing of a Novel Lead-Free Cu–Zn–Al–Sn Medium Entropy Brass Alloy 新型无铅铜-锌-铝-锡中熵黄铜合金的成分设计与热加工
Pub Date : 2024-05-24 DOI: 10.3390/met14060620
Spyridon Chaskis, Stavroula Maritsa, Paul Stavroulakis, S. Papadopoulou, Russell Goodall, S. Papaefthymiou
In the current work, a novel medium entropy copper alloy was designed with the aim of avoiding the use of expensive, hazardous or scarce alloying elements and instead employing widely available and cost-effective alternatives. In order to investigate this unknown region of multicomponent alloy compositions, the thermo-physical parameters were calculated and the CALPHAD method was utilized. This led to the design of the Cu50Zn25Al20Sn5 at. % (Cu53.45Zn27.49Al9.08Sn9.98 wt. %) alloy with a relatively low density of 6.86 g/cm3 compared with conventional brasses. The designed alloy was manufactured through vacuum induction melting, producing two ingots weighing 1.2 kg each, which were subjected to a series of heat treatments. The microstructural evolution of the alloy in the as-cast and heat-treated conditions was assessed through optical and scanning electron microscopy. The hardness of the as-cast and heat-treated alloy at room temperature was also studied. The alloy was characterized by a multiphase microstructure containing a major Cu-rich (Cu–Zn–Al) matrix reinforced with a secondary Zn-rich (Zn–Cu) phase and pure Sn. In terms of mechanical properties, the developed alloy exhibited high hardness values of roughly 378 HV0.2 and 499 HV0.2 in the as-cast and heat-treated conditions, respectively.
在目前的工作中,我们设计了一种新型中熵铜合金,目的是避免使用昂贵、危险或稀缺的合金元素,而是采用可广泛获得且具有成本效益的替代品。为了研究多组分合金成分的这一未知区域,利用 CALPHAD 方法计算了热物理参数。由此设计出了 Cu50Zn25Al20Sn5 at. %(Cu53.45Zn27.49Al9.08Sn9.98 wt.%)合金,与传统黄铜相比,其密度相对较低,为 6.86 g/cm3。所设计的合金是通过真空感应熔炼制造的,生产出两块各重 1.2 千克的铸锭,并对其进行了一系列热处理。通过光学显微镜和扫描电子显微镜评估了合金在铸造和热处理条件下的微观结构演变。此外,还研究了铸造和热处理合金在室温下的硬度。该合金的特点是具有多相微观结构,其中包含主要的富铜(Cu-Zn-Al)基体和次要的富锌(Zn-Cu)相以及纯锡。在机械性能方面,所开发的合金在铸造和热处理条件下分别表现出约 378 HV0.2 和 499 HV0.2 的高硬度值。
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引用次数: 0
Die Casting of Lightweight Thin Fin Heat Sink Using Al-25%Si 使用 Al-25%Si 压铸轻质薄翅片散热器
Pub Date : 2024-05-24 DOI: 10.3390/met14060622
Toshio Haga, H. Fuse
The demand for lightweight and cost-effective heat sinks is increasing. A typical method for economically manufacturing complex-shape heat sinks is die casting. To reduce the weight of the die-cast heat sinks, thinning the fins and base is common practice. We experimented with casting heat sinks using Al-25%Si in a conventional die casting machine with the aim of economically producing thinner fins and bases. Compared with the aluminum alloy used in conventional die casting, Al-25%Si has superior fluidity, which is proven to be very useful for reducing the thickness of the fins and base. As a result, we successfully reduced the heat sink weight using Al-25%Si and a conventional die casting machine. To investigate the properties of the produced Al-25%Si thin fin heat sink, we compared the effects of fin thickness, fin height, number of fins, and base thickness on heat dissipation and weight reduction. Additionally, we compared the weight and heat dissipation properties with those of a commercial heat sink and found that our Al-25%Si heat sink maintains the same heat dissipation performance but for 35% lower weight.
对重量轻、成本低的散热片的需求与日俱增。经济地制造复杂形状散热器的典型方法是压铸。为了减轻压铸散热器的重量,通常的做法是将散热片和底座减薄。我们尝试在传统压铸机中使用 Al-25%Si 铸造散热器,目的是经济地生产出更薄的散热片和底座。与传统压铸中使用的铝合金相比,Al-25%Si 具有优异的流动性,这对于减薄鳍片和底座的厚度非常有用。因此,我们使用 Al-25%Si 和传统压铸机成功地减轻了散热器的重量。为了研究生产出的 Al-25%Si 薄鳍散热器的性能,我们比较了鳍片厚度、鳍片高度、鳍片数量和基座厚度对散热和减重的影响。此外,我们还将重量和散热性能与商用散热器进行了比较,发现我们的铝-25% 硅散热器保持了相同的散热性能,但重量减轻了 35%。
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引用次数: 0
Review on Environmentally Assisted Static and Fatigue Cracking of Al-Mg-Si-(Cu) Alloys 铝镁锡铜合金环境辅助静态和疲劳开裂综述
Pub Date : 2024-05-24 DOI: 10.3390/met14060621
Tetiana Avramenko, Silvain Michel, Jan Kollender, Iurii Burda, Ulrik Hans, Christian Affolter
This paper reviews the relevant literature and covers the main aspects of the environmentally assisted cracking of Al-Mg-Si-(Cu) alloys. Apart from a brief overview of the major microstructural and mechanical properties, it presents research results on the corrosion sensitivity and stress corrosion susceptibility of Al-Mg-Si alloys. Possible mechanisms of stress corrosion cracking and corrosion fatigue in aluminum alloys, such as anodic dissolution and/or interaction with hydrogen, are considered. A number of factors, including atmospheric or solution conditions, applied stress, and material properties, can affect these mechanisms, leading to environmentally assisted cracking. Specific attention is given to Al-Mg-Si alloys with copper, which may increase the sensitivity to intergranular corrosion. The susceptibility to both intergranular corrosion and stress corrosion cracking of Cu-containing Al-Mg-Si alloys is mostly associated with a very thin layer (segregation) of Cu on the grain boundaries. However, the effect of Cu on the corrosion fatigue and fatigue crack growth rate of Al-Mg-Si alloys has received limited attention in the literature. At the current state of the research, it has not yet been holistically assessed, although a few studies have shown that a certain content of copper can improve the resistance of aluminum alloys to the environment with regard to corrosion fatigue. Furthermore, considerations of the synergistic actions of various factors remain essential for further studying environmentally assisted cracking phenomena in aluminum alloys.
本文对相关文献进行了综述,涵盖了铝-镁-硅(铜)合金环境辅助开裂的主要方面。除了简要概述主要的微观结构和机械性能外,本文还介绍了有关铝镁硅合金腐蚀敏感性和应力腐蚀敏感性的研究成果。研究考虑了铝合金应力腐蚀开裂和腐蚀疲劳的可能机制,如阳极溶解和/或与氢的相互作用。包括大气或溶液条件、应用应力和材料特性在内的许多因素都会影响这些机制,从而导致环境辅助开裂。本文特别关注了含铜的铝镁硅合金,因为铜可能会增加晶间腐蚀的敏感性。含铜铝镁硅合金的晶间腐蚀和应力腐蚀开裂敏感性主要与晶界上非常薄的一层铜(偏析)有关。然而,Cu 对 Al-Mg-Si 合金腐蚀疲劳和疲劳裂纹增长速度的影响在文献中受到的关注有限。尽管有一些研究表明,一定含量的铜可以提高铝合金在腐蚀疲劳方面的耐环境性,但就目前的研究现状而言,尚未对其进行全面评估。此外,考虑各种因素的协同作用对于进一步研究铝合金的环境辅助开裂现象仍然至关重要。
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引用次数: 0
Advanced FEM Insights into Pressure-Assisted Warm Single-Point Incremental Forming of Ti-6Al-4V Titanium Alloy Sheet Metal 对 Ti-6Al-4V 钛合金板材的压力辅助型单点增量式热成型的高级有限元深入研究
Pub Date : 2024-05-24 DOI: 10.3390/met14060619
Tomasz Trzepieciński, Marcin Szpunar, Robert Ostrowski, Waldemar Ziaja, M. Motyka
This study employs the finite element (FE) method to analyze the Incremental Sheet Forming (ISF) process of Ti-6Al-4V titanium alloy. The numerical modeling of pressure-assisted warm forming of Ti-6Al-4V sheets with combined oil-heating and friction stir rotation-assisted heating of the workpiece is presented in this article. The thermo-mechanical FE-based numerical model took into account the characteristics of the mechanical properties of the sheet along with the temperature. The experimental conditions were replicated in FEM simulations conducted in Abaqus/Explicit, which incorporated boundary conditions and evaluated various mesh sizes for enhanced accuracy and efficiency. The simulation outcomes were compared with actual experimental results to validate the FE-based model’s predictive capacity. The maximum temperature of the tool measured using infrared camera was approximately 326 °C. Different mesh sizes were considered. The results of FEM modeling were experimentally validated based on axial forming force and thickness distribution measured using the ARGUS optical measuring system for non-contact acquisition of deformations. The greatest agreement between FEM results and the experimental result of the axial component of forming force was obtained for finite elements with a size of 1 mm. The maximum values of the axial component of forming force determined experimentally and numerically differ by approximately 8%. The variations of the forming force components and thickness distribution predicted by FEM are in good agreement with experimental measurements. The numerical model overestimated the wall thickness with an error of approximately 5%. By focusing on the heating techniques applied to Ti-6Al-4V titanium alloy sheet, this comparative analysis underlines the adaptability and precision of numerical analysis applied in modeling advanced manufacturing processes.
本研究采用有限元(FE)方法分析了 Ti-6Al-4V 钛合金的增量薄板成形(ISF)工艺。本文介绍了 Ti-6Al-4V 板材压力辅助温成型的数值建模,并结合了工件的油加热和摩擦搅拌旋转辅助加热。基于热机械 FE 的数值模型考虑了板材的机械特性和温度特性。在 Abaqus/Explicit 中进行的有限元模拟复制了实验条件,其中包含边界条件,并评估了各种网格尺寸,以提高精度和效率。模拟结果与实际实验结果进行了比较,以验证基于有限元模型的预测能力。使用红外摄像机测量的工具最高温度约为 326 °C。考虑了不同的网格尺寸。使用 ARGUS 光学测量系统测量轴向成形力和厚度分布,以非接触方式获取变形,从而对有限元模型的结果进行了实验验证。有限元尺寸为 1 毫米时,成形力轴向分量的有限元计算结果与实验结果的一致性最高。实验和数值确定的成形力轴向分量最大值相差约 8%。有限元预测的成形力分量变化和厚度分布与实验测量结果十分吻合。数值模型高估了壁厚,误差约为 5%。通过重点分析 Ti-6Al-4V 钛合金板材的加热技术,该对比分析凸显了数值分析在先进制造工艺建模中的适应性和精确性。
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引用次数: 0
Efficient Implementation of the Binary Common Neighbor Analysis for Platinum-Based Intermetallics 铂基金属间化合物二元共邻分析的高效实现
Pub Date : 2024-05-23 DOI: 10.3390/met14060614
Wenming Tang, Xianxian Zhang, Jianfeng Tang, Xingming Zhang, Liang Wang, Wangyu Hu, Lei Deng
The common neighbor analysis (CNA) for binary systems is a powerful method used to identify chemical ordering in intermetallics by unique indices. The capability of binary CNA, however, is largely restricted by the availability of indices for various ordered phases. In this study, CNA indices of 11 ordered phases derived from a face-centered cubic structure were introduced on a case-by-case basis. These phases, common in intermetallics containing platinum-group metals, include C11b, MoPt2, C6, B11, AgZr, A2B2[111], A2B2[113], Pt3Tc, A3B[011], A3B[111], and A3B[113]. The chemical order in static chemical perturbation, dynamic phase competition, and experimentally reconstructed nanophase alloys were identified using binary CNA. The results indicated that the proposed version of binary CNA exhibited significantly higher accuracy and robustness compared to the short-range order, polyhedral template matching, and the original binary CNA method. Benchmarked against available methods, the formation, decomposition, and competition of specifically ordered phases in bulks and nanoalloys were well reflected by present CNA, highlighting its potential as a robust and widely adopted tool for deciphering chemical ordering at the atomic level.
二元体系的共邻分析(CNA)是一种强大的方法,用于通过独特的指数识别金属间化合物中的化学有序性。然而,二元 CNA 的能力在很大程度上受到各种有序相指数可用性的限制。在本研究中,逐一引入了由面心立方结构衍生的 11 种有序相的 CNA 指数。这些相常见于含铂族金属的金属间化合物,包括 C11b、MoPt2、C6、B11、AgZr、A2B2[111]、A2B2[113]、Pt3Tc、A3B[011]、A3B[111]和 A3B[113]。利用二元 CNA 确定了静态化学扰动、动态相竞争和实验重建的纳米相合金中的化学顺序。结果表明,与短程秩、多面体模板匹配和原始二元 CNA 方法相比,所提出的二元 CNA 具有更高的准确性和鲁棒性。以现有方法为基准,本 CNA 很好地反映了块体和纳米合金中特定有序相的形成、分解和竞争,突出了其作为一种在原子水平上解密化学有序的稳健而广泛采用的工具的潜力。
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引用次数: 0
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Metals
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