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Harnessing Nature's Chemistry: Eco-friendly fabrication of copper, iron and silver nanoparticles for an environmental toxin biosensor 利用自然化学:环保制造铜、铁和银纳米颗粒,用于环境毒素生物传感器
Pub Date : 2026-01-13 DOI: 10.1016/j.rinma.2026.100894
Sourav Biswas , Tanvir Ahmed Monon , Bellal Hossen , Mst Jesmin Sultana , Fazle Rabbi Shakil Ahmed
This study presents a comparative analysis of the green synthesis of copper (Cu), iron (Fe), and silver (Ag) nanoparticles (NPs) using an aqueous leaf extract of Solanum sisymbriifolium as both a reducing and capping agent. The synthesized nanoparticles were characterized using several techniques. Ultraviolet–Visible (UV–Vis) spectroscopy confirmed the formation of the NPs by observing characteristic surface plasmon resonance (SPR) peaks. Fourier-transform infrared (FTIR) spectroscopy identified the functional groups in the leaf extract responsible for the reduction and stabilization of the NPs. The synthesized Cu, Fe, and Ag NPs were then evaluated for their biosensing capabilities. The results demonstrated that UV–Vis spectroscopy revealed SPR peaks at 257 nm for CuNPs and at 450 nm for both FeNPs and AgNPs, indicating successful nanoparticle formation. The presence of bioactive functional groups like phenolics, amines, and esters in nanoparticle capping was confirmed by the FTIR spectra. Biosensing assays demonstrated clear colorimetric responses for all nanoparticles upon exposure to heavy metal ions, with AgNPs exhibiting the highest sensitivity and the clearest visual distinction. FeNPs displayed selective enhancement towards ferric and lead ions, while CuNPs showed uniform responses across all tested ions. All three types of nanoparticles exhibited promising biosensing activities on heavy metal salts. The Ag NPs showed the highest sensitivity and stability, followed by Cu NPs and then Fe NPs. This study highlights the potential of using Solanum sisymbriifolium for the eco-friendly synthesis of various metal nanoparticles and their application in developing cost-effective and efficient biosensors.
本研究对绿色合成铜(Cu)、铁(Fe)和银(Ag)纳米颗粒(NPs)进行了对比分析,使用水相的龙葵叶提取物作为还原剂和封盖剂。采用多种技术对合成的纳米颗粒进行了表征。紫外可见光谱(UV-Vis)通过观察表面等离子体共振(SPR)的特征峰证实了NPs的形成。傅里叶变换红外光谱(FTIR)鉴定了叶提取物中负责还原和稳定NPs的官能团。然后对合成的Cu、Fe和Ag纳米粒子的生物传感能力进行了评估。结果表明,紫外可见光谱显示,CuNPs的SPR峰在257 nm, FeNPs和AgNPs的SPR峰在450 nm,表明纳米颗粒成功形成。FTIR光谱证实了纳米颗粒盖层中存在酚类、胺类和酯类等生物活性官能团。生物传感试验表明,暴露于重金属离子时,所有纳米颗粒都有清晰的比色反应,其中AgNPs表现出最高的灵敏度和最清晰的视觉区别。FeNPs对铁离子和铅离子表现出选择性增强,而CuNPs对所有测试离子表现出均匀的响应。这三种纳米颗粒对重金属盐均表现出良好的生物传感活性。Ag NPs的灵敏度和稳定性最高,其次是Cu NPs,其次是Fe NPs。本研究强调了利用龙葵生态合成各种金属纳米颗粒及其在开发经济高效的生物传感器方面的应用潜力。
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引用次数: 0
Chemical analysis of ion traces in the betta Ga2O3 structure and fundamentals of molecular dynamics of mobilization hydrogen and helium molecules β - Ga2O3结构中离子痕量的化学分析及氢、氦分子的分子动力学基础
Pub Date : 2026-01-12 DOI: 10.1016/j.rinma.2026.100893
Aisulu Nygymanova , Gani Yergaliuly , Bakytbek Mauyey , Rauan Turar , Kanat Makhanov , Yerzhan Tulekov , Zhanibek Kurmanaliyev , Zarif Sharipov , Gunel Imanova , I.R. Bekpulatov , Iliya Vinogradov , Matlab N. Mirzayev
In the presented work, the molecular dynamics simulation and thermal conductivity mechanism of implantation of beta Ga2O3 structure with hydrogen and helium ions with energy 100 eV were analyzed. The mechanism of the initial formation stages of gas-atom-gas clustering in the β-Ga2O3 structure by proton and helium implantation was simulated using the LAMMPS package. The thermal conductivity is anisotropic in the crystal structure, and varies depending on the crystal orientation, with the highest conductivity observed along the k(001) direction.
本文分析了能量为100 eV的氢离子和氦离子注入β - Ga2O3结构的分子动力学模拟和导热机理。利用LAMMPS模拟了质子和氦注入后β-Ga2O3结构中气-原子-气聚簇初始形成阶段的机理。晶体结构的导热系数是各向异性的,并且随晶体取向的不同而变化,沿k(001)方向观察到的导热系数最高。
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引用次数: 0
PLANT-DERIVED hybrid pigments supported on nanoclays for the sustainable colouration of polypropylene by injection moulding 植物衍生的混合颜料支持纳米粘土可持续着色聚丙烯注塑成型
Pub Date : 2026-01-12 DOI: 10.1016/j.rinma.2026.100891
Jorge Jordán-Núñez , Juan Luís Gámez , Bàrbara Micó-Vicent , Daniel López-Rodríguez , Amparo Jordá-Vilaplana
In this work, we evaluate the feasibility of plant-derived hybrid pigments such as chlorophyll and anthocyanin, supported on halloysite, for the colouration of polypropylene (PP) by injection moulding. Powder blends with mass fractions of [0.1; 2] % were prepared, and lunchbox lids were moulded on a production tool. We characterised process behaviour, dimensional stability, tensile properties, colour response, dynamic olfactometry, and DSC. The nanoclay-pigment hybrids proved processable within the studied range. Dimensional deviations remained within ±1 % with respect to PP. Strength and modulus stayed close to the PP reference, with a moderate decrease in elongation as loading increased. Regarding colour, within-part uniformity was ΔE∗ab [0.1; 0.4] for PP and [0.5; 0.9] for the hybrids, consistent with room for improved dispersion. DSC showed Tm [164.5; 165.2] °C and Xc [71; 74] % with no relevant changes. Odour concentration increased vs. PP (+31 % at 1 % chlorophyll; +72 % at 2 % anthocyanin), with no off-odour perceived by the panel. Overall, the hybrid pigments enable colouring PP by injection moulding while preserving functionality; priorities for industrial transfer are to optimise dispersion and reduce odour.
在这项工作中,我们评估了植物衍生的杂交色素,如叶绿素和花青素,在高岭土上支持,用于聚丙烯(PP)的注塑着色的可行性。质量分数为[0.1;[2] %,午餐盒盖在生产工具上成型。我们描述了过程行为,尺寸稳定性,拉伸性能,颜色响应,动态嗅觉测定和DSC。纳米粘土-颜料杂交种在研究范围内是可加工的。相对于PP,尺寸偏差保持在±1%以内。强度和模量保持在PP参考值附近,随着加载的增加,伸长率适度下降。在颜色方面,局部均匀性为ΔE * ab [0.1;PP为0.4],[0.5];0.9],这与改进分散的空间一致。DSC显示Tm [164.5];[165.2]°C和Xc [71;[74] %,无相关变化。与PP相比,气味浓度增加(在1%叶绿素时增加31%;在2%花青素时增加72%),面板没有感觉到异味。总的来说,混合颜料可以通过注射成型着色PP,同时保持功能;工业转移的重点是优化分散和减少气味。
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引用次数: 0
Microstructural and mechanical analysis of the skin/shell/core gradient structure of glass fibre- and talc-reinforced injection moulded iPP 玻璃纤维和滑石增强注射成型iPP的皮/壳/芯梯度结构的显微组织和力学分析
Pub Date : 2026-01-06 DOI: 10.1016/j.rinma.2026.100890
Meik Albrant , Felipe Porcher , Falk Rohnstock , Dietmar Auhl , Asae Ito , Ryohei Ippitsu , Koh-hei Nitta , Yusuke Hiejima
Injection moulding of filled polypropylene often results in a distinct skin–shell–core morphology, leading to heterogeneous mechanical and thermal properties across the part thickness. Characterizing the morphology of each structural region offers great potential for understanding structure–property relationships. However, this characterization presents significant challenges due to the limited thickness of each region, the gradual transitions between them, and the difficulty in isolating and characterizing their distinct morphological features. To achieve layer-resolved morphological and mechanical insight, a custom slicing method was applied to separate the skin, shell, and core regions into sections with thicknesses ranging from 100 to 200 μm. Each region was then characterized using ashing, differential scanning calorimetry (DSC), tensile testing, and optical microscopy. In this study, isotactic polypropylene filled with 30 wt.% glass fibre (PP-GF) and with 30 wt.% talc (PP-Talc) was analysed to investigate the structural and property variations within the injection moulded cross section. The shell region was identified as a key morphological feature, bridging the highly sheared and rapidly cooled skin and the more isotropic core. Notably, the skin regions of both PP-GF and PP-Talc generally exhibited the lowest mean crystallinity (29.87% and 31.91%) and lowest filler contents, 11.3% and 14.2%, respectively. Flow simulation were performed to identify the source of the heterogeneity. Simulation results revealed steep gradients in shear rate and cooling rate across the part thickness, with maximum values occurring at the skin and decreasing towards the core. These gradients directly influence filler distribution, orientation, and matrix crystallinity. The study highlights the roles of the different regions in the overall mechanical behaviour and demonstrates the importance of correlating morphology with processing conditions for improved injection moulding design and analysis.
填充聚丙烯的注塑成型通常会导致明显的皮-壳-芯形态,导致零件厚度的机械和热性能不均匀。表征每个结构区域的形态为理解结构-性质关系提供了巨大的潜力。然而,由于每个区域的厚度有限,它们之间的渐变,以及难以分离和表征其独特的形态特征,这种表征提出了重大挑战。为了获得分层的形态学和力学洞察力,采用定制的切片方法将皮肤,壳和核心区域分离成厚度为100至200 μm的切片。然后使用灰化,差示扫描量热法(DSC),拉伸测试和光学显微镜对每个区域进行表征。在这项研究中,分析了填充30wt .%玻璃纤维(PP-GF)和30wt .%滑石粉(PP-Talc)的等规聚丙烯,以研究注射成型截面内的结构和性能变化。壳区被认为是一个关键的形态特征,连接高度剪切和快速冷却的皮肤和更各向同性的核心。值得注意的是,PP-GF和PP-Talc的表皮区平均结晶度最低(29.87%和31.91%),填料含量最低(11.3%和14.2%)。通过流动模拟来确定非均质性的来源。模拟结果显示,剪切速率和冷却速率在整个零件厚度上呈陡峭的梯度,最大值出现在表面,向核心减小。这些梯度直接影响填料的分布、取向和基体的结晶度。该研究强调了不同区域在整体机械行为中的作用,并证明了将形态学与加工条件相关联对于改进注塑设计和分析的重要性。
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引用次数: 0
Effect of noble metal nanoparticles on the upconversion of NaYF4:Er,Yb 贵金属纳米颗粒对NaYF4:Er,Yb上转化的影响
Pub Date : 2026-01-03 DOI: 10.1016/j.rinma.2026.100886
T.M. Abdalkreem, H.C. Swart, R.E. Kroon
Although enhancement of up-conversion (UC) phosphors by metal nanoparticles (NPs) has been regularly reported, it is not yet easy to use the results to generalize the specific conditions leading to enhancement and there is a lack of systematic studies assessing a wide range of parameters. Therefore a prototyping mixing protocol was implemented to assess the effect of the size of gold (Au) and silver (Ag) NPs on the performance of hexagonal NaYF4:Er,Yb UC phosphor prepared by high-temperature co-precipitation, producing particles of size 22 nm in solution. Separately, Au and Ag metal NPs of 17–45 nm and 12–32 nm, respectively, were prepared using reduction methods. Solution mixing and freeze drying was used to prepare powder samples, initially with metal-to-phosphor particle ratio ∼1:50. Transmission electron microscopy was used to confirm the mixing, while X-ray diffraction patterns indicated no change in the structure of the phosphor resulting from mixing. Despite the range of metal NP sizes used, neither Au or Ag mixing resulted in enhancement. Using Au NPs of intermediate size (30 nm), lower mixing ratios to ∼1:600 were assessed, but this only resulted in quenching, which became stronger as more Au NPs were added. These results indicate that plasmonic enhancement may require quite specific conditions to achieve or that the mixing process did not facilitate the interaction conditions leading to plasmonic enhancement. Despite not achieving plasmonic enhancement, the results of this study are important to consider for the broad systematic conditions assessed as well as the novel mixing protocol used.
虽然金属纳米颗粒(NPs)对上转换(UC)荧光粉的增强已经有了定期的报道,但目前还不容易使用这些结果来概括导致增强的具体条件,并且缺乏评估大范围参数的系统研究。因此,采用原型混合方案来评估金(Au)和银(Ag) NPs的尺寸对高温共沉淀法制备的六方NaYF4:Er,Yb UC荧光粉性能的影响,并在溶液中制备出尺寸为22 nm的颗粒。分别用还原法制备了17 ~ 45 nm和12 ~ 32 nm的Au和Ag金属纳米粒子。溶液混合和冷冻干燥用于制备粉末样品,初始金属与荧光粉颗粒的比例为1:50。透射电子显微镜证实了混合的存在,x射线衍射图显示混合没有改变荧光粉的结构。尽管使用的金属NP尺寸范围,但Au或Ag的混合都没有导致增强。使用中等尺寸(30 nm)的Au NPs,评估了较低的混合比例至约1:60,但这只会导致淬火,随着Au NPs的加入,淬火变得更强。这些结果表明,等离子体增强可能需要相当特定的条件才能实现,或者混合过程不会促进导致等离子体增强的相互作用条件。尽管没有实现等离子体增强,但本研究的结果对于评估广泛的系统条件以及使用的新型混合方案来说是重要的。
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引用次数: 0
When nanoparticles hurt: A critical assessment of SiO2 and Al2O3 in cement mortar 当纳米颗粒伤害:水泥砂浆中SiO2和Al2O3的关键评估
Pub Date : 2026-01-03 DOI: 10.1016/j.rinma.2026.100887
Ali A. Salman , Mohammed Ali Abdulrehman , Ahmed Hafedh Mohammed , Hussam A. Goaiz
The combined interactive effect of SiO2 and Al2O3 nanoparticles is illustrated in this paper on the mechanical and microstructural properties of cement mortar in hot climatic conditions similar to that in Baghdad/Basra city. The aim was to investigate the effect of various doses (0–2.0 wt %) of nanoparticles with emphasis on workability, compressive and flexural strength, drying shrinkage, and thermal conductivity. In an attempt to simulate more practical results that are similar to the location characteristics, the tested specimens are further submitted to 45 °C with 40 km/h wind speeds and 30–35 % relative humidity after testing. The microstructural properties and analysis are further carried out by SEM techniques, mercury intrusion porosimetry analysis (MIP), and helium pycnometry analysis. The result shows that the lower dosages (≤1.0 wt %) of nanoparticles led to more desirable packing density and strength with lower shrinkage. At higher dosages, there is more agglomeration with higher open porosity as well as poor mechanical properties. The study determines that there exists a dosage beyond which the use of nanoparticles is more hazardous than beneficial and thus draws attention to the need to optimize such dosages with hot and windy conditions.
在类似于巴格达/巴士拉市的高温气候条件下,SiO2和Al2O3纳米颗粒对水泥砂浆力学和微观结构性能的共同作用。目的是研究不同剂量(0-2.0 wt %)纳米颗粒对可加工性、抗压和抗弯强度、干燥收缩率和导热性的影响。为了模拟更接近于位置特征的实际结果,测试后将试件进一步提交至45℃,风速40 km/h,相对湿度30 - 35%。利用扫描电镜(SEM)、压汞孔隙度分析(MIP)和氦密度分析等方法对其微观结构进行了分析。结果表明,较低的纳米颗粒用量(≤1.0 wt %)可以获得更理想的填充密度和强度,同时收缩率也较低。在较高的剂量下,有更多的团聚,更大的开孔率和力学性能差。该研究确定存在一个剂量,超过这个剂量使用纳米颗粒的危害大于益处,因此引起人们注意在炎热和多风的条件下优化这种剂量的必要性。
{"title":"When nanoparticles hurt: A critical assessment of SiO2 and Al2O3 in cement mortar","authors":"Ali A. Salman ,&nbsp;Mohammed Ali Abdulrehman ,&nbsp;Ahmed Hafedh Mohammed ,&nbsp;Hussam A. Goaiz","doi":"10.1016/j.rinma.2026.100887","DOIUrl":"10.1016/j.rinma.2026.100887","url":null,"abstract":"<div><div>The combined interactive effect of SiO<sub>2</sub> and Al<sub>2</sub>O<sub>3</sub> nanoparticles is illustrated in this paper on the mechanical and microstructural properties of cement mortar in hot climatic conditions similar to that in Baghdad/Basra city. The aim was to investigate the effect of various doses (0–2.0 wt %) of nanoparticles with emphasis on workability, compressive and flexural strength, drying shrinkage, and thermal conductivity. In an attempt to simulate more practical results that are similar to the location characteristics, the tested specimens are further submitted to 45 °C with 40 km/h wind speeds and 30–35 % relative humidity after testing. The microstructural properties and analysis are further carried out by SEM techniques, mercury intrusion porosimetry analysis (MIP), and helium pycnometry analysis. The result shows that the lower dosages (≤1.0 wt %) of nanoparticles led to more desirable packing density and strength with lower shrinkage. At higher dosages, there is more agglomeration with higher open porosity as well as poor mechanical properties. The study determines that there exists a dosage beyond which the use of nanoparticles is more hazardous than beneficial and thus draws attention to the need to optimize such dosages with hot and windy conditions.</div></div>","PeriodicalId":101087,"journal":{"name":"Results in Materials","volume":"29 ","pages":"Article 100887"},"PeriodicalIF":0.0,"publicationDate":"2026-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939044","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Study of phase constituents, microstructural evolution, tensile properties and micro-Vickers hardness of as-cast and water quenched Ti-Mo-Fe alloys 铸态和水淬态Ti-Mo-Fe合金的相组成、显微组织演变、拉伸性能和显微维氏硬度研究
Pub Date : 2026-01-02 DOI: 10.1016/j.rinma.2026.100885
Nthabiseng Abigail Moshokoa , Elizabeth Makhatha , Lerato Raganya , Nkutwane Washington Makoana , Donald Mkhonto , Maje Phasha
This study investigates phase constituents, microstructural evolution, tensile properties and micro-Vickers hardness of as-cast (AC) and water quenched (WQ) Ti-Mo-Fe alloys with varying molybdenum and iron contents. Three ternary alloys with Ti-8.6Mo-3.3Fe (TMF4), Ti-13Mo-2.2Fe (TMF5), and Ti-16.5Mo-1.1Fe (TMF6) compositions were designed from three theoretical methods, namely, electron per atom (e/a) ratio, the molybdenum equivalence (Moeq) and the Bo-Md. These alloys were cast using the arc melting furnace operating under inert atmosphere, followed by solution treatment and quenching. Different characterization techniques were used to analyse the microstructural evolution and phase constituents of the alloys XRD patterns of TMF4 and TMF5 samples in both AC and WQ conditions showed the presence of β and α″ phases whereas XRD peaks of TMF6 alloy in both conditions belonged to only β phase. Optical micrographs of all studied alloys in AC and WQ conditions showed only β equiaxed grains with different grain sizes. The EBSD phase maps of WQ TMF5 and TMF6 alloys revealed the presence of ω and β phases. It was illustrated that with an increase in β stability, the ultimate tensile strength (UTS) decreased slightly from 547 MPa to 540 MPa while elastic modulus of TMF5 and TMF6 decreased from 88 GPa to 74 GPa respectively.
研究了不同钼和铁含量的铸态(AC)和水淬态(WQ) Ti-Mo-Fe合金的相组成、显微组织演变、拉伸性能和显微维氏硬度。采用原子电子数(e/a)比、钼当量(Moeq)和Bo-Md三种理论方法,设计了Ti-8.6Mo-3.3Fe (TMF4)、Ti-13Mo-2.2Fe (TMF5)和Ti-16.5Mo-1.1Fe (TMF6)三元合金。这些合金是在惰性气氛下使用电弧熔炼炉铸造的,然后进行固溶处理和淬火。采用不同的表征技术分析了合金的显微组织演变和相组成,在AC和WQ条件下TMF4和TMF5样品的XRD谱图均显示存在β和α″相,而TMF6合金在两种条件下的XRD谱峰均属于β相。所有合金在AC和WQ条件下的光学显微图均显示出不同晶粒尺寸的β等轴晶粒。WQ TMF5和TMF6合金的EBSD相图显示存在ω和β相。结果表明,随着β稳定性的增加,TMF5和TMF6的极限抗拉强度(UTS)从547 MPa略微下降到540 MPa,而弹性模量分别从88 GPa下降到74 GPa。
{"title":"Study of phase constituents, microstructural evolution, tensile properties and micro-Vickers hardness of as-cast and water quenched Ti-Mo-Fe alloys","authors":"Nthabiseng Abigail Moshokoa ,&nbsp;Elizabeth Makhatha ,&nbsp;Lerato Raganya ,&nbsp;Nkutwane Washington Makoana ,&nbsp;Donald Mkhonto ,&nbsp;Maje Phasha","doi":"10.1016/j.rinma.2026.100885","DOIUrl":"10.1016/j.rinma.2026.100885","url":null,"abstract":"<div><div>This study investigates phase constituents, microstructural evolution, tensile properties and micro-Vickers hardness of as-cast (AC) and water quenched (WQ) Ti-Mo-Fe alloys with varying molybdenum and iron contents. Three ternary alloys with Ti-8.6Mo-3.3Fe (TMF4), Ti-13Mo-2.2Fe (TMF5), and Ti-16.5Mo-1.1Fe (TMF6) compositions were designed from three theoretical methods, namely, electron per atom (<em>e/a</em>) ratio, the molybdenum equivalence (<em>Moeq</em>) and the <em>Bo-Md</em>. These alloys were cast using the arc melting furnace operating under inert atmosphere, followed by solution treatment and quenching. Different characterization techniques were used to analyse the microstructural evolution and phase constituents of the alloys XRD patterns of TMF4 and TMF5 samples in both AC and WQ conditions showed the presence of β and α″ phases whereas XRD peaks of TMF6 alloy in both conditions belonged to only β phase. Optical micrographs of all studied alloys in AC and WQ conditions showed only β equiaxed grains with different grain sizes. The EBSD phase maps of WQ TMF5 and TMF6 alloys revealed the presence of ω and β phases. It was illustrated that with an increase in β stability, the ultimate tensile strength (UTS) decreased slightly from 547 MPa to 540 MPa while elastic modulus of TMF5 and TMF6 decreased from 88 GPa to 74 GPa respectively.</div></div>","PeriodicalId":101087,"journal":{"name":"Results in Materials","volume":"29 ","pages":"Article 100885"},"PeriodicalIF":0.0,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939072","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
DFT study of structural, mechanical, electronic, and thermoelectric properties of YNbNi2X2 (X=Si or Ge) double half-Heusler alloy YNbNi2X2 (X=Si或Ge)双半heusler合金的结构、力学、电子和热电性能的DFT研究
Pub Date : 2025-12-30 DOI: 10.1016/j.rinma.2025.100882
Job W. Wafula , George S. Manyali , John W. Makokha
This work examines the structural, mechanical, electronic, and thermoelectric characteristics of YNbNi2X2 (X = Si, Ge) double half-Heusler alloys using density functional theory (DFT) computations. Thermodynamic stability was demonstrated by formation energy estimates, and mechanical parameters show ductile behavior with good mechanical stability. YNbNi2Si2 and YNbNi2Ge2 exhibit semiconducting characteristics, with indirect band gaps of 0.51 eV and 0.56 eV, respectively. The Boltzmann transport equation is used to investigate thermoelectric properties, which yield promising Seebeck coefficients and electrical conductivities. The dimensionless figure of merit (ZT) for YNbNi2Ge2 and YNbNi2Si2 peaks at 0.85 and 0.68 at 300 K respectively. However, these values should be regarded as upper limits, as only the electronic contribution to thermal conductivity was considered, and the lattice contribution was not explicitly calculated. The figure of merit (ZT) increases with temperature suggesting that these are potential materials for energy harvesting applications at high temperature.
本文利用密度泛函理论(DFT)计算研究了YNbNi2X2 (X = Si, Ge)双半heusler合金的结构、机械、电子和热电特性。地层能量估算证明了热力学稳定性,力学参数表现出延展性,具有良好的力学稳定性。YNbNi2Si2和YNbNi2Ge2具有半导体特性,间接带隙分别为0.51 eV和0.56 eV。玻尔兹曼输运方程用于研究热电性质,从而产生有希望的塞贝克系数和电导率。在300 K时,YNbNi2Ge2和YNbNi2Si2的无因次优值(ZT)分别达到0.85和0.68。然而,这些值应被视为上限,因为只考虑了电子对导热系数的贡献,而没有明确计算晶格的贡献。优点值(ZT)随着温度的升高而增加,这表明这些材料是在高温下能量收集应用的潜在材料。
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引用次数: 0
Investigating the effect of annealing on the forming limit and mechanical properties of tri-layer copper/304L stainless steel /copper composite sheets 研究了退火对三层铜/304L不锈钢/铜复合板材成形极限和力学性能的影响
Pub Date : 2025-12-29 DOI: 10.1016/j.rinma.2025.100883
Seyed Mohammad Ali Mortazavi Moghadam, Ramin Hashemi
In addition to mechanical resistance, ductility is an essential property of multilayer metal composites. Therefore, in this study, the effect of annealing temperature (450, 600, and 750 °C) on the mechanical properties and ductility of copper/304L stainless steel/copper composite (Cu/304L/Cu) sheets produced by cold roll bonding (CRB) was investigated. The results showed that the CRB process significantly increases tensile strength and hardness, while decreasing elongation. However, due to recrystallization, the annealing treatment can moderate the effects of these changes in mechanical properties. Also, the composite's microstructure shows that at 600 °C, complete crystallization occurs in the 304L steel layer. Also, dimples in the SEM images indicate ductile fracture in the annealed samples. The dimples become deeper as the annealing temperature increases, confirming the greater formability. In addition, after plotting the forming limit diagram, it was found that the annealing heat treatment improves the ductility of the Cu/304L/Cu composite.
除了机械阻力,延展性是多层金属复合材料的基本性能。因此,在本研究中,研究了退火温度(450、600和750℃)对冷轧结合(CRB)生产的铜/304L不锈钢/铜复合材料(Cu/304L/Cu)板的力学性能和塑性的影响。结果表明:CRB工艺显著提高了合金的抗拉强度和硬度,降低了伸长率;然而,由于再结晶,退火处理可以缓和这些机械性能变化的影响。复合材料的显微组织表明,在600℃时,304L钢层发生了完全的结晶。此外,扫描电镜图像中的韧窝表明退火样品的韧性断裂。随着退火温度的升高,韧窝变深,证实了较高的成形性。此外,绘制成形极限图后,发现退火热处理提高了Cu/304L/Cu复合材料的塑性。
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引用次数: 0
Investigation of structural evolution in X2CrNiMo18-14-3 steel during initial deformation hardening X2CrNiMo18-14-3钢初始变形硬化过程中组织演变的研究
Pub Date : 2025-12-29 DOI: 10.1016/j.rinma.2025.100880
V.I. Surin , A.A. Abu Ghazal , A.I. Alwaheba
This study investigates the evolution of structural changes in the structural steel X2CrNiMo18-14-3 during the initial stage of deformation hardening at room temperature, within a tensile stress range of 150–525 MPa. Using the Scanning Contact Potentiometry (SCP) method, an electrical approach to functional non-destructive testing, we obtained experimental results that shed light on the underlying mechanisms of deformation. The analysis reveals that significant shear processes occur well before the yield strength is reached, leading to the formation of microscopic bands and the accumulation of microplastic deformation. In the elastic region, light dislocation sliding with minimal deformation hardening is initiated. As the applied load increases, particularly at stress ratios of σ/σelastic ≥ 0.34, the potentiograms exhibit an increasing number of narrow shear bands oriented perpendicular to the load direction. This phenomenon is accompanied by changes in surface conditions and deformation activity, which relate to dynamic waviness and surface roughness. As the limit of elasticity is approached, competition intensifies between the processes of strengthening and softening, leading to the development of wide shear bands and large shapes on the potentiograms. The study provides insights into the mechanisms of dislocation sliding and the interplay of deformation processes, highlighting the critical transition from microplastic deformation to yielding in structural steel. This research contributes to a deeper understanding of the mechanical behavior of steel under tensile stress and the implications for its applications in structural engineering.
本文研究了室温下,在150 ~ 525 MPa拉伸应力范围内,X2CrNiMo18-14-3结构钢变形硬化初期组织变化的演变过程。使用扫描接触电位法(SCP)方法,一种功能无损检测的电气方法,我们获得的实验结果揭示了变形的潜在机制。分析表明,在达到屈服强度之前就发生了明显的剪切过程,导致微观带的形成和微塑性变形的积累。在弹性区,开始了轻微的位错滑动,并伴有最小的变形硬化。随着外加载荷的增加,特别是当σ/σ弹性应力比≥0.34时,电位图显示出垂直于载荷方向的窄剪切带数量增加。这种现象伴随着表面条件和变形活动的变化,这些变化与动态波浪度和表面粗糙度有关。当接近弹性极限时,强化和软化过程之间的竞争加剧,导致电位图上出现宽剪切带和大形状。该研究提供了对位错滑动机制和变形过程相互作用的见解,突出了结构钢从微塑性变形到屈服的关键转变。本研究有助于更深入地了解钢在拉应力下的力学行为及其在结构工程中的应用。
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引用次数: 0
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