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Microstructure evolution and interdiffusion behaviour of Cr/Mo coated Zr-4 alloys at 1330 °C-1500 °C 1330 ℃-1500 ℃下铬/钼涂层 Zr-4 合金的微观结构演变和相互扩散行为
IF 3.8 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1016/j.mtcomm.2024.110328
Qingsong Chen, Qing Li, Xiong Jiang, Xi Zhou, Xifan Ding, Maolin Zhao, Jijun Yang, Jun Yi, Chunhai Liu
The Cr and Cr/Mo coated Zr-4 alloys were deposited using magnetron sputtering deposition, and their microstructure evolution and interdiffusion behaviour were investigated. High-temperature diffusion tests revealed that the Cr-Zr eutectic reaction caused the performance of the Cr coating to drastically decline at 1330 °C, while the Cr/Mo coating was effective in preventing Cr-Zr interdiffusion even at 1400 ℃. Notably, the potential impact of the Mo-Zr diffusion layer formation on the service performance of the coatings should be considered. However, the Mo interlayer lost its blocking effect at 1500 ℃, led to severe deformation of the Zr-4 alloy. In addition, the diffusion mechanism was discussed.
采用磁控溅射沉积法沉积了铬和铬/钼涂层 Zr-4 合金,并研究了它们的微观结构演变和相互扩散行为。高温扩散试验表明,铬-锌共晶反应导致铬涂层的性能在 1330 ℃ 时急剧下降,而铬/钼涂层即使在 1400 ℃ 时也能有效防止铬-锌相互扩散。值得注意的是,应考虑 Mo-Zr 扩散层的形成对涂层使用性能的潜在影响。然而,Mo 中间层在 1500 ℃ 时失去了阻挡作用,导致 Zr-4 合金严重变形。此外,还讨论了扩散机制。
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引用次数: 0
High-fidelity prediction of forming quality for self-piercing riveted joints in aluminum alloy based on machine learning 基于机器学习的铝合金自冲铆接成型质量高保真预测
IF 3.8 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1016/j.mtcomm.2024.110319
Qingjun Wu, Yang Liu, Yilin Dai, Hao Guo, Yuqi Wang, Weimin Zhuang
The effect of rivet length and sheet thickness on the cross-sectional formation and tensile-shear performance of self-piercing riveted joints in AA5754 aluminum alloy was examined through experimental investigation. The influence degree of joining parameters on the forming quality was analyzed. It was revealed that rivet length and sheet thickness are pivotal factors influencing the tensile-shear strength of the joint, culminating in the identification of four optimal riveting process schemes:Lhh、Lhh、Lhh and Lhh. A simulation model for self-piercing riveting was established, employing the GISSMO failure model and the modified Mohr-Coulomb (MMC) failure criteria to predict the damage and fracture of the aluminum alloy. A plethora of high-quality datasets depicting the cross-sections of the joints were derived from simulation analysis. Subsequently, the structure and hyperparameter determination method of traditional neural network prediction models were elucidated. By amalgamating the Aquila Optimization (AO) algorithm with the African Vultures Optimization Algorithm (AVOA), a hybrid optimization algorithm model known as MIC_AOAVOA was developed. This model effectively harnesses the strengths of various algorithms to augment search efficiency and optimization capabilities. Strategies for population initialization and adaptive weight adjustments were incorporated to enhance the algorithm's convergence velocity and the quality of solutions. The cauchy opposition-based learning (COBL) and fitness-distance balance (FDB) strategy further refined the composite algorithm, bolstering its global search capabilities and population diversity. Comparative analyses were performed with single algorithm models and traditional BP neural network models, with an in-depth examination of the MIC_AOAVOA_BP model's prediction outcomes. Comprehensive evaluations utilizing error statistics and composite evaluation indicators demonstrated that the model consistently achieved mean absolute percentage error (MAPE) values below 10 %, correlation coefficients (R²) exceeding 0.98, and stable mean squared error (MSE) values around 0.0002 across the prediction of three metrics. These results underscore the model's high precision and stability. Consequently, the proposed enhanced model offers a solution that is more stable, accurate, and robust for the prediction of forming quality in self-piercing riveted joints within engineering applications.
通过实验研究了铆钉长度和板材厚度对 AA5754 铝合金自冲铆接接头截面成形和拉伸剪切性能的影响。分析了连接参数对成形质量的影响程度。结果表明,铆钉长度和板材厚度是影响接头拉伸剪切强度的关键因素,并最终确定了四种最佳铆接工艺方案:Lhh、Lhh、Lhh 和 Lhh。利用 GISSMO 失效模型和修正的莫尔-库仑(MMC)失效准则,建立了自冲铆接模拟模型,以预测铝合金的损伤和断裂。通过模拟分析得出了大量描述接头横截面的高质量数据集。随后,阐明了传统神经网络预测模型的结构和超参数确定方法。通过将 Aquila 优化算法(AO)与非洲秃鹫优化算法(AVOA)相结合,开发出一种混合优化算法模型,即 MIC_AOAVOA。该模型有效利用了各种算法的优势,提高了搜索效率和优化能力。为了提高算法的收敛速度和解决方案的质量,该模型采用了种群初始化和自适应权重调整策略。基于考奇对立的学习(COBL)和适应性-距离平衡(FDB)策略进一步完善了复合算法,增强了其全局搜索能力和种群多样性。与单一算法模型和传统 BP 神经网络模型进行了比较分析,并深入研究了 MIC_OAAVOA_BP 模型的预测结果。利用误差统计和综合评估指标进行的综合评估表明,该模型在三个指标的预测中始终达到低于 10% 的平均绝对百分比误差 (MAPE)值、超过 0.98 的相关系数 (R²),以及稳定的 0.0002 左右的均方误差 (MSE)值。这些结果凸显了模型的高精度和稳定性。因此,所提出的增强型模型为工程应用中自冲铆接接头成形质量的预测提供了一种更稳定、更准确、更稳健的解决方案。
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引用次数: 0
Electrospun herbal extract-loaded poly (3-hydroxy butyric acid-co-3-hydroxy valeric acid) nanofiber mats as potential wound dressing materials 电纺草药提取物负载聚(3-羟基丁酸-3-羟基戊酸)纳米纤维毡作为潜在的伤口敷料材料
IF 3.8 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1016/j.mtcomm.2024.110300
Yafei Wang, Qi Meng, Yiran Li, Shaojuan Chen, Shaohua Wu
Electrospun nanofiber mats have aroused intensive attraction for the design and development of innovative wound dressing materials, due to their high specific surface area and porosity, great air permeability, and excellent extracellular matrix (ECM) imitativeness. In this study, piezoelectric poly (3-hydroxy butyric acid-co-3-hydroxy valeric acid) (PHBV) was electrospun into nanofibers, and two different concentrations of herbal extract, Salvia miltiorrhiza Bunge-Radix Puerariae herbal compound (SRHC), were loaded into PHBV nanofibers during the electrospinning process for constructing novel wound dressings with multiple functions. All the generated PHBV mats loading with or without SRHC were observed to be constructed with randomly oriented nanofibers with the diameters ranging from 200 nm to 900 nm, and the mean fiber diameter and mean pore size presented an increased trend with the addition of SRHC. The average fiber diameter and mean pore size of PHBV nanofiber mat loading with 5 % SRHC was determined to be 649.6±242.1 nm and 2.1±0.4 μm, respectively. The addition of SRHC was found to significantly enhance the surface hydrophilicity of as-generated PHBV nanofiber mats that was changed to be hydrophilic from hydrophobic, while maintain the high mechanical properties and piezoelectric properties originated from the main polymer, i.e., PHBV. Importantly, all the nanofiber mats exhibited great biological properties, and the nanofiber mat with high SRHC content was demonstrated to significantly improve the anti-oxidant and anti-inflammatory performances, as well as promote the adhesion and proliferation of human dermal fibroblasts. The present studies demonstrated pronounced advantages of SRHC-PHBV-5 % nanofiber mats to be used as potential wound dressing materials for the wound treatment.
电纺纳米纤维毡具有高比表面积和孔隙率、良好的透气性和优异的细胞外基质(ECM)仿真性,因此在创新伤口敷料材料的设计和开发中引起了广泛关注。本研究将压电聚(3-羟基丁酸-3-羟基戊酸)(PHBV)电纺成纳米纤维,并在电纺过程中将两种不同浓度的中草药提取物--丹参-葛根中草药复合物(SRHC)负载到 PHBV 纳米纤维中,以构建具有多种功能的新型伤口敷料。所有添加或未添加 SRHC 的 PHBV 纤维毡都是随机取向的纳米纤维,直径在 200 nm 至 900 nm 之间,且平均纤维直径和平均孔径随着 SRHC 的添加呈上升趋势。添加 5% SRHC 的 PHBV 纳米纤维毡的平均纤维直径和平均孔径分别为 649.6±242.1 nm 和 2.1±0.4 μm。研究发现,添加 SRHC 后,生成的 PHBV 纳米纤维毡的表面亲水性显著增强,从疏水性变为亲水性,同时保持了主要聚合物(即 PHBV)的高机械性能和压电性能。重要的是,所有纳米纤维毡都具有很好的生物特性,SRHC 含量高的纳米纤维毡能显著提高抗氧化和抗炎性能,并能促进人体真皮成纤维细胞的粘附和增殖。本研究表明,SRHC-PHBV-5% 纳米纤维毡具有明显的优势,可作为潜在的伤口敷料材料用于伤口治疗。
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引用次数: 0
Investigation of the effect of electrodeposited Cu from graphite wrapped in polypyrrole film formed by chemical oxidation 研究化学氧化法形成的聚吡咯薄膜包裹的石墨电沉积铜的影响
IF 3.8 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1016/j.mtcomm.2024.110322
Jiujuan Li, Genshuo Wen, Wei He, Yan Hong, Shouxu Wang, Guoyun Zhou, Chong Wang, Binbin Zhang, Haili Huang, Qinhua Li, Renhui Zhang
The metallization of graphite substrates is currently confronted by negative issues including insufficient adhesion and inherent instability. In an effort to surmount these challenges, a layer of conductive polypyrrole (PPy) film on a graphite surface is formed through simple polymerization, followed by an electroplating copper layer. The graphite enveloped by the PPy film, subjected to cyclic voltammetry (CV) and linear sweep voltammetry (LSV) analyses, demonstrates enhanced electrochemical activity and thus renders the more efficient electrodeposition of copper. Further investigation was conducted through orthogonal experiments to explore the optimal formulation of electroplating solutions containing popular additives including 3, 3′-dithiobis-1-propanesulfonic acid disodium salt (SPS), Janus Green B (JGB), and polyethylene glycol 8000 (PEG8000)., According to the optimal additive formulation, a dense copper layer with superior adhesion was electroplated on the graphite substrate employing PPy as an intermediate layer.
石墨基底的金属化目前面临着附着力不足和固有不稳定性等负面问题。为了克服这些难题,我们通过简单的聚合反应在石墨表面形成一层导电聚吡咯(PPy)薄膜,然后再电镀一层铜。在循环伏安法(CV)和线性扫描伏安法(LSV)分析中,被 PPy 膜包裹的石墨显示出更强的电化学活性,从而提高了铜的电沉积效率。通过正交实验进一步研究了含有常用添加剂(包括 3,3′-二硫代双-1-丙磺酸二钠盐(SPS)、Janus Green B(JGB)和聚乙二醇 8000(PEG8000))的电镀溶液的最佳配方。
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引用次数: 0
Influence of Zr addition on the microstructure, mechanical and electrical properties of Mo-Cu alloy 添加 Zr 对 Mo-Cu 合金微观结构、机械和电气性能的影响
IF 3.8 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1016/j.mtcomm.2024.110307
He Zhang, Guo-Hua Zhang
In order to strengthen the overall properties of Mo-Cu alloy, Zr was added to Mo-Cu alloy to enhance the bond strength of Mo/Cu interface and form solid solution strengthening effect. The excellent properties of Mo-Cu-Zr blocks were attained through infiltrating Cu-Zr blocks containing various Zr contents into the Mo skeleton. Compared to the incoherent interface of Mo/Cu in Mo-Cu block, the addition of Zr changed its interface to the coherent interface of Mo-Zr/Cu-Zr. All Mo-Cu-Zr alloy blocks possessed high densification degrees (97.1 %∼98.4 %) to assure the excellent general properties. Besides, the formations of Mo-Zr and Cu-Zr solid solutions assured the block owned excellent mechanical strength. Especially, the addition of Zr purified the grain boundary through absorbing oxygen to produce ZrO which prevented the Mo-Zr grain growth. As increasing Zr amount from 0 to 4.73 wt%, the Mo-Zr (or Mo) grain size reduced from 5 to 4.0 μm. Mo-Cu sintered sample containing 2.40 wt% Zr possessed the highest tension strength of 494 MPa. Besides, since the finer grain size of Mo-Zr alloy, this block also owned the highest micro-hardness (250 HV) and bending strength (1626 MPa), respectively. But, the generations of Cu-Zr solid-solution and ZrO also damaged the electrical conductivities to a certain extent. Specifically, as the addition amount of zirconium increased from 0 to 2.40 wt%, the conductivity decreased from 42.67 % to 32.15 %IACS.
为了增强 Mo-Cu 合金的整体性能,在 Mo-Cu 合金中加入了 Zr,以增强 Mo/Cu 界面的结合强度,形成固溶强化效应。通过在 Mo 骨架中渗入不同 Zr 含量的 Cu-Zr 块,Mo-Cu-Zr 块获得了优异的性能。与 Mo-Cu 块中不一致的 Mo/Cu 界面相比,Zr 的加入使其界面变成了 Mo-Zr/Cu-Zr 的一致界面。所有 Mo-Cu-Zr 合金块体都具有很高的致密性(97.1%∼98.4%),从而保证了其优异的综合性能。此外,Mo-Zr 和 Cu-Zr 固溶体的形成也确保了合金块具有优异的机械强度。特别是,Zr 的加入通过吸收氧气生成 ZrO 来净化晶界,从而阻止了 Mo-Zr 晶粒的生长。随着 Zr 含量从 0 wt% 增加到 4.73 wt%,Mo-Zr(或 Mo)晶粒尺寸从 5 μm 减小到 4.0 μm。含 2.40 wt% Zr 的 Mo-Cu 烧结样品具有最高的拉伸强度(494 兆帕)。此外,由于 Mo-Zr 合金的晶粒尺寸更细,因此该合金块的显微硬度(250 HV)和弯曲强度(1626 MPa)也分别最高。但是,Cu-Zr 固溶体和 ZrO 的生成也在一定程度上破坏了导电性。具体来说,随着锆的添加量从 0 wt% 增加到 2.40 wt%,导电率从 42.67 %IACS 下降到 32.15 %。
{"title":"Influence of Zr addition on the microstructure, mechanical and electrical properties of Mo-Cu alloy","authors":"He Zhang, Guo-Hua Zhang","doi":"10.1016/j.mtcomm.2024.110307","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110307","url":null,"abstract":"In order to strengthen the overall properties of Mo-Cu alloy, Zr was added to Mo-Cu alloy to enhance the bond strength of Mo/Cu interface and form solid solution strengthening effect. The excellent properties of Mo-Cu-Zr blocks were attained through infiltrating Cu-Zr blocks containing various Zr contents into the Mo skeleton. Compared to the incoherent interface of Mo/Cu in Mo-Cu block, the addition of Zr changed its interface to the coherent interface of Mo-Zr/Cu-Zr. All Mo-Cu-Zr alloy blocks possessed high densification degrees (97.1 %∼98.4 %) to assure the excellent general properties. Besides, the formations of Mo-Zr and Cu-Zr solid solutions assured the block owned excellent mechanical strength. Especially, the addition of Zr purified the grain boundary through absorbing oxygen to produce ZrO which prevented the Mo-Zr grain growth. As increasing Zr amount from 0 to 4.73 wt%, the Mo-Zr (or Mo) grain size reduced from 5 to 4.0 μm. Mo-Cu sintered sample containing 2.40 wt% Zr possessed the highest tension strength of 494 MPa. Besides, since the finer grain size of Mo-Zr alloy, this block also owned the highest micro-hardness (250 HV) and bending strength (1626 MPa), respectively. But, the generations of Cu-Zr solid-solution and ZrO also damaged the electrical conductivities to a certain extent. Specifically, as the addition amount of zirconium increased from 0 to 2.40 wt%, the conductivity decreased from 42.67 % to 32.15 %IACS.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"23 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142193553","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Advances in upconversion nanomaterials for tumor phototherapy 用于肿瘤光疗的上转换纳米材料的研究进展
IF 3.8 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1016/j.mtcomm.2024.110301
Shunuo Bian, Wenqiang Lu, Lin Zhou, Tao Jin
Tumor is the main cause of death in human diseases, and the related research on tumor treatment is imminent. Phototherapy can achieve precise positioning and targeted removal of tumors in a non-invasive and minimally invasive manner, which has great potential for clinical application. Upconversion nanoparticles(UCNPs) can not only solve the problem of limited eradication of deep tissue tumors in current phototherapy, but also have the advantages of good stability, long life span and low biotoxicity. This article reviews the basic research status of phototherapy and the mechanism and application progress of UCNPs nanocomposites in phototherapy. This review focuses on the structure and composition regulation methods of UCNPs nanocomposites, which provides key points and solutions for the application design of UCNPs nanocomposites in phototherapy, and prospects the research and development in this field.
肿瘤是人类疾病的主要致死原因,肿瘤治疗的相关研究迫在眉睫。光疗能以无创、微创的方式实现肿瘤的精确定位和靶向清除,具有巨大的临床应用潜力。上转换纳米粒子(UCNPs)不仅可以解决目前光疗对深部组织肿瘤根除有限的问题,还具有稳定性好、寿命长、生物毒性低等优点。本文综述了光疗的基础研究现状以及 UCNPs 纳米复合材料在光疗中的作用机理和应用进展。综述重点介绍了 UCNPs 纳米复合材料的结构和组成调控方法,为 UCNPs 纳米复合材料在光疗中的应用设计提供了关键点和解决方案,并对该领域的研究和发展进行了展望。
{"title":"Advances in upconversion nanomaterials for tumor phototherapy","authors":"Shunuo Bian, Wenqiang Lu, Lin Zhou, Tao Jin","doi":"10.1016/j.mtcomm.2024.110301","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110301","url":null,"abstract":"Tumor is the main cause of death in human diseases, and the related research on tumor treatment is imminent. Phototherapy can achieve precise positioning and targeted removal of tumors in a non-invasive and minimally invasive manner, which has great potential for clinical application. Upconversion nanoparticles(UCNPs) can not only solve the problem of limited eradication of deep tissue tumors in current phototherapy, but also have the advantages of good stability, long life span and low biotoxicity. This article reviews the basic research status of phototherapy and the mechanism and application progress of UCNPs nanocomposites in phototherapy. This review focuses on the structure and composition regulation methods of UCNPs nanocomposites, which provides key points and solutions for the application design of UCNPs nanocomposites in phototherapy, and prospects the research and development in this field.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"25 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142193564","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Salt-frost damage characterization of simulant multiple ITZs in nano-silica modified recycled aggregate concrete 纳米二氧化硅改性再生骨料混凝土中模拟多重 ITZ 的盐冻破坏特性分析
IF 3.8 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1016/j.mtcomm.2024.110296
Hongrui Zhang, Haidong Xu, Jiuwen Bao, Ran Li, Qiang Song, Jianwei Sun, Ling Qin
The salt-frost damage characterization of multiple interfacial transition zones (ITZs) is one of the major concerns for further exploring the durability-related properties of recycled aggregate concrete (RAC) exposed to cold region. The actual service state of RAC structures is often coupled with multiple environments, leading to more complex freeze-thaw damage mechanisms in ITZs. This study adopted the simulant multiple ITZs of RAC specimens to investigate the damage evolution behavior of ITZs performance under the coupling actions of salt-frost cycles (SFT) and sustained compression loads. Effect of nano-silica (NS) and air-entraining agent (AE) on the salt-frost resistance strengthening for ITZs inside RAC was further explored. The apparent morphology and the relative dynamic elastic modulus (RDEM) of modified simulant multiple ITZs of RAC were measured to characterize the salt frost damage, and further the microstructural analysis including microhardness, laser scanning microscope (LSM) and SEM observation was conducted, aiming at revealing the salt-frost damage mechanisms of simulant modified ITZs inside RAC. The results indicate that the appropriate dosage of NS and AE could effectively reduce the salt-frost scaling of RAC by strengthening the internal microstructures. The RDEM of NS-modified RAC samples incorporating with AE was always higher than NS-modified RAC and non-modified RAC. After NS-modified, the minimum microhardness of old ITZs was increased by 10.2 % and the thickness was averagely reduced by about 10μm. The microhardness loss of modified RAC after SFT was relatively smaller. On the contrary, applying loading with higher compressive stress level markedly accelerates the salt-frost damage process of non-modified and modified ITZs. The results of SEM and LSM tests showed there is less salt-frost damage under sustained compression loads due to the denser microstructures of ITZs after synergistic modification by NS and AE. This is demonstrated by stronger bonding properties between original aggregate and old mortar and less elevation differences at old/new ITZs. Above all, this study explores the evolving trends of salt-frost damage and microstructure for simulant ITZs inside RAC under the coupling actions of sustained compression loads and SFT, which can provide some basis for the durability assessment of RAC structures exposed to cold region.
要进一步探索暴露在寒冷地区的再生骨料混凝土(RAC)的耐久性相关特性,就必须对多个界面过渡区(ITZ)进行盐霜破坏表征。再生骨料混凝土结构的实际使用状态往往与多种环境相耦合,导致 IT 区的冻融破坏机制更为复杂。本研究采用 RAC 试件的模拟多重 ITZ,研究盐霜循环(SFT)和持续压缩荷载耦合作用下 ITZ 性能的损伤演化行为。研究进一步探讨了纳米二氧化硅(NS)和引气剂(AE)对 RAC 内部 ITZs 抗盐霜性能增强的影响。测量了改性模拟剂对 RAC 多 ITZ 的表观形貌和相对动态弹性模量(RDEM),以表征盐霜损伤,并进一步进行了微观结构分析,包括显微硬度、激光扫描显微镜(LSM)和扫描电镜(SEM)观察,旨在揭示模拟剂改性 ITZ 在 RAC 内部的盐霜损伤机理。结果表明,适当剂量的 NS 和 AE 可通过强化内部微结构有效减少 RAC 的盐冻结垢。加入 AE 的 NS 改性 RAC 样品的 RDEM 始终高于 NS 改性 RAC 和未改性 RAC。经过 NS 改性后,旧 ITZ 的最小显微硬度提高了 10.2%,厚度平均减少了约 10μm。SFT 后改性 RAC 的显微硬度损失相对较小。相反,施加较高压应力水平的荷载明显加速了非改性和改性 ITZ 的盐冻破坏过程。SEM 和 LSM 测试结果表明,在持续压缩载荷作用下,ITZ 的盐冻破坏较小,这是因为经过 NS 和 AE 协同改性后,ITZ 的微观结构更加致密。这表现在原始骨料和旧砂浆之间的粘结性能更强,新旧 ITZ 的高差更小。总之,本研究探讨了在持续压缩荷载和SFT的耦合作用下,RAC内部模拟ITZ的盐冻破坏和微结构的演变趋势,为暴露在寒冷地区的RAC结构的耐久性评估提供了一定的依据。
{"title":"Salt-frost damage characterization of simulant multiple ITZs in nano-silica modified recycled aggregate concrete","authors":"Hongrui Zhang, Haidong Xu, Jiuwen Bao, Ran Li, Qiang Song, Jianwei Sun, Ling Qin","doi":"10.1016/j.mtcomm.2024.110296","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110296","url":null,"abstract":"The salt-frost damage characterization of multiple interfacial transition zones (ITZs) is one of the major concerns for further exploring the durability-related properties of recycled aggregate concrete (RAC) exposed to cold region. The actual service state of RAC structures is often coupled with multiple environments, leading to more complex freeze-thaw damage mechanisms in ITZs. This study adopted the simulant multiple ITZs of RAC specimens to investigate the damage evolution behavior of ITZs performance under the coupling actions of salt-frost cycles (SFT) and sustained compression loads. Effect of nano-silica (NS) and air-entraining agent (AE) on the salt-frost resistance strengthening for ITZs inside RAC was further explored. The apparent morphology and the relative dynamic elastic modulus (RDEM) of modified simulant multiple ITZs of RAC were measured to characterize the salt frost damage, and further the microstructural analysis including microhardness, laser scanning microscope (LSM) and SEM observation was conducted, aiming at revealing the salt-frost damage mechanisms of simulant modified ITZs inside RAC. The results indicate that the appropriate dosage of NS and AE could effectively reduce the salt-frost scaling of RAC by strengthening the internal microstructures. The RDEM of NS-modified RAC samples incorporating with AE was always higher than NS-modified RAC and non-modified RAC. After NS-modified, the minimum microhardness of old ITZs was increased by 10.2 % and the thickness was averagely reduced by about 10μm. The microhardness loss of modified RAC after SFT was relatively smaller. On the contrary, applying loading with higher compressive stress level markedly accelerates the salt-frost damage process of non-modified and modified ITZs. The results of SEM and LSM tests showed there is less salt-frost damage under sustained compression loads due to the denser microstructures of ITZs after synergistic modification by NS and AE. This is demonstrated by stronger bonding properties between original aggregate and old mortar and less elevation differences at old/new ITZs. Above all, this study explores the evolving trends of salt-frost damage and microstructure for simulant ITZs inside RAC under the coupling actions of sustained compression loads and SFT, which can provide some basis for the durability assessment of RAC structures exposed to cold region.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"42 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142224916","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Novel insights into heterogeneous nucleation interface properties between La2O3 and γ-TiAl: First-principles calculations La2O3 与 γ-TiAl 之间异质成核界面特性的新见解:第一性原理计算
IF 3.8 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1016/j.mtcomm.2024.110292
Qizhen He, Jibo Wang, Wenwei Song, Yuenian He, Xuejun Ren, Jing Guo, Qingxiang Yang
The refinement effect of the rare earth oxide LaO on γ-TiAl by first-principles method was investigated in this study. The mismatch between different low-index interfaces of LaO and γ-TiAl was calculated, and the interface with the smallest mismatch was selected to construct the LaO/γ-TiAl interface. The stability and electronic structure of the interface were assessed, and the efficacy of LaO as a heterogeneous nucleation core for γ-TiAl was analyzed. The results reveal that the LaO (100)/γ-TiAl(100) interface displays the smallest mismatch, which is 4.36 %. Four LaO (100)/γ-TiAl(100) interface models were constructed based on various surface terminations and stacking sequences. Among these models, the O-Al model exhibits the highest interfacial binding energy of 5.062 J/m, while the O-Ti model demonstrates the lowest interfacial energy of −3.300 J/m. The primary bond type in the interface models is ionic bonding. Therefore, from the geometric and energetic aspects of the interface structure, it can be inferred that LaO can act as a heterogeneous nucleation core for refining the γ-TiAl phase, with a preference for forming O-Ti type heterogeneous nucleation interfaces.
本研究采用第一原理方法研究了稀土氧化物 LaO 对γ-TiAl 的细化效应。计算了 LaO 与 γ-TiAl 不同低指数界面之间的失配,并选择失配最小的界面构建了 LaO/γ-TiAl 界面。评估了界面的稳定性和电子结构,并分析了 LaO 作为γ-TiAl 的异质成核核心的功效。结果显示,LaO(100)/γ-TiAl(100)界面的错配度最小,为 4.36%。根据不同的表面终止和堆叠序列,构建了四个 LaO (100)/γ-TiAl(100) 界面模型。在这些模型中,O-Al 模型的界面结合能最高,为 5.062 J/m,而 O-Ti 模型的界面结合能最低,为 -3.300 J/m。界面模型中的主要结合类型是离子结合。因此,从界面结构的几何和能量方面可以推断,LaO 可以作为炼化γ-TiAl 相的异质成核核心,优先形成 O-Ti 类型的异质成核界面。
{"title":"Novel insights into heterogeneous nucleation interface properties between La2O3 and γ-TiAl: First-principles calculations","authors":"Qizhen He, Jibo Wang, Wenwei Song, Yuenian He, Xuejun Ren, Jing Guo, Qingxiang Yang","doi":"10.1016/j.mtcomm.2024.110292","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110292","url":null,"abstract":"The refinement effect of the rare earth oxide LaO on γ-TiAl by first-principles method was investigated in this study. The mismatch between different low-index interfaces of LaO and γ-TiAl was calculated, and the interface with the smallest mismatch was selected to construct the LaO/γ-TiAl interface. The stability and electronic structure of the interface were assessed, and the efficacy of LaO as a heterogeneous nucleation core for γ-TiAl was analyzed. The results reveal that the LaO (100)/γ-TiAl(100) interface displays the smallest mismatch, which is 4.36 %. Four LaO (100)/γ-TiAl(100) interface models were constructed based on various surface terminations and stacking sequences. Among these models, the O-Al model exhibits the highest interfacial binding energy of 5.062 J/m, while the O-Ti model demonstrates the lowest interfacial energy of −3.300 J/m. The primary bond type in the interface models is ionic bonding. Therefore, from the geometric and energetic aspects of the interface structure, it can be inferred that LaO can act as a heterogeneous nucleation core for refining the γ-TiAl phase, with a preference for forming O-Ti type heterogeneous nucleation interfaces.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"61 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142193554","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Full spin polarization and pure spin current produced by the photogalvanic effect in penta-PdN2 photodetector 五钯氮化镓光电探测器中的光电极化效应产生的全自旋极化和纯自旋电流
IF 3.8 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1016/j.mtcomm.2024.110267
Xi Fu, Jian Lin, Guangyao Liang, Wenhu Liao, Jiyuan Guo, Xiaowu Li, Liming Li
The photogalvanic effects (PGEs) in low-dimensional devices were thought to be an important mechanism to generate pure spin current which was a essential problem in spintronics. Herein, based on non-equilibrium Green’s function combined with density functional theory, we studied linear and elliptical spin dependent PGEs in the photodetector based on the penta-PdN monolayer at zero bias. Due to spin-orbit coupling originating from the heavy metal atoms Pd and low symmetry of C for the pristine case and C for the defect cases, the penta-PdN photodetector at pristine, vacancy and substitution-doping situations can produce robust spin dependent PGEs, and the import of defects were able to strengthen the linear and elliptical PGEs, respectively. More importantly, on account of enormous splitting of the DOS for the pristine, Pd-vacancy, N-vacancy and NN-vacancy cases, spin up and spin down photocurrents accordingly formed spin splitting, which eventually led to full spin polarization and then pure spin currents in the penta-PdN photodetector. PdSe monolayer has been compounded in experiments, so structurally similar penta-PdN monolayer possesses highly possible to be prepared. Therefore, if the penta-PdN photodetector can be successful assembled, the spin-generator will be reality, even no need to be doped because the pristine penta-PdN photodetector can give rise to pure spin currents. In addtion, the penta-PdN photodetector at different situations are highly polarization sensitive. In conclude, our work suggested great potential applications of the penta-PdN monolayer on PGE-driven low energy-consumption photodetectors and spin-generators in optoelectronics and spintronics.
低维器件中的光电效应(PGEs)被认为是产生纯自旋电流的重要机制,而这正是自旋电子学中的一个基本问题。在此,我们基于非平衡格林函数和密度泛函理论,研究了零偏压下基于五钯单层的光电探测器中的线性和椭圆自旋相关 PGEs。由于重金属原子 Pd 的自旋轨道耦合以及原始情况下 C 的低对称性和缺陷情况下 C 的低对称性,五钯氮光电探测器在原始、空位和置换掺杂情况下都能产生稳健的自旋相关 PGE,而缺陷的输入则能分别加强线性和椭圆 PGE。更重要的是,由于原始、Pd-空位、N-空位和 NN-空位情况下 DOS 的巨大分裂,自旋上行和自旋下行光电流也相应地形成了自旋分裂,最终在五钯硒光电探测器中形成了完全的自旋极化和纯自旋电流。钯硒单层已在实验中复合,因此极有可能制备出结构类似的五钯萘单层。因此,如果五钯氮光电探测器能够成功组装,自旋发生器将成为现实,甚至无需掺杂,因为原始的五钯氮光电探测器可以产生纯净的自旋电流。此外,五氧化钯光电探测器在不同情况下都具有高度的偏振敏感性。总之,我们的工作表明,五钯单层在 PGE 驱动的低能耗光电探测器和自旋发电机上的应用潜力巨大,可用于光电子学和自旋电子学领域。
{"title":"Full spin polarization and pure spin current produced by the photogalvanic effect in penta-PdN2 photodetector","authors":"Xi Fu, Jian Lin, Guangyao Liang, Wenhu Liao, Jiyuan Guo, Xiaowu Li, Liming Li","doi":"10.1016/j.mtcomm.2024.110267","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110267","url":null,"abstract":"The photogalvanic effects (PGEs) in low-dimensional devices were thought to be an important mechanism to generate pure spin current which was a essential problem in spintronics. Herein, based on non-equilibrium Green’s function combined with density functional theory, we studied linear and elliptical spin dependent PGEs in the photodetector based on the penta-PdN monolayer at zero bias. Due to spin-orbit coupling originating from the heavy metal atoms Pd and low symmetry of C for the pristine case and C for the defect cases, the penta-PdN photodetector at pristine, vacancy and substitution-doping situations can produce robust spin dependent PGEs, and the import of defects were able to strengthen the linear and elliptical PGEs, respectively. More importantly, on account of enormous splitting of the DOS for the pristine, Pd-vacancy, N-vacancy and NN-vacancy cases, spin up and spin down photocurrents accordingly formed spin splitting, which eventually led to full spin polarization and then pure spin currents in the penta-PdN photodetector. PdSe monolayer has been compounded in experiments, so structurally similar penta-PdN monolayer possesses highly possible to be prepared. Therefore, if the penta-PdN photodetector can be successful assembled, the spin-generator will be reality, even no need to be doped because the pristine penta-PdN photodetector can give rise to pure spin currents. In addtion, the penta-PdN photodetector at different situations are highly polarization sensitive. In conclude, our work suggested great potential applications of the penta-PdN monolayer on PGE-driven low energy-consumption photodetectors and spin-generators in optoelectronics and spintronics.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"9 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142193555","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synergistic effect of in-situ TiC particles synthesis on microstructure and mechanical properties of Fe-rich eutectic Al-Si alloy 原位合成 TiC 粒子对富铁共晶铝硅合金微观结构和力学性能的协同效应
IF 3.8 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1016/j.mtcomm.2024.110257
Qiufeng Jiang, Peng Tang, Hao Jiang
The presence of long acicular Fe-rich intermetallic compound phases in recycled Al-Si alloys significantly affects the mechanical properties of the alloy. In-situ formed ceramic particles, serving as reinforcing phases, can optimize the material's performance while maintaining thermodynamic stability. This study utilized the in-situ preparation method via a stir casting process to produce TiC/Al-Si-Fe composite materials, investigating the impact of in-situ TiC particles on the mechanical properties and microstructural evolution of the Al-12Si-1.7Fe cast alloy. The potential for TiC formation was assessed based on the principles of chemical reaction thermodynamics. The results indicate that the addition of Ti and C refined the microstructure and led to a more uniform phase distribution. Some Fe-rich phases transformed from long acicular structures to fishbone-like structures, effectively alleviating stress concentration. Furthermore, the formation of a small amount of AlTi phase, in conjunction with the hard TiC reinforcing particles, significantly reduced the average coefficient of friction from 0.91 to 0.6, shifting the wear mode from a complex pattern to one dominated by abrasive wear. However, the presence of incompletely reacted carbon particles and the segregated (Al,Si)Ti phase negatively impacted the susceptibility to brittle failure of the matrix. This in-situ ceramic particle preparation method provides valuable guidance for the study of wear resistance, phase transformation, and strengthening mechanisms in recycled Fe-rich Al-Si alloys.
再生铝硅合金中长针状富铁金属间化合物相的存在严重影响了合金的机械性能。原位形成的陶瓷颗粒可作为增强相,在保持热力学稳定性的同时优化材料的性能。本研究利用搅拌铸造工艺原位制备方法生产 TiC/Al-Si-Fe 复合材料,研究原位 TiC 颗粒对 Al-12Si-1.7Fe 铸造合金机械性能和微观结构演变的影响。根据化学反应热力学原理评估了 TiC 形成的可能性。结果表明,Ti 和 C 的添加完善了微观结构,并使相分布更加均匀。一些富含铁的相从长针状结构转变为鱼骨状结构,有效缓解了应力集中。此外,少量 AlTi 相的形成与坚硬的 TiC 增强颗粒相结合,大大降低了平均摩擦系数,从 0.91 降至 0.6,使磨损模式从复杂模式转变为以磨料磨损为主。然而,未完全反应的碳颗粒和偏析的(Al,Si)Ti 相的存在对基体的脆性破坏敏感性产生了负面影响。这种原位陶瓷颗粒制备方法为研究再生富铁铝硅合金的耐磨性、相变和强化机制提供了宝贵的指导。
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Materials Today Communications
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