Pub Date : 2024-09-03DOI: 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.
{"title":"Synergistic effect of in-situ TiC particles synthesis on microstructure and mechanical properties of Fe-rich eutectic Al-Si alloy","authors":"Qiufeng Jiang, Peng Tang, Hao Jiang","doi":"10.1016/j.mtcomm.2024.110257","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110257","url":null,"abstract":"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.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"2012 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142193561","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}
Pub Date : 2024-09-03DOI: 10.1016/j.mtcomm.2024.110297
Jixi Chen, Jinqing Jia, Mengyu Zhu
Seawater instead of freshwater to produce concrete is an effective measure to save freshwater resources. However, the presence of harmful ions in seawater restricts its broader application. The incorporation of supplementary cementitious materials (SCMs) has the potential to significantly mitigate these adverse effects. Consequently, there is a growing interest in understanding the mechanisms by which SCMs function in seawater-mixed cementitious systems. In this study, a quadratic polynomial prediction model with the mechanical properties and dry shrinkage of the composite matrix as the response target was analyzed by the response surface method (RSM). Tests and analytical techniques elucidated the effects of metakaolin (MK) and ground granulated blast-furnace slag (GGBS) on the hydration process of the pastes after seawater mixing. The results revealed that the compressive strength and dry shrinkage were influenced by single-factor or multi-factor interactions. The optimal mix design (MK=20.2 % and GGBS=10.0 %) was experimentally validated, showing an absolute error of 1.5 %. The microstructural analysis indicated that MK and GGBS expedited essential pozzolanic reactions. Enhanced strength in mixtures before 3 d was attributed to cation exchange and initial flocculation. In the 28 d specimens, the increase in strength was related to the growth of Friedel’s salt crystals and C-(A)-S-H gels. Due to the presence of the C-(A)-S-H gels and AFm phases, chloride ions were efficiently immobilized, and the shrinkage of the matrix was reduced.
{"title":"Multi-objective optimization of seawater mixing in cement-based materials with supplementary cementitious materials using response surface methodology","authors":"Jixi Chen, Jinqing Jia, Mengyu Zhu","doi":"10.1016/j.mtcomm.2024.110297","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110297","url":null,"abstract":"Seawater instead of freshwater to produce concrete is an effective measure to save freshwater resources. However, the presence of harmful ions in seawater restricts its broader application. The incorporation of supplementary cementitious materials (SCMs) has the potential to significantly mitigate these adverse effects. Consequently, there is a growing interest in understanding the mechanisms by which SCMs function in seawater-mixed cementitious systems. In this study, a quadratic polynomial prediction model with the mechanical properties and dry shrinkage of the composite matrix as the response target was analyzed by the response surface method (RSM). Tests and analytical techniques elucidated the effects of metakaolin (MK) and ground granulated blast-furnace slag (GGBS) on the hydration process of the pastes after seawater mixing. The results revealed that the compressive strength and dry shrinkage were influenced by single-factor or multi-factor interactions. The optimal mix design (MK=20.2 % and GGBS=10.0 %) was experimentally validated, showing an absolute error of 1.5 %. The microstructural analysis indicated that MK and GGBS expedited essential pozzolanic reactions. Enhanced strength in mixtures before 3 d was attributed to cation exchange and initial flocculation. In the 28 d specimens, the increase in strength was related to the growth of Friedel’s salt crystals and C-(A)-S-H gels. Due to the presence of the C-(A)-S-H gels and AFm phases, chloride ions were efficiently immobilized, and the shrinkage of the matrix was reduced.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"2020 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142224886","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}
Pub Date : 2024-09-02DOI: 10.1016/j.mtcomm.2024.110287
Congli Cui, Dong Li, Li-jun Wang, Yong Wang
This study introduces a novel approach to fabricating polyvinyl alcohol (PVA)/curdlan (CURD) composite aerogels by employing the freeze-casting technique to achieve exceptional mechanical and thermal properties. Our research demonstrated that the formation of dual-network structure that combines the mechanical strength of PVA with the thermal stability of CURD. Scanning electron microscopy revealed a unique honeycomb-like cross-sectional morphology in the PVA/CURD aerogels. Notably, the PVA/CURD composite hydrogel demonstrated consistent compressive stress performance even after 50 compression cycles and exhibited minimal swelling (only 4 %) when immersed in distilled water for 24 h. Furthermore, the aerogels exhibited varying swelling ratios in different pH environments, with a significant increase observed in acidic conditions. Thermal analysis confirmed the enhanced thermal stability of the composite aerogels, attributed to the incorporation of CURD. These findings suggest that PVA/CURD composite aerogels have promising applications in fields that require materials with robust mechanical and thermal endurance.
{"title":"Enhancing mechanical and thermal properties of polyvinyl alcohol/curdlan composite hydrogels and aerogels via freeze-casting technique","authors":"Congli Cui, Dong Li, Li-jun Wang, Yong Wang","doi":"10.1016/j.mtcomm.2024.110287","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110287","url":null,"abstract":"This study introduces a novel approach to fabricating polyvinyl alcohol (PVA)/curdlan (CURD) composite aerogels by employing the freeze-casting technique to achieve exceptional mechanical and thermal properties. Our research demonstrated that the formation of dual-network structure that combines the mechanical strength of PVA with the thermal stability of CURD. Scanning electron microscopy revealed a unique honeycomb-like cross-sectional morphology in the PVA/CURD aerogels. Notably, the PVA/CURD composite hydrogel demonstrated consistent compressive stress performance even after 50 compression cycles and exhibited minimal swelling (only 4 %) when immersed in distilled water for 24 h. Furthermore, the aerogels exhibited varying swelling ratios in different pH environments, with a significant increase observed in acidic conditions. Thermal analysis confirmed the enhanced thermal stability of the composite aerogels, attributed to the incorporation of CURD. These findings suggest that PVA/CURD composite aerogels have promising applications in fields that require materials with robust mechanical and thermal endurance.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"11 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142193563","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}
Titanium/steel hybrid structure exhibit broad prospects in the nuclear industry and aerospace applications. Achieving high-performance titanium/steel bonding is crucial. Herein, the novel AlCoCrNiCuAg/Cu high entropy composite interlayer was designed for vacuum diffusion bonding of TC4 alloy to 316L stainless steel. The effects of bonding temperature, holding time and assembly sequence on the interfacial microstructure and mechanical properties were investigated, and the fracture behaviors were researched. Typical microstructure of the joint bonded at 1010 °C for 90 min via AlCoCrNiCuAg/Cu sequence was TC4/β-Ti/β-Ti+TiFe/TiFe+χ+σ/α-Fe+χ+σ/316L. With bonding temperature increased, due to the dispersed distribution of the Cu phase in the Ti-Fe phases, the highest shear strength of 222.8 MPa was achieved at 1010 °C/90 min. The cleavage characteristics were confirmed in the fracture surfaces, suggesting the brittle fracture. The main cracks were located at the junction of the TiFe+χ+σ and the β-Ti+TiFe layers, further confirmed that the interface appeared immense strain, accelerating the joint fracture.
{"title":"A novel high entropy composite interlayer for diffusion bonding of TC4 titanium alloy to 316L stainless steel","authors":"Yinchen Wang, Peng Li, Chenhao Zhao, Zhijie Ding, Chao Li, Yue Yao, Honggang Dong","doi":"10.1016/j.mtcomm.2024.110291","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110291","url":null,"abstract":"Titanium/steel hybrid structure exhibit broad prospects in the nuclear industry and aerospace applications. Achieving high-performance titanium/steel bonding is crucial. Herein, the novel AlCoCrNiCuAg/Cu high entropy composite interlayer was designed for vacuum diffusion bonding of TC4 alloy to 316L stainless steel. The effects of bonding temperature, holding time and assembly sequence on the interfacial microstructure and mechanical properties were investigated, and the fracture behaviors were researched. Typical microstructure of the joint bonded at 1010 °C for 90 min via AlCoCrNiCuAg/Cu sequence was TC4/β-Ti/β-Ti+TiFe/TiFe+χ+σ/α-Fe+χ+σ/316L. With bonding temperature increased, due to the dispersed distribution of the Cu phase in the Ti-Fe phases, the highest shear strength of 222.8 MPa was achieved at 1010 °C/90 min. The cleavage characteristics were confirmed in the fracture surfaces, suggesting the brittle fracture. The main cracks were located at the junction of the TiFe+χ+σ and the β-Ti+TiFe layers, further confirmed that the interface appeared immense strain, accelerating the joint fracture.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"25 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142193562","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}
Pub Date : 2024-09-02DOI: 10.1016/j.mtcomm.2024.110311
Minghe Zhang, Dongtao Wang, Zibin Wu, Xiaozu Zhang, Fuan Hua, Bo Zhang, Lai Chen, Xiaojun Zhou, Xiaocun Chen, Hiromi Nagaumi
Short-time aging is an effective industrial technique for enhancing the mechanical properties of high pressure die cast (HPDC) aluminum alloy components. However, the evolution of precipitation behavior during short-time aging of HPDC alloys remains unclear. In this study, the short-time aging behavior of HPDC AlSi9MgMnZn alloy was investigated. The results show that the AlSi9MgMnZn alloy exhibits effective aging-hardening, with an increment in hardness of approximately 30 HV through the optimal short-time aging treatment (aged at 180 °C for 120 minutes). Higher aging temperatures led to reduced peak hardness and rapid over-aging above 220 °C. The microstructure observation indicates that the peak short-time aging promotes the simultaneous precipitation of β″ precipitates, GP zones and nano Si phases. The contribution of different strengthening mechanisms to hardness was estimated, implying that the coexistence of β″ precipitates and GP zones can provide a positive contribution to aging-hardening during short-time aging. Moreover, as the aging temperature increases, the appearance of β′ precipitates reduces the strengthening effect, leading to a decrease in hardness.
短时时效是提高高压压铸（HPDC）铝合金部件机械性能的有效工业技术。然而，HPDC 合金在短时时效过程中的析出行为演变仍不清楚。本研究对高压压铸铝硅酸盐-9镁锰锌合金的短时时效行为进行了研究。结果表明，AlSi9MgMnZn 合金表现出有效的时效硬化，通过最佳短时时效处理（在 180 °C 下时效 120 分钟），硬度提高了约 30 HV。更高的时效温度会导致峰值硬度降低，并在 220 °C 以上快速过时效。微观结构观察表明，峰值短时间老化促进了β″析出物、GP区和纳米硅相的同时析出。对不同强化机制对硬度的贡献进行了估算，结果表明，β″析出物和 GP 区的共存可对短时间老化过程中的老化硬化起到积极作用。此外，随着时效温度的升高，β′析出物的出现会降低强化效果，导致硬度下降。
{"title":"The aging-hardening behavior of short-time in high pressure die casting AlSi9MgMnZn alloy","authors":"Minghe Zhang, Dongtao Wang, Zibin Wu, Xiaozu Zhang, Fuan Hua, Bo Zhang, Lai Chen, Xiaojun Zhou, Xiaocun Chen, Hiromi Nagaumi","doi":"10.1016/j.mtcomm.2024.110311","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110311","url":null,"abstract":"Short-time aging is an effective industrial technique for enhancing the mechanical properties of high pressure die cast (HPDC) aluminum alloy components. However, the evolution of precipitation behavior during short-time aging of HPDC alloys remains unclear. In this study, the short-time aging behavior of HPDC AlSi9MgMnZn alloy was investigated. The results show that the AlSi9MgMnZn alloy exhibits effective aging-hardening, with an increment in hardness of approximately 30 HV through the optimal short-time aging treatment (aged at 180 °C for 120 minutes). Higher aging temperatures led to reduced peak hardness and rapid over-aging above 220 °C. The microstructure observation indicates that the peak short-time aging promotes the simultaneous precipitation of β″ precipitates, GP zones and nano Si phases. The contribution of different strengthening mechanisms to hardness was estimated, implying that the coexistence of β″ precipitates and GP zones can provide a positive contribution to aging-hardening during short-time aging. Moreover, as the aging temperature increases, the appearance of β′ precipitates reduces the strengthening effect, leading to a decrease in hardness.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"42 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142224885","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}
Pub Date : 2024-09-02DOI: 10.1016/j.mtcomm.2024.110285
Shiliang Wu, Haitao Wang, Sujuan Wang, Wenshuai Liu
High entropy alloys (HEAs) are renowned for their outstanding mechanical properties and thermal stability, yet their complex compositions pose significant processing challenges. This study introduces an innovative approach using Laser Powder Bed Fusion (LPBF) to directly fabricate the (FeCoNi)AlTi HEA, bypassing the extensive post-processing typically required. Unlike Vacuum Arc Melting (VAM), the LPBF method produces a refined microstructure with fine cellular substructures, elemental segregation, and L2 phase nano-precipitates. These features contribute to significantly improved mechanical performance, with the LPBF-produced alloy achieving an ultimate tensile strength of 1221.6 MPa and a tensile strain of 32.6 %, compared to the VAM-produced HEA, which exhibits an ultimate tensile strength of 972.5 MPa and a tensile strain of 8.8 %. This work demonstrates that LPBF can not only achieve but enhance the properties of HEAs, offering a streamlined and effective alternative to conventional methods. The findings underscore the transformative potential of LPBF in shaping high-performance HEAs, eliminating the need for additional treatments, and opening new avenues for advanced material design.
高熵合金（HEAs）因其出色的机械性能和热稳定性而闻名于世，但其复杂的成分给加工带来了巨大挑战。本研究介绍了一种使用激光粉末床熔融（LPBF）直接制造（铁钴镍）铝钛高熵合金的创新方法，绕过了通常需要的大量后处理工序。与真空电弧熔炼（VAM）不同，LPBF 方法能产生精细的微观结构，包括细小的蜂窝状亚结构、元素偏析和 L2 相纳米沉淀物。LPBF 生产的合金的极限拉伸强度为 1221.6 兆帕，拉伸应变为 32.6%，而 VAM 生产的 HEA 的极限拉伸强度为 972.5 兆帕，拉伸应变为 8.8%。这项研究表明，LPBF 不仅能实现而且能提高 HEA 的性能，为传统方法提供了一种简便有效的替代方法。研究结果强调了 LPBF 在塑造高性能 HEA 方面的变革潜力，无需额外处理，为先进材料设计开辟了新途径。
{"title":"Strong yet ductile (FeCoNi)86Al7Ti7 high-entropy alloy via laser powder bed fusion","authors":"Shiliang Wu, Haitao Wang, Sujuan Wang, Wenshuai Liu","doi":"10.1016/j.mtcomm.2024.110285","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110285","url":null,"abstract":"High entropy alloys (HEAs) are renowned for their outstanding mechanical properties and thermal stability, yet their complex compositions pose significant processing challenges. This study introduces an innovative approach using Laser Powder Bed Fusion (LPBF) to directly fabricate the (FeCoNi)AlTi HEA, bypassing the extensive post-processing typically required. Unlike Vacuum Arc Melting (VAM), the LPBF method produces a refined microstructure with fine cellular substructures, elemental segregation, and L2 phase nano-precipitates. These features contribute to significantly improved mechanical performance, with the LPBF-produced alloy achieving an ultimate tensile strength of 1221.6 MPa and a tensile strain of 32.6 %, compared to the VAM-produced HEA, which exhibits an ultimate tensile strength of 972.5 MPa and a tensile strain of 8.8 %. This work demonstrates that LPBF can not only achieve but enhance the properties of HEAs, offering a streamlined and effective alternative to conventional methods. The findings underscore the transformative potential of LPBF in shaping high-performance HEAs, eliminating the need for additional treatments, and opening new avenues for advanced material design.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"62 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142193565","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}
The fracture toughness of the weld deposited metal plays an important role in the safe service of the reactor pressure vessel (RPV). Shielded melting arc welding (SMAW) and submerged arc welding (SAW) are two common welding methods in the construction of RPV. In this paper, the effects of the welding method and post-weld heat treatment (PWHT) on the index T of low-temperature fracture toughness of deposited metal were studied respectively. Through the characterization and observation of microstructure and cleavage crack initiation, the effect mechanism of the welding method and PWHT on the low-temperature fracture toughness of deposited metal was determined. The results show that the position in which oxide near the hardening phase is easy to become the cleavage crack initiation of deposited metal. The PWHT dissolves the M-A island to improve the fracture toughness of the deposited metal. The SMAW deposited metal has a smaller oxide inclusion diameter and less cementite than SAW, resulting in higher fracture toughness.
{"title":"Effect of welding method and heat treatment on the fracture toughness of low alloy steel deposited metal","authors":"Jingping Ma, Rui Cao, Xin Zhou, Fei Yang, Yuting Zhu, Yi Zhang, Kejin Zhang","doi":"10.1016/j.mtcomm.2024.110304","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110304","url":null,"abstract":"The fracture toughness of the weld deposited metal plays an important role in the safe service of the reactor pressure vessel (RPV). Shielded melting arc welding (SMAW) and submerged arc welding (SAW) are two common welding methods in the construction of RPV. In this paper, the effects of the welding method and post-weld heat treatment (PWHT) on the index T of low-temperature fracture toughness of deposited metal were studied respectively. Through the characterization and observation of microstructure and cleavage crack initiation, the effect mechanism of the welding method and PWHT on the low-temperature fracture toughness of deposited metal was determined. The results show that the position in which oxide near the hardening phase is easy to become the cleavage crack initiation of deposited metal. The PWHT dissolves the M-A island to improve the fracture toughness of the deposited metal. The SMAW deposited metal has a smaller oxide inclusion diameter and less cementite than SAW, resulting in higher fracture toughness.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"5 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142224917","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}
The development of two-dimensional anode materials with superior performance is becoming a critical undertaking for the advancement of Na-ion battery technology. Using isoelectronic substitution strategies, we predicted three alkali metal borides AMB (AM = K, Rb, Cs) based on the SrB monolayer. Ab initio molecular dynamics simulations and phonon dispersion relationship calculations demonstrated their stability. Using density functional theory, we predict the feasibility of these three new metal nanosheets as anodes for Na-ion batteries. The AMB monolayer retains its metallicity after the insertion of Na ions, ensuring that the anode has good electrical conductivity. In addition, AMB has a low diffusion barrier and open circuit voltage (KB is 0.08 eV and 0.26 V) during charge/discharge. In the voltage range that inhibits dendrite growth, KB can reach the maximum theoretical specific capacity (326 mAh/g). These results indicate that AMB, especially KB, is a promising anode material for Na-ion batteries.
开发性能优越的二维负极材料正成为推动钠离子电池技术发展的一项关键任务。利用等电子取代策略，我们预测了基于 SrB 单层的三种碱金属硼化物 AMB（AM = K、Rb、Cs）。Ab initio 分子动力学模拟和声子色散关系计算证明了它们的稳定性。利用密度泛函理论，我们预测了这三种新型金属纳米片作为纳离子电池阳极的可行性。插入 Na 离子后，AMB 单层仍能保持其金属性，从而确保阳极具有良好的导电性。此外，AMB 在充放电过程中具有较低的扩散势垒和开路电压（KB 为 0.08 eV 和 0.26 V）。在抑制枝晶生长的电压范围内，KB 可以达到最大理论比容量（326 mAh/g）。这些结果表明，AMB，尤其是 KB，是一种很有前途的镎离子电池阳极材料。
{"title":"Theoretical prediction of two-dimensional metallic AM2B8 (AM = K, Rb, Cs) as anode materials for Na-ion batteries","authors":"Siqi Liu, Jinyan Chen, Yuhan Wang, Jianhua Hou, Qian Duan","doi":"10.1016/j.mtcomm.2024.110284","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110284","url":null,"abstract":"The development of two-dimensional anode materials with superior performance is becoming a critical undertaking for the advancement of Na-ion battery technology. Using isoelectronic substitution strategies, we predicted three alkali metal borides AMB (AM = K, Rb, Cs) based on the SrB monolayer. Ab initio molecular dynamics simulations and phonon dispersion relationship calculations demonstrated their stability. Using density functional theory, we predict the feasibility of these three new metal nanosheets as anodes for Na-ion batteries. The AMB monolayer retains its metallicity after the insertion of Na ions, ensuring that the anode has good electrical conductivity. In addition, AMB has a low diffusion barrier and open circuit voltage (KB is 0.08 eV and 0.26 V) during charge/discharge. In the voltage range that inhibits dendrite growth, KB can reach the maximum theoretical specific capacity (326 mAh/g). These results indicate that AMB, especially KB, is a promising anode material for Na-ion batteries.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"25 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142193567","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}
Pub Date : 2024-08-31DOI: 10.1016/j.mtcomm.2024.110279
Weiyin Li, Ruiyong Shang, Hao Feng
The adsorption behaviors of the CH molecule on the surface of the 7-atom Ag-Cu clusters are systematically investigated based on generalized gradient approximate density functional theory. The top site adsorption of CH on the Ag cluster is physical adsorption, and the top site adsorption on the other clusters is chemical adsorption. The bridge site adsorption of CH on Ag and Cu clusters is physical adsorption, while the chemical adsorption of CH on the other clusters undergoes the transformation from the bridge site to the top site adsorption on the Cu atoms. In particular, the original structures of AgCu and AgCu clusters deformed significantly when CH was adsorbed on their bridge sites. The adsorption of CH on the bridge site of the AgCu cluster is more stable than that on the top site, and the adsorption of CH on the top site of the remainder clusters is more stable than that on the bridge site. Overall, the AgCu cluster is the most stable for CH adsorption configuration among all the studied clusters.
{"title":"First-principles study of the C2H4 adsorption on the small Ag-Cu clusters","authors":"Weiyin Li, Ruiyong Shang, Hao Feng","doi":"10.1016/j.mtcomm.2024.110279","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110279","url":null,"abstract":"The adsorption behaviors of the CH molecule on the surface of the 7-atom Ag-Cu clusters are systematically investigated based on generalized gradient approximate density functional theory. The top site adsorption of CH on the Ag cluster is physical adsorption, and the top site adsorption on the other clusters is chemical adsorption. The bridge site adsorption of CH on Ag and Cu clusters is physical adsorption, while the chemical adsorption of CH on the other clusters undergoes the transformation from the bridge site to the top site adsorption on the Cu atoms. In particular, the original structures of AgCu and AgCu clusters deformed significantly when CH was adsorbed on their bridge sites. The adsorption of CH on the bridge site of the AgCu cluster is more stable than that on the top site, and the adsorption of CH on the top site of the remainder clusters is more stable than that on the bridge site. Overall, the AgCu cluster is the most stable for CH adsorption configuration among all the studied clusters.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"34 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142193572","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}
Pub Date : 2024-08-31DOI: 10.1016/j.mtcomm.2024.110282
Shanping Gao, Yuexiang Du, Mengqi Cong, Yiliang He, Weining Lei
The effects of ultrasonic impact treatment on microstructure, mechanical and properties of high-entropy alloy (HEA) coatings prepared via TIG arc melting. The experimental results indicate that ultrasonic impact treatment eliminates the aggregation or segregation of metal elements within the high-entropy alloy coating. The acoustic stream's stirring effect results in a more uniform distribution of metal elements between dendrites and interdendritic regions. Additionally, ultrasonic impact treatment also strengthens the diffraction peak of the face-centered cubic (FCC) phase, which intensifies the distortion trend in the high-entropy alloy.The average grain size of the high-entropy alloy coating was reduced by approximately 55 % (from 253 μm to 112 μm), the average microhardness increased from 535 HV to 612 HV and the wear resistance improved by about 40 %. Additionally, the longitudinal tensile strength of the coating was also enhanced. The corrosion potential of the coating in a 3.5 wt% NaCl solution increased from −507 mV to −392 mV. The improvement in corrosion resistance of was about 23 %, the corrosion type mechanism changed from intergranular corrosion to uniform corrosion. These findings suggest that ultrasonic impact treatment technology has significant research value and promising application prospects, particularly in terms of improving the mechanical properties and corrosion resistance of metals during the forming process.
{"title":"The impact of ultrasonic shock surface treatment technology on the microstructure, mechanical and corrosion properties of FeCrMnCuNiSi high-entropy alloy coating via TIG arc melting","authors":"Shanping Gao, Yuexiang Du, Mengqi Cong, Yiliang He, Weining Lei","doi":"10.1016/j.mtcomm.2024.110282","DOIUrl":"https://doi.org/10.1016/j.mtcomm.2024.110282","url":null,"abstract":"The effects of ultrasonic impact treatment on microstructure, mechanical and properties of high-entropy alloy (HEA) coatings prepared via TIG arc melting. The experimental results indicate that ultrasonic impact treatment eliminates the aggregation or segregation of metal elements within the high-entropy alloy coating. The acoustic stream's stirring effect results in a more uniform distribution of metal elements between dendrites and interdendritic regions. Additionally, ultrasonic impact treatment also strengthens the diffraction peak of the face-centered cubic (FCC) phase, which intensifies the distortion trend in the high-entropy alloy.The average grain size of the high-entropy alloy coating was reduced by approximately 55 % (from 253 μm to 112 μm), the average microhardness increased from 535 HV to 612 HV and the wear resistance improved by about 40 %. Additionally, the longitudinal tensile strength of the coating was also enhanced. The corrosion potential of the coating in a 3.5 wt% NaCl solution increased from −507 mV to −392 mV. The improvement in corrosion resistance of was about 23 %, the corrosion type mechanism changed from intergranular corrosion to uniform corrosion. These findings suggest that ultrasonic impact treatment technology has significant research value and promising application prospects, particularly in terms of improving the mechanical properties and corrosion resistance of metals during the forming process.","PeriodicalId":18477,"journal":{"name":"Materials Today Communications","volume":"151 1","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142193568","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}
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