Journal of Magnesium and Alloys最新文献_第6页

A review of biodegradable biliary stents made of magnesium metals: Current progress and future trends 金属镁材料可生物降解胆道支架的研究进展及趋势

IF 15.8 1区材料科学

Journal of Magnesium and Alloys Pub Date : 2025-01-01 DOI: 10.1016/j.jma.2024.11.014

Ling Liu , Tuo En Liu , Tan To Cheung

{"title":"A review of biodegradable biliary stents made of magnesium metals: Current progress and future trends","authors":"Ling Liu , Tuo En Liu , Tan To Cheung","doi":"10.1016/j.jma.2024.11.014","DOIUrl":"10.1016/j.jma.2024.11.014","url":null,"abstract":"<div><div>Biliary system, which is responsible for transporting bile from the liver into the intestine, is commonly damaged by inflammation or tumors eventually causing liver failure or death. The implantation of biliary stents can effectively alleviate both benign and malignant biliary strictures, but the plastic and metal stents that are currently used cannot degrade and nearly has no beneficial biological effects, therefore their long-term service can result into inflammation, the formation of sludges and re-obstruction of bile duct. In recent years, magnesium (Mg) metal has been received increasing attention in the field of biomedical application due to its excellent biocompatibility, adequate mechanical properties, biodegradability and other advantages, such as anti-inflammatory and anti-tumor properties. The research on biliary stents made of magnesium metals (BSMM) has also made significant progress and a series of experiments in vitro and vivo has proved their possibility. However, there are still some problems holding back BSMM's clinical use, including rapid corrosion rate and potential harmful reaction. In this review, we would summarize the current research of BSMM, evaluate their clinical benefits, find the choke points, and discuss the solving method.</div></div>","PeriodicalId":16214,"journal":{"name":"Journal of Magnesium and Alloys","volume":"13 1","pages":"Pages 30-40"},"PeriodicalIF":15.8,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142776639","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Highly corrosion-resistant and photocatalytic hybrid coating on AZ31 Mg alloy via plasma electrolytic oxidation with organic-inorganic integration 有机-无机结合等离子体电解氧化制备AZ31镁合金高耐蚀光催化杂化涂层

IF 15.8 1区材料科学

Journal of Magnesium and Alloys Pub Date : 2025-01-01 DOI: 10.1016/j.jma.2024.11.027

Talitha Tara Thanaa , Mohammad Aadil , Alireza Askari , Arash Fattah-alhosseini , Mohammad Alkaseem , Mosab Kaseem

{"title":"Highly corrosion-resistant and photocatalytic hybrid coating on AZ31 Mg alloy via plasma electrolytic oxidation with organic-inorganic integration","authors":"Talitha Tara Thanaa , Mohammad Aadil , Alireza Askari , Arash Fattah-alhosseini , Mohammad Alkaseem , Mosab Kaseem","doi":"10.1016/j.jma.2024.11.027","DOIUrl":"10.1016/j.jma.2024.11.027","url":null,"abstract":"<div><div>This study explores the development of an organic-inorganic hybrid coating to enhance the corrosion resistance and photocatalytic properties of AZ31 Mg alloy modified by plasma electrolytic oxidation (PEO). The PEO process typically generates a porous oxide layer, which can reduce corrosion protection by allowing corrosive agents to penetrate the substrate. To address this limitation, phenopyridine (PHEN) and 2-methylimidazole (2-IMD) were incorporated into the PEO surface to form a robust organic layer on the Mg alloy. Potassium hydroxide (KOH) was used to adjust the pH, improving the interaction and solubility between the organic molecules and the PEO coating. The hybrid coating exhibited unique twig-like surface structures that contributed to forming a multifunctional coating with high corrosion resistance and superior photocatalytic activity. The PEO-PHEN-2IMD sample on the Mg alloy demonstrated exceptional corrosion resistance, with the lowest corrosion current density (<em>I<sub>corr</sub></em>) of 1.92 × 10<sup>-10</sup> A/cm², a high corrosion potential (<em>E<sub>corr</sub></em>), and the highest top layer resistance (<em>R<sub>top</sub></em>) of 2.57 × 10<sup>6</sup> Ω·cm², indicating excellent barrier properties. Additionally, the coating achieved complete (100%) degradation of methylene blue (MB) within 30 min under visible light. Density Functional Theory (DFT) calculations provide deeper insights into the bonding mechanisms and interaction stability between PHEN, 2-IMD, and the PEO layer on the Mg alloy and MB dye. These findings confirmed the enhanced performance of the hybrid coating in both corrosion resistance and photocatalytic applications.</div></div>","PeriodicalId":16214,"journal":{"name":"Journal of Magnesium and Alloys","volume":"13 1","pages":"Pages 260-282"},"PeriodicalIF":15.8,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142788573","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Spatial mapping of the localized corrosion behavior of a magnesium alloy AZ31B tungsten inert gas weld

IF 15.8 1区材料科学

Journal of Magnesium and Alloys Pub Date : 2025-01-01 DOI: 10.1016/j.jma.2024.12.019

Leslie G. (Bland) Miller , Corey M. Efaw , Rebecca F. Schaller , Kari Higginbotham , Steve D. Johns , Paul H. Davis , Elton Graugnard , John R. Scully , Michael F. Hurley

{"title":"Spatial mapping of the localized corrosion behavior of a magnesium alloy AZ31B tungsten inert gas weld","authors":"Leslie G. (Bland) Miller , Corey M. Efaw , Rebecca F. Schaller , Kari Higginbotham , Steve D. Johns , Paul H. Davis , Elton Graugnard , John R. Scully , Michael F. Hurley","doi":"10.1016/j.jma.2024.12.019","DOIUrl":"10.1016/j.jma.2024.12.019","url":null,"abstract":"<div><div>Sections of a magnesium alloy, AZ31B, joined with tungsten inert gas (TIG) welding, were examined with scanning electrochemical microscopy (SECM) and scanning Kelvin probe force microscopy (SKPFM) to investigate corrosion mechanisms by correlating observed corrosion behavior with weld-affected microstructural variations. Insight into the changing nature of the galvanic couples between weld zones and at localized microgalvanic sites were investigated using SECM and SKPFM to map both electrochemically active regions and Volta potential differences across the weld-affected zones. The formation of an Al-Zn solidification network in the fusion zone (FZ) at and near the TIG weld epicenter differs from the outer heat-affected zone (HAZ), where intermetallic particles (IMPs) are the notable secondary phase from the magnesium matrix. These microstructures were mapped with SKPFM before and after brief exposure to a salt solution, revealing micro-galvanic couples as the main driving force to corrosion initiation and propagation within each zone. The IMPs and Al-Zn solidification network act as strong cathodes and govern the corrosion processes. The galvanic coupling and evolution of the intrinsic corrosion behavior between the weld zones is explained by monitoring the hydrogen evolution reaction (HER) with SECM over time. Anodically induced cathodic activation is confirmed for this welded material, as micro-galvanic couples between microstructural features are found to transition over time to broad electrochemically active areas within the weld-affected zones, resulting in polarity reversal as time of exposure proceeds.</div></div>","PeriodicalId":16214,"journal":{"name":"Journal of Magnesium and Alloys","volume":"13 1","pages":"Pages 193-206"},"PeriodicalIF":15.8,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143055549","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Enhancing the creep resistance in a RE-free cast Mg-Al-Ca alloy through microalloying of Ti 通过钛微合金化增强无 RE 铸造镁铝钙合金的抗蠕变性

IF 15.8 1区材料科学

Journal of Magnesium and Alloys Pub Date : 2025-01-01 DOI: 10.1016/j.jma.2024.03.015

Zhuang Cui , Yang Liu , Ying Zeng , Manping Liu , Xiaochun Liu , Shiwei Xu , Xuefei Chen , Qudong Wang

{"title":"Enhancing the creep resistance in a RE-free cast Mg-Al-Ca alloy through microalloying of Ti","authors":"Zhuang Cui , Yang Liu , Ying Zeng , Manping Liu , Xiaochun Liu , Shiwei Xu , Xuefei Chen , Qudong Wang","doi":"10.1016/j.jma.2024.03.015","DOIUrl":"10.1016/j.jma.2024.03.015","url":null,"abstract":"<div><div>High temperature performance of magnesium alloys can be tailored by either grain size or precipitates in the grain interior. In this study, exceptional creep resistance was successfully acquired in a RE-free cast Mg-Al-Ca-Ti (AC51Ti) alloy. Microalloying of Ti (0.01 wt.%) has been found to be beneficial to the improvement of the tensile creep resistance in a RE-free cast Mg-5Al-0.35Mn-(1Ca) (AC51) alloy, showing a low state creep rate (SCR) of 2.70 × 10<sup>−9</sup> <em>s</em><sup>−1</sup> at 200 °C/50 MPa, which is even better than that of many reported RE-containing Mg alloys. The presence of trace Ti contributes to the substantial refinement and more uniform distribution of Al<sub>2</sub>Ca precipitates in the matrix. At the same time, the microalloying of Ti improves the solubility of Al and Ca in the matrix. It is reasonable to believe that the microalloying of Ti induced re-organization of Al<sub>2</sub>Ca precipitates, dissolved a larger amount of Al and Ca atoms into magnesium lattice, and increased the possibility of interaction between GB/dislocations and precipitates, which strongly correlates with the high temperature properties. The creep strengthening mechanisms primarily attributed to both second phase strengthening and solid solution strengthening were separately proposed based on the experimental investigations.</div></div>","PeriodicalId":16214,"journal":{"name":"Journal of Magnesium and Alloys","volume":"13 1","pages":"Pages 414-428"},"PeriodicalIF":15.8,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140779513","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

MnS/MnO heterostructures with dual ion defects for high-performance aqueous magnesium ion capacitors 用于高性能水性镁离子电容器的具有双离子缺陷的 MnS/MnO 异质结构

IF 15.8 1区材料科学

Journal of Magnesium and Alloys Pub Date : 2025-01-01 DOI: 10.1016/j.jma.2024.04.036

Minghui Liu , Mudi Li , Siwen Zhang , Yaxi Ding , Ying Sun , Jiazhuo Li , Haixi Gu , Bosi Yin , Hui Li , Tianyi Ma

{"title":"MnS/MnO heterostructures with dual ion defects for high-performance aqueous magnesium ion capacitors","authors":"Minghui Liu , Mudi Li , Siwen Zhang , Yaxi Ding , Ying Sun , Jiazhuo Li , Haixi Gu , Bosi Yin , Hui Li , Tianyi Ma","doi":"10.1016/j.jma.2024.04.036","DOIUrl":"10.1016/j.jma.2024.04.036","url":null,"abstract":"<div><div>The advancement of aqueous magnesium ion energy storage devices encounters limitations due to the substantial hydration radius of magnesium ions (Mg<sup>2+</sup>) and their strong electrostatic interaction with the primary material. Consequently, this study successfully developed a MnS/MnO heterostructure through a straightforward hydrothermal and annealing method, marking its initial application in aqueous magnesium ion capacitors (AMICs). The fabricated MnS/MnO heterostructure, characterized by S defects, also generates Mn defects via in-situ initiation of early electrochemical processes. This unique dual ion defects MnS/MnO heterostructure (DID-MnS/MnO) enables the transformation of MnS and MnO, initially not highly active electrochemically for Mg<sup>2+</sup>, into cathode materials exhibiting high electrochemical activity and superior performance. Moreover, DID-MnS/MnO enhances conductivity, improves the kinetics of surface redox reactions, and increases the diffusion rate of Mg<sup>2+</sup>. Furthermore, this study introduces a dual energy storage mechanism for DID-MnS/MnO, which, in conjunction with dual ion defects, offers additional active sites for Mg<sup>2+</sup> insertion/deinsertion in the host material, mitigating volume expansion and structural degradation during repeated charge-discharge cycles, thereby significantly enhancing cycling reversibility. As anticipated, using a three-electrode system, the developed DID-MnS/MnO demonstrated a discharge specific capacity of 237.9 mAh/g at a current density of 0.1 A/g. Remarkably, the constructed AMIC maintained a capacity retention rate of 94.3% after 10000 cycles at a current density of 1.0 A/g, with a specific capacitance of 165.7 F/g. Hence, DID-MnS/MnO offers insightful perspectives for designing alternative clean energy sources and is expected to contribute significantly to the advancement of the clean energy sector.</div></div>","PeriodicalId":16214,"journal":{"name":"Journal of Magnesium and Alloys","volume":"13 1","pages":"Pages 219-228"},"PeriodicalIF":15.8,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141142475","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Recent advances on the oxide film of ignition-proof magnesium alloys: A review 防燃镁合金氧化膜的最新进展：综述

IF 15.8 1区材料科学

Journal of Magnesium and Alloys Pub Date : 2025-01-01 DOI: 10.1016/j.jma.2024.05.018

Jiaxuan Han, Bo Hu, Zhenfei Jiang, Fanjin Yao, Zixin Li, Dejiang Li, Xiaoqin Zeng, Wenjiang Ding

{"title":"Recent advances on the oxide film of ignition-proof magnesium alloys: A review","authors":"Jiaxuan Han, Bo Hu, Zhenfei Jiang, Fanjin Yao, Zixin Li, Dejiang Li, Xiaoqin Zeng, Wenjiang Ding","doi":"10.1016/j.jma.2024.05.018","DOIUrl":"10.1016/j.jma.2024.05.018","url":null,"abstract":"<div><div>Magnesium and its alloys offer lightweight advantage and have extensive development prospects, particularly in aerospace. However, their flammability poses a significant barrier on the development of Mg alloys. The ignition resistance of these alloys often depends on the protectiveness of the oxide film formed on the surface. This paper elucidates the formation mechanism of oxide film from thermodynamics and kinetics, classifying oxide films based on their layered structure to assess their protective properties. Furthermore, it comprehensively reviews the impact of characteristics on the protective effectiveness such as compactness, continuity, thickness, and mechanical properties. The paper also introduces various characterization methods for the microstructure and properties of oxide film. The primary objective of this paper is to enhance the comprehension of oxide film concerning the ignition resistance of Mg alloys and to furnish references for future advancements and research in Mg alloys with heightened ignition resistance.</div></div>","PeriodicalId":16214,"journal":{"name":"Journal of Magnesium and Alloys","volume":"13 1","pages":"Pages 4-29"},"PeriodicalIF":15.8,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141399342","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Optimization of corrosion resistance of AZ31 Mg alloy through hydration-driven interaction between quinolin-8-ol and plasma electrolytic oxidation-formed MgO layer 通过喹啉-8-醇与等离子电解氧化形成的氧化镁层之间的水合作用优化 AZ31 镁合金的耐腐蚀性能

IF 15.8 1区材料科学

Journal of Magnesium and Alloys Pub Date : 2025-01-01 DOI: 10.1016/j.jma.2024.12.023

Mosab Kaseem , Talitha Tara Thanaa , Ananda Repycha Safira , Alireza Askari , Arash Fattah-alhosseini

{"title":"Optimization of corrosion resistance of AZ31 Mg alloy through hydration-driven interaction between quinolin-8-ol and plasma electrolytic oxidation-formed MgO layer","authors":"Mosab Kaseem , Talitha Tara Thanaa , Ananda Repycha Safira , Alireza Askari , Arash Fattah-alhosseini","doi":"10.1016/j.jma.2024.12.023","DOIUrl":"10.1016/j.jma.2024.12.023","url":null,"abstract":"<div><div>This study presents a novel approach to improving the anticorrosive performance of AZ31 Mg alloy by exploiting the role of the hydration reaction to induce interactions between Quinolin-8-ol (8HQ) molecules and the porous MgO layer formed via plasma electrolytic oxidation (PEO). The AZ31 Mg alloy, initially coated with a PEO layer, underwent a dipping treatment in an ethanolic solution of 0.05 M 8HQ at 50 °C for 3 h. The results were compared with those from a different procedure where the PEO layer was subjected to a hydration reaction for 2 h at 90 °C before immersion in the 8HQ solution under the same conditions. The hydration treatment played a crucial role by converting MgO to Mg(OH)₂, significantly enhancing the surface reactivity. This transformation introduced hydroxyl groups (−OH) on the surface, which facilitated donor-acceptor interactions with the electron-accepting sites on 8HQ molecules. The calculated binding energy (E<sub>binding</sub>) from DFT indicated that the interaction energy of 8HQ with Mg(OH)₂ was lower compared to 8HQ with MgO, suggesting easier adsorption of 8HQ molecules on the hydrated surface. This, combined with the increased number of active sites and enhanced surface area, allowed for extensive surface coverage by 8HQ, leading to the formation of a stable, flake-like protective layer that sealed the majority of pores on the PEO layer. DFT calculations further suggested that the hydration treatment provided multiple active sites, enabling effective contact with 8HQ and rapid electron transfer, creating ideal conditions for charge-transfer-induced physical and chemical bonding. This study shows that hydration and 8HQ treatments significantly enhance the corrosion resistance of Mg alloys, highlighting their potential for advanced anticorrosive coatings.</div></div>","PeriodicalId":16214,"journal":{"name":"Journal of Magnesium and Alloys","volume":"13 1","pages":"Pages 71-82"},"PeriodicalIF":15.8,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142974812","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Deep removal impurities in the process of preparing high-purity magnesium by vacuum gasification 真空气化法制备高纯镁过程中杂质的深度去除

IF 17.6 1区材料科学

Journal of Magnesium and Alloys Pub Date : 2024-12-30 DOI: 10.1016/j.jma.2024.11.010

Dong Liang, Lipeng Wang, Tingzhuang Ma, Rong Yu, Yang Tian, Baoqiang Xu, Bin Yang

{"title":"Deep removal impurities in the process of preparing high-purity magnesium by vacuum gasification","authors":"Dong Liang, Lipeng Wang, Tingzhuang Ma, Rong Yu, Yang Tian, Baoqiang Xu, Bin Yang","doi":"10.1016/j.jma.2024.11.010","DOIUrl":"https://doi.org/10.1016/j.jma.2024.11.010","url":null,"abstract":"Magnesium (Mg), as one of the most abundant elements in earth's crust, is the lightest structural metal with extensive applications across various industries. However, the performance of Mg-based products is highly dependent on their impurity levels, and the lack of high-purity Mg, along with efficient purification method, has posed significant challenge to its widespread industrial adoption. This study investigates the impurity behavior in Mg ingots during the vacuum gasification purification process. Through the analysis of binary phase diagrams, iron (Fe)-based foam material was selected for the filtration and purification of Mg vapor in a vacuum tube furnace. A novel approach combining vacuum gasification, vapor purification, and directional condensation is proposed. The effect of filter pore sizes and filtration temperatures on the efficacy of impurity removal was evaluated. Experimental results demonstrate that Fe-based foam with a pore size of 60 ppi, at a filtration temperature of 773 K, effectively removes impurities such as calcium (Ca), potassium (K), sodium (Na), manganese (Mn), silicon (Si), aluminum (Al), and various oxides, sulfides, and chlorides from the vapor phase. Consequently, high-purity Mg with a purity level exceeding 5N3 was obtained in the condensation zone.","PeriodicalId":16214,"journal":{"name":"Journal of Magnesium and Alloys","volume":"83 1","pages":""},"PeriodicalIF":17.6,"publicationDate":"2024-12-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142902149","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Modifying hydrogen storage properties of the RE−Mg-based alloys with minor Sc addition 微量Sc对RE−mg基合金储氢性能的影响

IF 17.6 1区材料科学

Journal of Magnesium and Alloys Pub Date : 2024-12-23 DOI: 10.1016/j.jma.2024.11.034

Hanfeng Sun, Peng Sheng, Jun Li, Shihai Guo, Qilu Ge, Yanghuan Zhang

{"title":"Modifying hydrogen storage properties of the RE−Mg-based alloys with minor Sc addition","authors":"Hanfeng Sun, Peng Sheng, Jun Li, Shihai Guo, Qilu Ge, Yanghuan Zhang","doi":"10.1016/j.jma.2024.11.034","DOIUrl":"https://doi.org/10.1016/j.jma.2024.11.034","url":null,"abstract":"To address the challenges posed by high reaction temperatures and the slow kinetics of Mg-based alloys with high hydrogen storage density, Mg−RE−TM (RE = rare earth, TM = metallic element) alloys have been extensively researched and hold great promise. In this study, a series of Mg−RE−TM based Mg<sub>90</sub>Y<sub>2</sub>Ce<sub>2</sub>Ni<sub>3</sub>Al<sub>3-</sub><em><sub>x</sub></em>Sc<em><sub>x</sub></em> (<em>x</em> = 0, 0.3, 0.6, 0.9, 1.2) alloys were prepared. The addition of Sc element has been found to enhance the activation and kinetic properties of the alloy. Compared with the significant differences in the first four dehydrogenation curves of the Sc0 sample, the first activated dehydrogenation curve of the Sc1.2 alloy overlaps with the fully activated dehydrogenation curve. The dehydrogenation activation energy decreased from 96.56 kJ/mol in the Sc0 alloy to 63.69 kJ/mol in the Sc0.9 alloy. Through analysis of the microstructure, phase composition, and hydrogen absorption and desorption kinetics of the alloy, the mechanisms for improving the hydrogen storage properties of the alloy were elucidated. The nucleation-growth-impingement Avrami model was employed to accurately simulate the hydrogen storage kinetics. The results showed that stage II was prolonged and accelerated at high temperature, and the growth rate and hydrogen storage of stage I were increased at low temperature in hydrogen absorption. Microstructure analysis revealed the presence of Mg, CeMg<sub>12</sub>, Mg<sub>47</sub>Y, and YNi<sub>2</sub>Al<sub>3</sub> phases in the Sc0 sample. Upon the addition of Sc element, a new phase, ScNiAl, was formed, and the coarse grain size of the main phase was significantly refined. This refinement provides faster diffusion channels for hydrogen atoms, accelerating the phase transition between Mg alloys and hydrides. The microstructure changes explain the improved activation properties, effective hydrogen absorption and desorption capacity, and kinetic properties of the Mg-based samples.","PeriodicalId":16214,"journal":{"name":"Journal of Magnesium and Alloys","volume":"85 1","pages":""},"PeriodicalIF":17.6,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142874655","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

A surface emphasized multi-task learning framework for surface property predictions: A case study of magnesium intermetallics 用于表面性质预测的表面强调多任务学习框架：镁金属间化合物的案例研究

IF 17.6 1区材料科学

Journal of Magnesium and Alloys Pub Date : 2024-12-19 DOI: 10.1016/j.jma.2024.12.005

Gaoning Shi, Yaowei Wang, Kun Yang, Yuan Qiu, Hong Zhu, Xiaoqin Zeng

{"title":"A surface emphasized multi-task learning framework for surface property predictions: A case study of magnesium intermetallics","authors":"Gaoning Shi, Yaowei Wang, Kun Yang, Yuan Qiu, Hong Zhu, Xiaoqin Zeng","doi":"10.1016/j.jma.2024.12.005","DOIUrl":"https://doi.org/10.1016/j.jma.2024.12.005","url":null,"abstract":"Surface properties of crystals are critical in many fields, including electrochemistry and photoelectronics, the efficient prediction of which can expedite the design and optimization of catalysts, batteries, alloys etc. However, we are still far from realizing this vision due to the rarity of surface property-related databases, especially for multicomponent compounds, due to the large sample spaces and limited computing resources. In this work, we present a surface emphasized multi-task crystal graph convolutional neural network (SEM-CGCNN) to predict multiple surface properties simultaneously from crystal structures. The model is evaluated on a dataset of 3526 surface energies and work functions of binary magnesium intermetallics obtained through first-principles calculations, and obvious improvements are observed both in efficiency and accuracy over the original CGCNN model. By transferring the pre-trained model to the datasets of pure metals and other intermetallics, the fine-tuned SEM-CGCNN outperforms learning from scratch and can be further applied to other surface properties and materials systems. This study could be a paradigm for the end-to-end mapping of atomic structures to anisotropic surface properties of crystals, which provides an efficient framework to understand and screen materials with desired surface characteristics.","PeriodicalId":16214,"journal":{"name":"Journal of Magnesium and Alloys","volume":"41 1","pages":""},"PeriodicalIF":17.6,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142848859","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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