Pub Date : 2024-12-19DOI: 10.1016/j.jma.2024.12.005
Gaoning Shi, Yaowei Wang, Kun Yang, Yuan Qiu, Hong Zhu, Xiaoqin Zeng
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.
{"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}
Pub Date : 2024-12-19DOI: 10.1016/j.jma.2024.12.008
Lu Zhang, Qian Yuan, Jun Tan, Quan Dong, Hao Lv, Fanglei Wang, Aitao Tang, Jürgen Eckert, Fusheng Pan
The room-temperature plasticity of magnesium and its alloys is limited primarily by their hexagonal close-packed (HCP) crystal structure, which restricts the number of active slip systems available at room temperature. This limitation hinders their broader application in various industries. Consequently, enhancing the room-temperature plasticity of magnesium alloys is essential for expanding their usage. This review provides a comprehensive overview of the underlying mechanisms and strategies for enhancing room-temperature plasticity in magnesium alloys. The first section emphasizes the importance of improving plasticity in these materials. The second section uses bibliometric analysis to identify key research trends and emerging hotspots in the field. The third section explores the deformation mechanisms and factors that influence room-temperature plasticity. The fourth section discusses various methods for enhancing plasticity. The fifth section focuses on achieving a balance between strength and plasticity. Finally, the review concludes with insights into future prospects and challenges, offering guidance for the development of high-plasticity magnesium alloys and serving as a resource for both research and industrial applications.
{"title":"Enhancing the room-temperature plasticity of magnesium alloys: Mechanisms and strategies","authors":"Lu Zhang, Qian Yuan, Jun Tan, Quan Dong, Hao Lv, Fanglei Wang, Aitao Tang, Jürgen Eckert, Fusheng Pan","doi":"10.1016/j.jma.2024.12.008","DOIUrl":"https://doi.org/10.1016/j.jma.2024.12.008","url":null,"abstract":"The room-temperature plasticity of magnesium and its alloys is limited primarily by their hexagonal close-packed (HCP) crystal structure, which restricts the number of active slip systems available at room temperature. This limitation hinders their broader application in various industries. Consequently, enhancing the room-temperature plasticity of magnesium alloys is essential for expanding their usage. This review provides a comprehensive overview of the underlying mechanisms and strategies for enhancing room-temperature plasticity in magnesium alloys. The first section emphasizes the importance of improving plasticity in these materials. The second section uses bibliometric analysis to identify key research trends and emerging hotspots in the field. The third section explores the deformation mechanisms and factors that influence room-temperature plasticity. The fourth section discusses various methods for enhancing plasticity. The fifth section focuses on achieving a balance between strength and plasticity. Finally, the review concludes with insights into future prospects and challenges, offering guidance for the development of high-plasticity magnesium alloys and serving as a resource for both research and industrial applications.","PeriodicalId":16214,"journal":{"name":"Journal of Magnesium and Alloys","volume":"11 1","pages":""},"PeriodicalIF":17.6,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142848858","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}
The work is conducted to uncover and simulate the dependence of the evolving anisotropic-asymmetric yield behavior on the temperature for an Mg-Gd-Y alloy. Experiments were carried out at 25∼300 °C, including uniaxial tension and compression. The strength is observed to decrease non-linearly as the temperature increases. Thermal softening effect is not significant when the temperature is lower than 200 °C, but the strength decreases dramatically at high temperature than 250 °C. Tension-compression asymmetry and anisotropy are observed to be strongly and nonlinearly dependent on strain and temperature. The temperature effect is taken into account in a combined Swift-Voce (SVT) model to predict the temperature-dependent strain hardening behavior with a higher accuracy than the traditional Johnson-Cook and Zerilli-Armstrong equations. An analytical Yoon2014 (A-Yoon2014) yield function is established to capture the evolving anisotropic-asymmetric behavior with respect to strain and temperature. The predicted force-stroke curves of the A-Yoon2014+SVT model are closer to the experimental results of the three-point bending process than the numerical results of the original Yoon2014+SVT model. Given its user-friendliness and high accuracy for the modeling of temperature-dependent anisotropic-asymmetric hardening behavior, the A-Yoon2014+SVT model is recommended to be utilized in the numerical simulation of plastic forming process for hexagonal close-packed metals.
{"title":"Analytical model to characterize temperature-dependent anisotropic-asymmetric behavior of Mg-Gd-Y alloy","authors":"Pengfei Wu, Qiang Chen, Liucheng Zhou, Xiaoqing Liang, Yanshan Lou","doi":"10.1016/j.jma.2024.11.035","DOIUrl":"https://doi.org/10.1016/j.jma.2024.11.035","url":null,"abstract":"The work is conducted to uncover and simulate the dependence of the evolving anisotropic-asymmetric yield behavior on the temperature for an Mg-Gd-Y alloy. Experiments were carried out at 25∼300 °C, including uniaxial tension and compression. The strength is observed to decrease non-linearly as the temperature increases. Thermal softening effect is not significant when the temperature is lower than 200 °C, but the strength decreases dramatically at high temperature than 250 °C. Tension-compression asymmetry and anisotropy are observed to be strongly and nonlinearly dependent on strain and temperature. The temperature effect is taken into account in a combined Swift-Voce (SVT) model to predict the temperature-dependent strain hardening behavior with a higher accuracy than the traditional Johnson-Cook and Zerilli-Armstrong equations. An analytical Yoon2014 (A-Yoon2014) yield function is established to capture the evolving anisotropic-asymmetric behavior with respect to strain and temperature. The predicted force-stroke curves of the A-Yoon2014+SVT model are closer to the experimental results of the three-point bending process than the numerical results of the original Yoon2014+SVT model. Given its user-friendliness and high accuracy for the modeling of temperature-dependent anisotropic-asymmetric hardening behavior, the A-Yoon2014+SVT model is recommended to be utilized in the numerical simulation of plastic forming process for hexagonal close-packed metals.","PeriodicalId":16214,"journal":{"name":"Journal of Magnesium and Alloys","volume":"10 1","pages":""},"PeriodicalIF":17.6,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142857839","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}
Pub Date : 2024-12-19DOI: 10.1016/j.jma.2024.12.009
Daniel Gajda, Michał Babij, Andrzej Zaleski, Doğan Avci, Fırat Karaboga, Hakan Yetis, Ibrahim Belenli, Dariusz Zasada, Damian Szymański, Małgorzata Małecka, Wojciech Gil, Tomasz Czujko
This study reports results for the morphology, crystal structure and critical parameters of Sm2O3-doped MgB2 wires with low and high initial filling densities. The transmission electron microscope (TEM) images were done for the longitudinal section of MgB2 wires. The results show that the Sm2O3 admixture significantly changes the morphology of the MgB2 material, accelerates the formation of the MgB2 phase, does not form rectangular MgB2 crystallites, does not leave pure Mg, and forms Sm2O3 areas of 10 nm and 20 nm. The effects of Sm2O3 addition on MgB2 formation in superconducting wires were revealed in detail in this study. Additionally, Sm2O3 causes the formation of point pinning regions that significantly increase the critical transport current density at the temperature range from 15 K to 30 K. The TEM images point out that rectangular MgB2 crystallites are formed in undoped MgB2 wires, which have not been previously reported. XRPD results showed that short-term heating allowed obtaining a larger amount of MgB2 phase for the MgB2 wire with high initial filling density. On the other hand, long heating time and high initial density slow down the creation of MgB2 phase when the Mg is in the solid state.
{"title":"The influence of Sm2O3 dopant on structure, morphology and transport critical current density of MgB2 wires investigated by using the transmission electron microscope","authors":"Daniel Gajda, Michał Babij, Andrzej Zaleski, Doğan Avci, Fırat Karaboga, Hakan Yetis, Ibrahim Belenli, Dariusz Zasada, Damian Szymański, Małgorzata Małecka, Wojciech Gil, Tomasz Czujko","doi":"10.1016/j.jma.2024.12.009","DOIUrl":"https://doi.org/10.1016/j.jma.2024.12.009","url":null,"abstract":"This study reports results for the morphology, crystal structure and critical parameters of Sm<sub>2</sub>O<sub>3</sub>-doped MgB<sub>2</sub> wires with low and high initial filling densities. The transmission electron microscope (TEM) images were done for the longitudinal section of MgB<sub>2</sub> wires. The results show that the Sm<sub>2</sub>O<sub>3</sub> admixture significantly changes the morphology of the MgB<sub>2</sub> material, accelerates the formation of the MgB<sub>2</sub> phase, does not form rectangular MgB<sub>2</sub> crystallites, does not leave pure Mg, and forms Sm<sub>2</sub>O<sub>3</sub> areas of 10 nm and 20 nm. The effects of Sm<sub>2</sub>O<sub>3</sub> addition on MgB<sub>2</sub> formation in superconducting wires were revealed in detail in this study. Additionally, Sm<sub>2</sub>O<sub>3</sub> causes the formation of point pinning regions that significantly increase the critical transport current density at the temperature range from 15 K to 30 K. The TEM images point out that rectangular MgB<sub>2</sub> crystallites are formed in undoped MgB<sub>2</sub> wires, which have not been previously reported. XRPD results showed that short-term heating allowed obtaining a larger amount of MgB<sub>2</sub> phase for the MgB<sub>2</sub> wire with high initial filling density. On the other hand, long heating time and high initial density slow down the creation of MgB<sub>2</sub> phase when the Mg is in the solid state.","PeriodicalId":16214,"journal":{"name":"Journal of Magnesium and Alloys","volume":"1 1","pages":""},"PeriodicalIF":17.6,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142848860","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}
Pub Date : 2024-12-19DOI: 10.1016/j.jma.2024.11.032
Qin Li, Honghui Xu, Lijun Zhang
Alloying with Gd and Ag can significantly enhance the comprehensive properties of magnesium alloys, and accurate phase equilibria are a necessity for advanced alloy design. However, literature review reveals limited information on the phase equilibria in the ternary Mg–Gd–Ag system. Thus, in this paper, the phase equilibria of the ternary Mg–Gd–Ag system in the region of 0–50 at.% Gd at 450 °C and 500 °C were investigated by combining the electron probe microanalysis and X-ray diffraction of totally 66 equilibrated alloys, with two isothermal sections at 450 °C and 500 °C established accordingly; and relatively high solid solubility of Ag in GdMg<sub>3</sub> was characterized. Moreover, seven ternary compounds (denoted as τ<sub>1</sub> to τ<sub>7</sub>) were found, and their crystal structures were refined by using Rietveld method. The τ<sub>1</sub> was identical to the previously reported X phase with a diamond-cubic structure, while the remaining six ternary compounds (τ<sub>2</sub> to τ<sub>7</sub>) were newly found. The seven ternary compounds (τ<sub>1</sub> to τ<sub>7</sub>) are among the space groups of Fd<span><span style=""></span><span data-mathml='<math xmlns="http://www.w3.org/1998/Math/MathML"><mover accent="true" is="true"><mn is="true">3</mn><mo is="true">¯</mo></mover></math>' role="presentation" style="font-size: 90%; display: inline-block; position: relative;" tabindex="0"><svg aria-hidden="true" focusable="false" height="2.202ex" role="img" style="vertical-align: -0.235ex;" viewbox="0 -846.5 570.5 947.9" width="1.325ex" xmlns:xlink="http://www.w3.org/1999/xlink"><g fill="currentColor" stroke="currentColor" stroke-width="0" transform="matrix(1 0 0 -1 0 0)"><g is="true"><g is="true" transform="translate(35,0)"><use xlink:href="#MJMAIN-33"></use></g><g is="true" transform="translate(0,197)"><use x="-70" xlink:href="#MJMAIN-AF" y="0"></use><use x="70" xlink:href="#MJMAIN-AF" y="0"></use></g></g></g></svg><span role="presentation"><math xmlns="http://www.w3.org/1998/Math/MathML"><mover accent="true" is="true"><mn is="true">3</mn><mo is="true">¯</mo></mover></math></span></span><script type="math/mml"><math><mover accent="true" is="true"><mn is="true">3</mn><mo is="true">¯</mo></mover></math></script></span>m (τ<sub>1</sub>), P4/nmm (τ<sub>2</sub>), P6<sub>3</sub>mc (τ<sub>3</sub>), P6<sub>3</sub>mc (τ<sub>4</sub>), Pmn2<sub>1</sub> (τ<sub>5</sub>), P<span><span style=""></span><span data-mathml='<math xmlns="http://www.w3.org/1998/Math/MathML"><mover accent="true" is="true"><mn is="true">6</mn><mo is="true">¯</mo></mover></math>' role="presentation" style="font-size: 90%; display: inline-block; position: relative;" tabindex="0"><svg aria-hidden="true" focusable="false" height="2.202ex" role="img" style="vertical-align: -0.235ex;" viewbox="0 -846.5 570.5 947.9" width="1.325ex" xmlns:xlink="http://www.w3.org/1999/xlink"><g
{"title":"Phase equilibria and crystal structures of ternary compounds in the Mg–Gd–Ag system over a composition range of 0–50 at.% Gd at 450 and 500 °C","authors":"Qin Li, Honghui Xu, Lijun Zhang","doi":"10.1016/j.jma.2024.11.032","DOIUrl":"https://doi.org/10.1016/j.jma.2024.11.032","url":null,"abstract":"Alloying with Gd and Ag can significantly enhance the comprehensive properties of magnesium alloys, and accurate phase equilibria are a necessity for advanced alloy design. However, literature review reveals limited information on the phase equilibria in the ternary Mg–Gd–Ag system. Thus, in this paper, the phase equilibria of the ternary Mg–Gd–Ag system in the region of 0–50 at.% Gd at 450 °C and 500 °C were investigated by combining the electron probe microanalysis and X-ray diffraction of totally 66 equilibrated alloys, with two isothermal sections at 450 °C and 500 °C established accordingly; and relatively high solid solubility of Ag in GdMg<sub>3</sub> was characterized. Moreover, seven ternary compounds (denoted as τ<sub>1</sub> to τ<sub>7</sub>) were found, and their crystal structures were refined by using Rietveld method. The τ<sub>1</sub> was identical to the previously reported X phase with a diamond-cubic structure, while the remaining six ternary compounds (τ<sub>2</sub> to τ<sub>7</sub>) were newly found. The seven ternary compounds (τ<sub>1</sub> to τ<sub>7</sub>) are among the space groups of Fd<span><span style=\"\"></span><span data-mathml='<math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mover accent=\"true\" is=\"true\"><mn is=\"true\">3</mn><mo is=\"true\">&#xAF;</mo></mover></math>' role=\"presentation\" style=\"font-size: 90%; display: inline-block; position: relative;\" tabindex=\"0\"><svg aria-hidden=\"true\" focusable=\"false\" height=\"2.202ex\" role=\"img\" style=\"vertical-align: -0.235ex;\" viewbox=\"0 -846.5 570.5 947.9\" width=\"1.325ex\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g fill=\"currentColor\" stroke=\"currentColor\" stroke-width=\"0\" transform=\"matrix(1 0 0 -1 0 0)\"><g is=\"true\"><g is=\"true\" transform=\"translate(35,0)\"><use xlink:href=\"#MJMAIN-33\"></use></g><g is=\"true\" transform=\"translate(0,197)\"><use x=\"-70\" xlink:href=\"#MJMAIN-AF\" y=\"0\"></use><use x=\"70\" xlink:href=\"#MJMAIN-AF\" y=\"0\"></use></g></g></g></svg><span role=\"presentation\"><math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mover accent=\"true\" is=\"true\"><mn is=\"true\">3</mn><mo is=\"true\">¯</mo></mover></math></span></span><script type=\"math/mml\"><math><mover accent=\"true\" is=\"true\"><mn is=\"true\">3</mn><mo is=\"true\">¯</mo></mover></math></script></span>m (τ<sub>1</sub>), P4/nmm (τ<sub>2</sub>), P6<sub>3</sub>mc (τ<sub>3</sub>), P6<sub>3</sub>mc (τ<sub>4</sub>), Pmn2<sub>1</sub> (τ<sub>5</sub>), P<span><span style=\"\"></span><span data-mathml='<math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mover accent=\"true\" is=\"true\"><mn is=\"true\">6</mn><mo is=\"true\">&#xAF;</mo></mover></math>' role=\"presentation\" style=\"font-size: 90%; display: inline-block; position: relative;\" tabindex=\"0\"><svg aria-hidden=\"true\" focusable=\"false\" height=\"2.202ex\" role=\"img\" style=\"vertical-align: -0.235ex;\" viewbox=\"0 -846.5 570.5 947.9\" width=\"1.325ex\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g ","PeriodicalId":16214,"journal":{"name":"Journal of Magnesium and Alloys","volume":"7 1","pages":""},"PeriodicalIF":17.6,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142848906","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}
This study explores the potential of Mg/Carbon Nanotubes/Baghdadite composites as biomaterials for bone regeneration and repair while addressing the obstacles to their clinical application. BAG powder was synthesized using the sol-gel method to ensure a fine distribution within the Mg/CNTs matrix. Mg/1.5 wt.% CNT composites were reinforced with BAG at weight fractions of 0.5, 1.0, and 1.5 wt.% using spark plasma sintering at 450 °C and 50 MPa after homogenization via ball milling. The cellular bioactivity of these nanocomposites was evaluated using human osteoblast-like cells and adipose-derived mesenchymal stromal cells. The proliferation and attachment of MG-63 cells were assessed and visualized using the methylthiazol tetrazolium (MTT) assay and SEM, while AD-MSC differentiation was measured using alkaline phosphatase activity assays. Histograms were also generated to visualize the diameter distributions of particles in SEM images using image processing techniques. The Mg/CNTs/0.5 wt.% BAG composite demonstrated optimal mechanical properties, with compressive strength, yield strength, and fracture strain of 259.75 MPa, 180.25 MPa, and 31.65 %, respectively. Machine learning models, including CNN, LSTM, and GRU, were employed to predict stress-strain relationships across varying BAG amounts, aiming to accurately model these curves without requiring extensive physical experiments. As shown by contact angle measurements, enhanced hydrophilicity promoted better cell adhesion and proliferation. Furthermore, corrosion resistance improved with a higher BAG content. This study concludes that Mg/CNTs composites reinforced with BAG concentrations below 1.0 wt.% offer promising biodegradable implant materials for orthopedic applications, featuring adequate load-bearing capacity and improved corrosion resistance.
{"title":"Fabrication and characterization of magnesium-based nanocomposites reinforced with Baghdadite and carbon nanotubes for orthopaedical applications","authors":"Mojtaba Ansari, Shiva Mahdavikia, Hossein Eslami, Mozhdeh Saghalaini, Hamid Taghipour, Fatemeh Zare, Shahin Shirani, Mohammad Hossein Alizadeh Roknabadi","doi":"10.1016/j.jma.2024.12.004","DOIUrl":"https://doi.org/10.1016/j.jma.2024.12.004","url":null,"abstract":"This study explores the potential of Mg/Carbon Nanotubes/Baghdadite composites as biomaterials for bone regeneration and repair while addressing the obstacles to their clinical application. BAG powder was synthesized using the sol-gel method to ensure a fine distribution within the Mg/CNTs matrix. Mg/1.5 wt.% CNT composites were reinforced with BAG at weight fractions of 0.5, 1.0, and 1.5 wt.% using spark plasma sintering at 450 °C and 50 MPa after homogenization via ball milling. The cellular bioactivity of these nanocomposites was evaluated using human osteoblast-like cells and adipose-derived mesenchymal stromal cells. The proliferation and attachment of MG-63 cells were assessed and visualized using the methylthiazol tetrazolium (MTT) assay and SEM, while AD-MSC differentiation was measured using alkaline phosphatase activity assays. Histograms were also generated to visualize the diameter distributions of particles in SEM images using image processing techniques. The Mg/CNTs/0.5 wt.% BAG composite demonstrated optimal mechanical properties, with compressive strength, yield strength, and fracture strain of 259.75 MPa, 180.25 MPa, and 31.65 %, respectively. Machine learning models, including CNN, LSTM, and GRU, were employed to predict stress-strain relationships across varying BAG amounts, aiming to accurately model these curves without requiring extensive physical experiments. As shown by contact angle measurements, enhanced hydrophilicity promoted better cell adhesion and proliferation. Furthermore, corrosion resistance improved with a higher BAG content. This study concludes that Mg/CNTs composites reinforced with BAG concentrations below 1.0 wt.% offer promising biodegradable implant materials for orthopedic applications, featuring adequate load-bearing capacity and improved corrosion resistance.","PeriodicalId":16214,"journal":{"name":"Journal of Magnesium and Alloys","volume":"23 1","pages":""},"PeriodicalIF":17.6,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142848857","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}
Exploiting high-performance electrolyte holds the key for realization practical application of rechargeable magnesium batteries (RMBs). Herein, a new non-nucleophilic mononuclear electrolyte was developed and its electrochemical active species was identified as [Mg(DME)3][GaCl4]2 through single-crystal X-ray diffraction analysis. The as-synthesized Mg(GaCl4)2-IL-DME electrolyte could achieve a high ionic conductivity (9.85 mS cm−1), good anodic stability (2.9 V vs. Mg/Mg2+), and highly reversible Mg plating/stripping. The remarkable electrochemical performance should be attributed to the in-situ formation of Mg2+-conducting Ga5Mg2 alloy layer at the Mg/electrolyte interface during electrochemical cycling, which not only efficiently protects the Mg anode from passivation, but also allows for rapid Mg-ion transport. Significantly, the Mg(GaCl4)2-IL-DME electrolyte showed excellent compatibility with both conversion and intercalation cathodes. The Mg/S batteries with Mg(GaCl4)2-IL-DME electrolyte and KB/S cathode showed a high specific capacity of 839 mAh g−1 after 50 cycles at 0.1 C with the Coulombic efficiency of ∼100 %. Moreover, the assembled Mg||Mo6S8 batteries delivered a reversible discharge capacity of 85 mAh g−1 after 120 cycles at 0.2 C. This work provides a universal electrolyte for the realization of high-performance and practical RMBs, especially Mg/S batteries.
开发高性能电解质是实现可充电镁电池实际应用的关键。本文开发了一种新型非亲核单核电解质，并通过单晶 X 射线衍射分析确定其电化学活性物种为 [Mg(DME)3][GaCl4]2。所合成的 Mg(GaCl4)2-IL-DME 电解质具有较高的离子电导率（9.85 mS cm-1）、良好的阳极稳定性（2.9 V vs. Mg/Mg2+）和高度可逆的镁电镀/剥离。出色的电化学性能应归功于电化学循环过程中在镁/电解质界面上原位形成的 Mg2+ 导电 Ga5Mg2 合金层，它不仅能有效保护镁阳极免受钝化，还能使镁离子快速传输。值得注意的是，Mg(GaCl4)2-IL-DME 电解质与转换阴极和插层阴极都表现出了极佳的兼容性。使用 Mg(GaCl4)2-IL-DME 电解质和 KB/S 阴极的 Mg/S 电池在 0.1 C 下循环 50 次后，比容量高达 839 mAh g-1，库仑效率达到 100%。此外，组装好的 Mg||Mo6S8 电池在 0.2 摄氏度下循环 120 次后，其可逆放电容量为 85 mAh g-1。这项研究为实现高性能和实用的人民币电池，尤其是 Mg/S 电池，提供了一种通用电解质。
{"title":"Ga5Mg2 alloy solid electrolyte interphase in-situ formed in [Mg(DME)3][GaCl4]2/PYR14TFSI/DME electrolyte enables high-performance rechargeable magnesium batteries","authors":"Miao Cheng, Yabing Li, Jiaming Shi, Qianqian Liu, Ruirui Wang, Wujun Ma, Bo Liu, Muzi Chen, Wanfei Li, Yuegang Zhang","doi":"10.1016/j.jma.2024.12.003","DOIUrl":"https://doi.org/10.1016/j.jma.2024.12.003","url":null,"abstract":"Exploiting high-performance electrolyte holds the key for realization practical application of rechargeable magnesium batteries (RMBs). Herein, a new non-nucleophilic mononuclear electrolyte was developed and its electrochemical active species was identified as [Mg(DME)<sub>3</sub>][GaCl<sub>4</sub>]<sub>2</sub> through single-crystal X-ray diffraction analysis. The as-synthesized Mg(GaCl<sub>4</sub>)<sub>2</sub>-IL-DME electrolyte could achieve a high ionic conductivity (9.85 mS cm<sup>−1</sup>), good anodic stability (2.9 V vs. Mg/Mg<sup>2+</sup>), and highly reversible Mg plating/stripping. The remarkable electrochemical performance should be attributed to the in-situ formation of Mg<sup>2+</sup>-conducting Ga<sub>5</sub>Mg<sub>2</sub> alloy layer at the Mg/electrolyte interface during electrochemical cycling, which not only efficiently protects the Mg anode from passivation, but also allows for rapid Mg-ion transport. Significantly, the Mg(GaCl<sub>4</sub>)<sub>2</sub>-IL-DME electrolyte showed excellent compatibility with both conversion and intercalation cathodes. The Mg/S batteries with Mg(GaCl<sub>4</sub>)<sub>2</sub>-IL-DME electrolyte and KB/S cathode showed a high specific capacity of 839 mAh <em>g</em><sup>−1</sup> after 50 cycles at 0.1 C with the Coulombic efficiency of ∼100 %. Moreover, the assembled Mg||Mo<sub>6</sub>S<sub>8</sub> batteries delivered a reversible discharge capacity of 85 mAh <em>g</em><sup>−1</sup> after 120 cycles at 0.2 C. This work provides a universal electrolyte for the realization of high-performance and practical RMBs, especially Mg/S batteries.","PeriodicalId":16214,"journal":{"name":"Journal of Magnesium and Alloys","volume":"18 1","pages":""},"PeriodicalIF":17.6,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142841426","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}
The grain-scale tension-compression (T-C) asymmetric slip behavior and geometrically necessary dislocation (GND) density in an aged and twin-free Mg-10Y sheet were statistically studied using slip trace analysis and electron backscatter diffraction (EBSD) analysis. A significantly asymmetric slip activity, i.e., higher tensile slip activity and proportion of non-basal slip, was manifested. Prismatic 〈a〉 (37.1 %) and basal 〈a〉 (27.6 %) slips dominated the tensile deformation, followed by pyramidal II 〈c + a〉 slip (20.0 %). While during compression, basal 〈a〉 slip (61.9 %) was the most active slip mode, and only 6.9 % pyramidal II 〈c + a〉 slip was observed. The critical resolved shear stress (CRSS) ratio was estimated based on ∼800 sets of the identified slip traces, which suggested that the CRSSpyr II/CRSSbas for compression was ∼3 times than that of tension. The pyramidal II 〈c + a〉 slip was more active when the slip plane was under tension than under compression, which was consistent with the calculated asymmetric CRSSpyr II/CRSSbas. The activity of multiple slip, cross slip and slip transfer, as well as the GND density were also T-C asymmetric. This work thoughtfully demonstrated the T-C asymmetric slip behavior and plastic heterogeneity in Mg alloys which was believed to be responsible for the macroscopic T-C asymmetry when twinning was absent. The present statistical results are valuable for validating and/or facilitating crystal plasticity simulations.
利用滑移轨迹分析和电子反向散射衍射（EBSD）分析，对老化无孪晶 Mg-10Y 薄片的晶粒尺度拉伸-压缩（T-C）非对称滑移行为和几何必要位错（GND）密度进行了统计研究。结果表明，滑移活动明显不对称，即较高的拉伸滑移活动和非基底滑移比例。棱柱形〈a〉（37.1%）和基底形〈a〉（27.6%）滑移在拉伸变形中占主导地位，其次是金字塔形 II 〈c+a〉滑移（20.0%）。而在压缩过程中，基底〈a〉滑移（61.9%）是最活跃的滑移模式，只观察到 6.9% 的金字塔 II 〈 c + a〉滑移。根据 800 组已识别的滑移轨迹估算了临界分辨剪应力（CRSS）比，结果表明压缩的 CRSSpyr II/CRSSbas 是拉伸的 3 倍。金字塔 II 〈c＋a〉滑移在滑移面处于拉伸状态时比处于压缩状态时更活跃，这与计算出的不对称 CRSSpyr II/CRSSbas 相一致。多重滑移、交叉滑移和滑移转移的活性以及 GND 密度也是 T-C 不对称的。这项工作以深思熟虑的方式证明了镁合金中的 T-C 不对称滑移行为和塑性异质性，这被认为是在没有孪晶时宏观 T-C 不对称的原因。本统计结果对于验证和/或促进晶体塑性模拟非常有价值。
{"title":"Statistical investigation on the tension-compression asymmetry of slip behavior and plastic heterogeneity in an aged Mg-10Y sheet","authors":"Ran Ni, Huashen Liu, Shen Hua, Hao Zhou, Ying Zeng, Dongdi Yin","doi":"10.1016/j.jma.2024.11.033","DOIUrl":"https://doi.org/10.1016/j.jma.2024.11.033","url":null,"abstract":"The grain-scale tension-compression (T-C) asymmetric slip behavior and geometrically necessary dislocation (GND) density in an aged and twin-free Mg-10Y sheet were statistically studied using slip trace analysis and electron backscatter diffraction (EBSD) analysis. A significantly asymmetric slip activity, i.e., higher tensile slip activity and proportion of non-basal slip, was manifested. Prismatic 〈a〉 (37.1 %) and basal 〈a〉 (27.6 %) slips dominated the tensile deformation, followed by pyramidal II 〈<em>c</em> + <em>a</em>〉 slip (20.0 %). While during compression, basal 〈a〉 slip (61.9 %) was the most active slip mode, and only 6.9 % pyramidal II 〈<em>c</em> + <em>a</em>〉 slip was observed. The critical resolved shear stress (CRSS) ratio was estimated based on ∼800 sets of the identified slip traces, which suggested that the CRSS<sub>pyr II</sub>/CRSS<sub>bas</sub> for compression was ∼3 times than that of tension. The pyramidal II 〈<em>c</em> + <em>a</em>〉 slip was more active when the slip plane was under tension than under compression, which was consistent with the calculated asymmetric CRSS<sub>pyr II</sub>/CRSS<sub>bas</sub>. The activity of multiple slip, cross slip and slip transfer, as well as the GND density were also T-C asymmetric. This work thoughtfully demonstrated the T-C asymmetric slip behavior and plastic heterogeneity in Mg alloys which was believed to be responsible for the macroscopic T-C asymmetry when twinning was absent. The present statistical results are valuable for validating and/or facilitating crystal plasticity simulations.","PeriodicalId":16214,"journal":{"name":"Journal of Magnesium and Alloys","volume":"43 1","pages":""},"PeriodicalIF":17.6,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142832013","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}
Pub Date : 2024-12-17DOI: 10.1016/j.jma.2024.12.007
Huicong Chen, Cheng Chen, Jun Song, Stephen Yue
Deformation twinning is known to be important in the acquisition of plasticity for hexagonal close-packed crystal structures, of great implication to the design and development of novel high-strength Mg alloys with enhanced formability. Accurate understanding of deformation twinning necessitates critical mechanistic knowledge of the activation and selection of twins at nanoscale. In this work, considering polycrystalline Mg, we performed comprehensive molecular dynamics simulations to investigate deformation twinning under uniaxial tension and compression loading. An algorithm has been developed and implemented to identify the active twin variants of three operating twin modes during deformation. Sharp contrast between tension and compression loading in terms of twin patterns and twin growth was observed, attributed to difference in twin variant activation and twin-twin interaction under the two loading conditions. Furthermore, the critical role of Schmid factor in twin variant activation and selection has been elucidated, in good agreement with experimental observations. This study contributes critical insights towards advancing our understanding of the complex behaviors of deformation twinning in polycrystalline Mg.
{"title":"Understanding activation and growth of twin variants in polycrystalline magnesium under tension and compression: An atomistic study","authors":"Huicong Chen, Cheng Chen, Jun Song, Stephen Yue","doi":"10.1016/j.jma.2024.12.007","DOIUrl":"https://doi.org/10.1016/j.jma.2024.12.007","url":null,"abstract":"Deformation twinning is known to be important in the acquisition of plasticity for hexagonal close-packed crystal structures, of great implication to the design and development of novel high-strength Mg alloys with enhanced formability. Accurate understanding of deformation twinning necessitates critical mechanistic knowledge of the activation and selection of twins at nanoscale. In this work, considering polycrystalline Mg, we performed comprehensive molecular dynamics simulations to investigate deformation twinning under uniaxial tension and compression loading. An algorithm has been developed and implemented to identify the active twin variants of three operating twin modes during deformation. Sharp contrast between tension and compression loading in terms of twin patterns and twin growth was observed, attributed to difference in twin variant activation and twin-twin interaction under the two loading conditions. Furthermore, the critical role of Schmid factor in twin variant activation and selection has been elucidated, in good agreement with experimental observations. This study contributes critical insights towards advancing our understanding of the complex behaviors of deformation twinning in polycrystalline Mg.","PeriodicalId":16214,"journal":{"name":"Journal of Magnesium and Alloys","volume":"30 1","pages":""},"PeriodicalIF":17.6,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142832012","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}
Pub Date : 2024-12-16DOI: 10.1016/j.jma.2024.12.002
Limin Wang, Sijia Hu, Chun Xi, Weiwei Zhou, Taku Sakai, Xuyue Yang, Qinghuan Huo
The tensile creep anisotropy of a dilute-alloyed Mg-0.3wt%Ca sheet is investigated along the rolling direction (RD) and normal direction (ND). Strong creep anisotropy is shown between the RD and ND, owing to the easy twinning and the Ca-segregation along twin boundaries during creep loading along the ND. To weaken the creep anisotropy, hot-compression parallel to the RD-ND plane is performed and the continuous dynamic recrystallization mechanism induces a bimodal microstructure with the coexistence of unrecrystallized and recrystallized grains. The creep anisotropy is successfully weakened after hot-compression, and the creep resistance is also significantly enhanced along both loading directions. With the assistance of microstructural characterization, the weakened creep anisotropy is ascribed to the dislocation arrays in the interiors of recrystallized grains and the Ca-segregation along the boundaries of recrystallized grains. Compared to commercial Mg alloys with poor creep property and rare-earth alloyed Mg with high price, good creep performance and low production cost can be synchronously realized in the hot-compressed Mg-0.3wt%Ca alloy. Thus, this work proposes a new perspective for producing creep-resistant Mg alloys.
{"title":"Tensile creep anisotropy and its weakening mechanism in a dilute Mg-Ca alloy","authors":"Limin Wang, Sijia Hu, Chun Xi, Weiwei Zhou, Taku Sakai, Xuyue Yang, Qinghuan Huo","doi":"10.1016/j.jma.2024.12.002","DOIUrl":"https://doi.org/10.1016/j.jma.2024.12.002","url":null,"abstract":"The tensile creep anisotropy of a dilute-alloyed Mg-0.3wt%Ca sheet is investigated along the rolling direction (RD) and normal direction (ND). Strong creep anisotropy is shown between the RD and ND, owing to the easy twinning and the Ca-segregation along twin boundaries during creep loading along the ND. To weaken the creep anisotropy, hot-compression parallel to the RD-ND plane is performed and the continuous dynamic recrystallization mechanism induces a bimodal microstructure with the coexistence of unrecrystallized and recrystallized grains. The creep anisotropy is successfully weakened after hot-compression, and the creep resistance is also significantly enhanced along both loading directions. With the assistance of microstructural characterization, the weakened creep anisotropy is ascribed to the dislocation arrays in the interiors of recrystallized grains and the Ca-segregation along the boundaries of recrystallized grains. Compared to commercial Mg alloys with poor creep property and rare-earth alloyed Mg with high price, good creep performance and low production cost can be synchronously realized in the hot-compressed Mg-0.3wt%Ca alloy. Thus, this work proposes a new perspective for producing creep-resistant Mg alloys.","PeriodicalId":16214,"journal":{"name":"Journal of Magnesium and Alloys","volume":"22 1","pages":""},"PeriodicalIF":17.6,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142825588","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}
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