Pub Date : 2024-10-01DOI: 10.1016/j.matdes.2024.113353
Wei Li , Chipeng Zhang , Shunpeng Zhu , Cong Li , Guowei Bo , Shengnan Hu , Dapeng Jiang , Hui Chen , Jianjun He , Shengde Zhang , Anqi Chen , Jian Chen
The AISI 321 steels of structural components serviced at high temperature are usually subjected to oxidation and thermal shock damage during service. Therefore, to improve their high-temperature oxidation and thermal shock resistance, the self-healing coating consisting of Al2O3-13 %TiO2 layer, TiC layer and NiCrAlY layer was prepared for 321 steels in this work. The experimental and microstructural characterization results showed that the thermal shock resistance of such self-healing coating was remarkably improved as compared to the counterpart double-AT13 coating. This is because the volume increment resulting from the oxidation reaction between the TiC and oxygen decreased the porosity of the self-healing coating and retarded crack growth, which also led to the improved high-temperature oxidation resistance. Further, a thermal shock life model based on the crack growth model of Paris formula were developed. The modeling results not only agreed well with the experimental results but also indicated that thickening of thermal grown oxide (TGO) is the main cause of crack initiation and growth.
{"title":"Experimental and modeling investigation of the thermal shock behavior of TiC-based self-healing coatings on AISI 321 stainless steel","authors":"Wei Li , Chipeng Zhang , Shunpeng Zhu , Cong Li , Guowei Bo , Shengnan Hu , Dapeng Jiang , Hui Chen , Jianjun He , Shengde Zhang , Anqi Chen , Jian Chen","doi":"10.1016/j.matdes.2024.113353","DOIUrl":"10.1016/j.matdes.2024.113353","url":null,"abstract":"<div><div>The AISI 321 steels of structural components serviced at high temperature are usually subjected to oxidation and thermal shock damage during service. Therefore, to improve their high-temperature oxidation and thermal shock resistance, the self-healing coating consisting of Al<sub>2</sub>O<sub>3</sub>-13 %TiO<sub>2</sub> layer, TiC layer and NiCrAlY layer was prepared for 321 steels in this work. The experimental and microstructural characterization results showed that the thermal shock resistance of such self-healing coating was remarkably improved as compared to the counterpart double-AT13 coating. This is because the volume increment resulting from the oxidation reaction between the TiC and oxygen decreased the porosity of the self-healing coating and retarded crack growth, which also led to the improved high-temperature oxidation resistance. Further, a thermal shock life model based on the crack growth model of Paris formula were developed. The modeling results not only agreed well with the experimental results but also indicated that thickening of thermal grown oxide (TGO) is the main cause of crack initiation and growth.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"246 ","pages":"Article 113353"},"PeriodicalIF":7.6,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142424108","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-01DOI: 10.1016/j.matdes.2024.113341
Abdelhamid Hmima , Malak Kheir Al Din , Claire Gong , Benoit Panicaud , Akram Alhussein , Guillaume Geandier , Florimonde Lebel , Jean-Luc Grosseau-Poussard , Joseph Marae Djouda , Thomas Maurer , Hind Kadiri
Determination of mechanical state of thermal oxide growing during high temperature oxidation is a challenge. Fabrication of nanogauges for monitoring during high temperature oxidation was presently investigated up to 1000 °C. Several materials were tested in terms of mechanical behaviour and maximum working temperature for gauges used as markers during thermal loading under air. The experimental determination of the optimized gauges material for high temperature oxidation was validated. SiO2 offers particularly interesting features for gauges to determine the mechanical state of metal/oxide system. In this article, a special attention has also been paid to two nano-fabrication processes, as well as their limits. The standard electron beam lithography process is well suited to build gauges for oxidation applications, and can be improved by use of reactive ion etching process. The gauges can eventually reach several micrometers height such that the oxidation layer does not cover the gauges during thermal loading for relevant monitoring at short oxidation times. To illustrate, an application to a 17-4PH stainless steel oxidized at 480 °C is proposed and stress kinetics are deduced and related to an advanced thermomechano-chemical model, as well as identification of the numerical values of different thermomechano-chemical parameters associated to mechanisms of growth or relaxation.
在高温氧化过程中确定热氧化物生长的机械状态是一项挑战。目前正在研究制作用于监测高温氧化过程的纳米规,最高温度可达 1000 ℃。对几种材料的机械性能和最高工作温度进行了测试,以确定在空气中热加载期间用作标记的量规。通过实验确定了适用于高温氧化的优化检具材料。二氧化硅为测定金属/氧化物系统机械状态的量规提供了特别有趣的特性。本文还特别关注了两种纳米制造工艺及其局限性。标准电子束光刻工艺非常适合制造氧化应用的量规,并可通过使用反应离子蚀刻工艺加以改进。量规最终可以达到几微米的高度,这样在热加载过程中氧化层就不会覆盖量规,从而可以在短时间内进行相关监测。为了说明这一点,提出了在 480 °C 氧化的 17-4PH 不锈钢中的应用,并推导出了应力动力学,将其与先进的热机械化学模型联系起来,同时确定了与生长或松弛机制相关的不同热机械化学参数的数值。
{"title":"Micro-nanojauges design to monitor surface mechanical state during high temperature oxidation of metals with application to 17-4PH stainless steel","authors":"Abdelhamid Hmima , Malak Kheir Al Din , Claire Gong , Benoit Panicaud , Akram Alhussein , Guillaume Geandier , Florimonde Lebel , Jean-Luc Grosseau-Poussard , Joseph Marae Djouda , Thomas Maurer , Hind Kadiri","doi":"10.1016/j.matdes.2024.113341","DOIUrl":"10.1016/j.matdes.2024.113341","url":null,"abstract":"<div><div>Determination of mechanical state of thermal oxide growing during high temperature oxidation is a challenge. Fabrication of nanogauges for monitoring during high temperature oxidation was presently investigated up to 1000 °C. Several materials were tested in terms of mechanical behaviour and maximum working temperature for gauges used as markers during thermal loading under air. The experimental determination of the optimized gauges material for high temperature oxidation was validated. SiO<sub>2</sub> offers particularly interesting features for gauges to determine the mechanical state of metal/oxide system. In this article, a special attention has also been paid to two nano-fabrication processes, as well as their limits. The standard electron beam lithography process is well suited to build gauges for oxidation applications, and can be improved by use of reactive ion etching process. The gauges can eventually reach several micrometers height such that the oxidation layer does not cover the gauges during thermal loading for relevant monitoring at short oxidation times. To illustrate, an application to a 17-4PH stainless steel oxidized at 480 °C is proposed and stress kinetics are deduced and related to an advanced thermomechano-chemical model, as well as identification of the numerical values of different thermomechano-chemical parameters associated to mechanisms of growth or relaxation.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"246 ","pages":"Article 113341"},"PeriodicalIF":7.6,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142358258","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-01DOI: 10.1016/j.matdes.2024.113370
Kieran Rivers , Bradley Young , Yuanbo T. Tang , Bo-Shiuan Li , Angus J. Wilkinson , David E.J. Armstrong , Junliang Liu
Refractory high entropy alloys (RHEAs) are candidate materials for nuclear and other high-temperature applications, due to their high-temperature strength, good irradiation resistance, and high melting temperatures. However, a significant issue with current RHEAs is that those exhibiting good mechanical properties tend to show poor oxidation resistance, and vice versa. In this paper, the oxidation kinetics of four RHEAs (20Ti-20V-20Cr-20Nb-20Ta, 25Ti-25V-5Cr-20Nb-25Ta, 20Al-20Ti-20V-20Cr-20Ta, and 14Al-24Ti-24V-14Cr-24Ta alloys) were investigated in an air atmosphere at 1000 °C. As-prepared and oxidised samples were characterised by a combination of state-of-the-art microscopy techniques. By replacing Nb with Al, the two Al-containing alloys were observed to form a less porous oxide microstructure, showing significant improvement in their oxidation resistance. As a result of oxygen/nitrogen ingress during oxidation and associated phase-segregation at high temperatures, the hardness of the underlying metal matrix of the RHEAs increased by approximately 5 GPa.
{"title":"Oxidation behaviour of Ti-V-Cr-Nb-Ta and Al-Ti-V-Cr-Ta refractory high entropy alloys: Effects of Nb and Al substitutions","authors":"Kieran Rivers , Bradley Young , Yuanbo T. Tang , Bo-Shiuan Li , Angus J. Wilkinson , David E.J. Armstrong , Junliang Liu","doi":"10.1016/j.matdes.2024.113370","DOIUrl":"10.1016/j.matdes.2024.113370","url":null,"abstract":"<div><div>Refractory high entropy alloys (RHEAs) are candidate materials for nuclear and other high-temperature applications, due to their high-temperature strength, good irradiation resistance, and high melting temperatures. However, a significant issue with current RHEAs is that those exhibiting good mechanical properties tend to show poor oxidation resistance, and vice versa. In this paper, the oxidation kinetics of four RHEAs (20Ti-20V-20Cr-20Nb-20Ta, 25Ti-25V-5Cr-20Nb-25Ta, 20Al-20Ti-20V-20Cr-20Ta, and 14Al-24Ti-24V-14Cr-24Ta alloys) were investigated in an air atmosphere at 1000 °C. As-prepared and oxidised samples were characterised by a combination of state-of-the-art microscopy techniques. By replacing Nb with Al, the two Al-containing alloys were observed to form a less porous oxide microstructure, showing significant improvement in their oxidation resistance. As a result of oxygen/nitrogen ingress during oxidation and associated phase-segregation at high temperatures, the hardness of the underlying metal matrix of the RHEAs increased by approximately 5 GPa.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"246 ","pages":"Article 113370"},"PeriodicalIF":7.6,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142432417","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-01DOI: 10.1016/j.matdes.2024.113358
Lili Sheng , Yanping Feng , Shuting Wu , Chen Wang , Ruiyang Sun , Qishu Jin , Dongmin Chen , Zhaowenbin Zhang , He Xu , Zhihong Dong , Hong Zhu , Chen Yang , Jiang Chang
In light of the clinical challenges posed by bacterial infection and vascular damage in chronic diabetic wounds, this study presents a novel bioactive copper vanadate-based hydrogel (CVH) with multiple functions including the sustained release of copper and vanadium ions, photocatalytic activity under visible (VIS) light, and photothermal ability under near-infrared (NIR) light. In vitro experiments demonstrated that CVH effectively repairs high glucose-impaired human umbilical vein endothelial cells (HUVECs) and exhibits potent antibacterial activity against Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli). Furthermore, the dual biological functions are augmented by the NIR-light-induced mild photothermal effect, demonstrating a synergistic effect. The infected diabetic wound model further substantiates the therapeutic efficacy of the CVH dressing in eliminating bacteria and promoting angiogenesis under VIS/NIR light irradiation. Collectively, the CVH dressing demonstrates significant potential as a therapeutic intervention for managing chronic diabetic wounds.
{"title":"Biodegradable copper vanadate-based hydrogel with photocatalytic/photothermal therapy for infected diabetic wound healing","authors":"Lili Sheng , Yanping Feng , Shuting Wu , Chen Wang , Ruiyang Sun , Qishu Jin , Dongmin Chen , Zhaowenbin Zhang , He Xu , Zhihong Dong , Hong Zhu , Chen Yang , Jiang Chang","doi":"10.1016/j.matdes.2024.113358","DOIUrl":"10.1016/j.matdes.2024.113358","url":null,"abstract":"<div><div>In light of the clinical challenges posed by bacterial infection and vascular damage in chronic diabetic wounds, this study presents a novel bioactive copper vanadate-based hydrogel (CVH) with multiple functions including the sustained release of copper and vanadium ions, photocatalytic activity under visible (VIS) light, and photothermal ability under near-infrared (NIR) light. <em>In vitro</em> experiments demonstrated that CVH effectively repairs high glucose-impaired human umbilical vein endothelial cells (HUVECs) and exhibits potent antibacterial activity against Staphylococcus aureus (<em>S. aureus</em>) and Escherichia coli (<em>E. coli</em>). Furthermore, the dual biological functions are augmented by the NIR-light-induced mild photothermal effect, demonstrating a synergistic effect. The infected diabetic wound model further substantiates the therapeutic efficacy of the CVH dressing in eliminating bacteria and promoting angiogenesis under VIS/NIR light irradiation. Collectively, the CVH dressing demonstrates significant potential as a therapeutic intervention for managing chronic diabetic wounds.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"246 ","pages":"Article 113358"},"PeriodicalIF":7.6,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142424120","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-01DOI: 10.1016/j.matdes.2024.113360
Hao Wu , Yida Zhang , Dong Lu , Xiufang Gong , Liming Lei , Hong Zhang , Yongjie Liu , Qingyuan Wang
−TiAl alloy, with its high specific strength and creep resistance, is ideal for aerospace engines and gas turbines, but its brittleness poses significant manufacturing and processing challenges. To address these issues, this study employs a crystal plasticity finite element method incorporating dislocation and twinning to analyze the brittle-to-ductile transition behavior of −TiAl alloy at different temperatures. Additionally, the Bayesian optimization methods are employed to efficiently and accurately obtain parameters related to numerical calculations of crystal plasticity. The results indicate that at room temperature, the high activation resistance of the slip systems in the α2 phase leads to limited slip activity, resulting in poor plasticity. However, at 750 °C and 850 °C, the strength of the slip systems decreases significantly, allowing more α2 phase lamellae in the γ-TiAl alloy to undergo greater plastic deformation. This enhancement in the plastic deformation capacity of the α2phase lamellae reduce the overall deformation incompatibility in the TiAl alloy, thereby improving the overall ductile of the γ-TiAl alloy.
{"title":"Exploring the brittle-to-ductile transition and microstructural responses of γ−TiAl alloy with a crystal plasticity model incorporating dislocation and twinning","authors":"Hao Wu , Yida Zhang , Dong Lu , Xiufang Gong , Liming Lei , Hong Zhang , Yongjie Liu , Qingyuan Wang","doi":"10.1016/j.matdes.2024.113360","DOIUrl":"10.1016/j.matdes.2024.113360","url":null,"abstract":"<div><div><span><math><mrow><mi>γ</mi></mrow></math></span>−TiAl alloy, with its high specific strength and creep resistance, is ideal for aerospace engines and gas turbines, but its brittleness poses significant manufacturing and processing challenges. To address these issues, this study employs a crystal plasticity finite element method incorporating dislocation and twinning to analyze the brittle-to-ductile transition behavior of <span><math><mrow><mi>γ</mi></mrow></math></span>−TiAl alloy at different temperatures. Additionally, the Bayesian optimization methods are employed to efficiently and accurately obtain parameters related to numerical calculations of crystal plasticity. The results indicate that at room temperature, the high activation resistance of the slip systems in the <em>α</em><sup>2</sup> phase leads to limited slip activity, resulting in poor plasticity. However, at 750 °C and 850 °C, the strength of the slip systems decreases significantly, allowing more <em>α</em><sup>2</sup> phase lamellae in the <em>γ</em>-TiAl alloy to undergo greater plastic deformation. This enhancement in the plastic deformation capacity of the <em>α</em><sup>2</sup>phase lamellae reduce the overall deformation incompatibility in the TiAl alloy, thereby improving the overall ductile of the <em>γ</em>-TiAl alloy.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"246 ","pages":"Article 113360"},"PeriodicalIF":7.6,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142432419","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-01DOI: 10.1016/j.matdes.2024.113337
Zihan Wang , Wenjian Li , Chuang Li , Anke Klingner , Yutao Pei , Sarthak Misra , Islam S.M. Khalil
Mobile microrobots have gained increasing attention in biomedical applications because they can be precisely actuated to targeted positions in a tiny space. However, their use in biomedical applications is hindered by the costly and complicated fabrication method. Herein, a facile fabrication method is proposed to produce magnetic alginate microrobots with adjustable dimensions, including teardrop and tadpole shapes, via tunable centrifugally-driven flows. The formation of these microrobots is interpreted by finite element analysis, revealing that the transition between the dripping and jetting regimes of the flow alters the microrobot's shape. The dimensions of the microrobots are quantitatively analyzed based on the flow's extrusion velocity, controlled by nozzle diameters and revolution speeds. Incorporating magnetic nanoparticles into the alginate-based hydrogel enables the microrobots to exhibit distinct motion patterns under a magnetic field. The teardrop-like microrobot can reach a maximum rolling velocity of approximately 2.7 body length s−1 at 2 Hz, while the maximum stick-slip velocity of the tadpole-like microrobot reaches about 0.42 body length s−1 at 5 Hz, comparable to the existing bioinspired magnetic microrobots. These two motion patterns allow the microrobot to overcome obstacles and navigate in vertically constrained environments, respectively. Last, an ultrasound imaging system is deployed to monitor the locomotion and degradation of the microrobots, showing their potential for targeted drug delivery applications.
{"title":"Magnetic alginate microrobots with dual-motion patterns through centrifugally driven flow control","authors":"Zihan Wang , Wenjian Li , Chuang Li , Anke Klingner , Yutao Pei , Sarthak Misra , Islam S.M. Khalil","doi":"10.1016/j.matdes.2024.113337","DOIUrl":"10.1016/j.matdes.2024.113337","url":null,"abstract":"<div><div>Mobile microrobots have gained increasing attention in biomedical applications because they can be precisely actuated to targeted positions in a tiny space. However, their use in biomedical applications is hindered by the costly and complicated fabrication method. Herein, a facile fabrication method is proposed to produce magnetic alginate microrobots with adjustable dimensions, including teardrop and tadpole shapes, via tunable centrifugally-driven flows. The formation of these microrobots is interpreted by finite element analysis, revealing that the transition between the dripping and jetting regimes of the flow alters the microrobot's shape. The dimensions of the microrobots are quantitatively analyzed based on the flow's extrusion velocity, controlled by nozzle diameters and revolution speeds. Incorporating magnetic nanoparticles into the alginate-based hydrogel enables the microrobots to exhibit distinct motion patterns under a magnetic field. The teardrop-like microrobot can reach a maximum rolling velocity of approximately 2.7 body length s<sup>−1</sup> at 2 Hz, while the maximum stick-slip velocity of the tadpole-like microrobot reaches about 0.42 body length s<sup>−1</sup> at 5 Hz, comparable to the existing bioinspired magnetic microrobots. These two motion patterns allow the microrobot to overcome obstacles and navigate in vertically constrained environments, respectively. Last, an ultrasound imaging system is deployed to monitor the locomotion and degradation of the microrobots, showing their potential for targeted drug delivery applications.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"246 ","pages":"Article 113337"},"PeriodicalIF":7.6,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142358259","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-01DOI: 10.1016/j.matdes.2024.113362
Shilin Mao , Mengdan Hu , Wei Chen , Dongke Sun
A lattice Boltzmann model (LBM) with sharp interface tracking is developed to simulate the motion and growth of dendrites in non-equilibrium solidification of alloys. The model is validated through comparative analysis with the drafting-kissing-tumbling (DKT) phenomena of two and three particles and the continuous growth model (CGM), and demonstrates its computational efficiency advantage without compromising accuracy by comparison with the multi-phase field (MPF) model. Subsequently, the model is utilized to investigate the dendrite morphology transition and primary dendritic arm spacing (PDAS). It is found that the velocity dependent solute partition and the resulting changes in constitutional undercooling strongly influence the estimated morphology region and PDAS. Moreover, the segregation and microstructure evolution during the rapid solidification were studied. And the results revealed that free dendrites lead to significant changes in microstructure and segregation under the influence of non-equilibrium effects. This work illustrates the great potential of the proposed model in simulating dendrites and microstructure evolution under a wide range of solidification conditions. Its suitability for extreme conditions and non-equilibrium solidification can contribute to the understanding of microstructure formation patterns and solute segregation in rapid solidification.
{"title":"A lattice Boltzmann model with sharp interface tracking for the motion and growth of dendrites in non-equilibrium solidification of alloys","authors":"Shilin Mao , Mengdan Hu , Wei Chen , Dongke Sun","doi":"10.1016/j.matdes.2024.113362","DOIUrl":"10.1016/j.matdes.2024.113362","url":null,"abstract":"<div><div>A lattice Boltzmann model (LBM) with sharp interface tracking is developed to simulate the motion and growth of dendrites in non-equilibrium solidification of alloys. The model is validated through comparative analysis with the drafting-kissing-tumbling (DKT) phenomena of two and three particles and the continuous growth model (CGM), and demonstrates its computational efficiency advantage without compromising accuracy by comparison with the multi-phase field (MPF) model. Subsequently, the model is utilized to investigate the dendrite morphology transition and primary dendritic arm spacing (PDAS). It is found that the velocity dependent solute partition and the resulting changes in constitutional undercooling strongly influence the estimated morphology region and PDAS. Moreover, the segregation and microstructure evolution during the rapid solidification were studied. And the results revealed that free dendrites lead to significant changes in microstructure and segregation under the influence of non-equilibrium effects. This work illustrates the great potential of the proposed model in simulating dendrites and microstructure evolution under a wide range of solidification conditions. Its suitability for extreme conditions and non-equilibrium solidification can contribute to the understanding of microstructure formation patterns and solute segregation in rapid solidification.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"246 ","pages":"Article 113362"},"PeriodicalIF":7.6,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142424044","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-01DOI: 10.1016/j.matdes.2024.113329
A. Arias-Blanco , M. Álvarez-Blanco , R. Belda , M. Marco
Evaluating the mechanical properties of 3D-printed parts is a cumbersome task. This study poses an approach based on computational homogenization to estimate the elastic constants of fused filament fabrication 3D-printed parts. A whole methodology for characterization and experimental validation is necessary to improve finite element numerical models.
Samples are characterized both mechanically and geometrically. To improve the characterization, novel algorithms based on micro-computed tomography images and image segmentation techniques are implemented. Thereafter, elastic constants are estimated, informed by the characterization results. The method’s effectiveness is assessed through a deep comparison, based on the digital image correlation technique, between different experimental samples and finite element models.
Results show that the numerical estimation provided in this work is accurate enough to develop realistic finite element models, including anisotropy of the structures. However, defects and voids developed during 3D printing are an important source of error for these numerical models.
This work provides an estimation and validation of elastic constants in 3D-printed parts, including geometrical characterization, numerical homogenization and experimental validation. The results of this work provide valuable information encompassing techniques to improve the characterization of 3D-printed parts, tendencies on elastic constants, and main sources of error.
评估 3D 打印部件的机械性能是一项繁琐的任务。本研究提出了一种基于计算均质化的方法,用于估算熔融长丝制造三维打印部件的弹性常数。要改进有限元数值模型,就必须有一套完整的表征和实验验证方法。为了改进表征,采用了基于微型计算机断层扫描图像和图像分割技术的新型算法。之后,根据表征结果估算弹性常数。结果表明,这项工作提供的数值估算足够精确,足以开发出逼真的有限元模型,包括结构的各向异性。然而,三维打印过程中产生的缺陷和空隙是这些数值模型的重要误差来源。这项工作提供了三维打印部件弹性常数的估算和验证,包括几何特征描述、数值同质化和实验验证。这项工作的结果提供了有价值的信息,包括改进三维打印部件表征的技术、弹性常数的趋势和主要误差来源。
{"title":"Estimation and validation of elastic constants in fused filament fabrication 3D printing: From mesoscale to macroscale","authors":"A. Arias-Blanco , M. Álvarez-Blanco , R. Belda , M. Marco","doi":"10.1016/j.matdes.2024.113329","DOIUrl":"10.1016/j.matdes.2024.113329","url":null,"abstract":"<div><div>Evaluating the mechanical properties of 3D-printed parts is a cumbersome task. This study poses an approach based on computational homogenization to estimate the elastic constants of fused filament fabrication 3D-printed parts. A whole methodology for characterization and experimental validation is necessary to improve finite element numerical models.</div><div>Samples are characterized both mechanically and geometrically. To improve the characterization, novel algorithms based on micro-computed tomography images and image segmentation techniques are implemented. Thereafter, elastic constants are estimated, informed by the characterization results. The method’s effectiveness is assessed through a deep comparison, based on the digital image correlation technique, between different experimental samples and finite element models.</div><div>Results show that the numerical estimation provided in this work is accurate enough to develop realistic finite element models, including anisotropy of the structures. However, defects and voids developed during 3D printing are an important source of error for these numerical models.</div><div>This work provides an estimation and validation of elastic constants in 3D-printed parts, including geometrical characterization, numerical homogenization and experimental validation. The results of this work provide valuable information encompassing techniques to improve the characterization of 3D-printed parts, tendencies on elastic constants, and main sources of error.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"246 ","pages":"Article 113329"},"PeriodicalIF":7.6,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142424227","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this research, a generalized machine learning (ML) framework is proposed to estimate the fatigue life of epoxy polymers and additively manufactured AlSi10Mg alloy materials, leveraging their failure surface void characteristics. An extreme gradient boosting algorithm-based ML framework encompassing Synthetic Minority Over-sampling TEchnique (SMOTE), categorical data encoding, and external loop cross-validation is developed to evaluate the fatigue life across materials. The influence of different training strategies based on materials, input features, encoding method, and data standardization on the model performance is explored. Additionally, the importance of anti-data-leakage and anti-overfitting measures over the ML model performance is addressed. The result shows that the data-leakage-free, external loop cross-validated model can estimate the fatigue life of selective epoxy polymers and metal alloys with an average of 0.71 ± 0.06 using a mere 12 to 27 experimental data points per material category. Whereas the model trained with data-leakage and overfitting results in high of 0.9.
本研究提出了一种通用机器学习(ML)框架,利用环氧聚合物和添加制造的 AlSi10Mg 合金材料的失效表面空隙特征来估算其疲劳寿命。开发了一种基于极端梯度提升算法的 ML 框架,该框架包含合成少数群体过度采样技术(SMOTE)、分类数据编码和外部循环交叉验证,用于评估不同材料的疲劳寿命。探讨了基于材料、输入特征、编码方法和数据标准化的不同训练策略对模型性能的影响。此外,还探讨了反数据泄漏和反过拟合措施对 ML 模型性能的重要性。结果表明,无数据泄漏的外循环交叉验证模型可以估算选择性环氧聚合物和金属合金的疲劳寿命,平均 R2 为 0.71 ± 0.06,而每个材料类别只需 12 至 27 个实验数据点。而经过数据泄漏和过度拟合训练的模型的 R2 高达 0.9。
{"title":"A generalized machine learning framework to estimate fatigue life across materials with minimal data","authors":"Dharun Vadugappatty Srinivasan , Morteza Moradi , Panagiotis Komninos , Dimitrios Zarouchas , Anastasios P. Vassilopoulos","doi":"10.1016/j.matdes.2024.113355","DOIUrl":"10.1016/j.matdes.2024.113355","url":null,"abstract":"<div><div>In this research, a generalized machine learning (ML) framework is proposed to estimate the fatigue life of epoxy polymers and additively manufactured AlSi10Mg alloy materials, leveraging their failure surface void characteristics. An extreme gradient boosting algorithm-based ML framework encompassing Synthetic Minority Over-sampling TEchnique (SMOTE), categorical data encoding, and external loop cross-validation is developed to evaluate the fatigue life across materials. The influence of different training strategies based on materials, input features, encoding method, and data standardization on the model performance is explored. Additionally, the importance of anti-data-leakage and anti-overfitting measures over the ML model performance is addressed. The result shows that the data-leakage-free, external loop cross-validated model can estimate the fatigue life of selective epoxy polymers and metal alloys with an average <span><math><mrow><msup><mrow><mi>R</mi></mrow><mn>2</mn></msup></mrow></math></span> of 0.71 ± 0.06 using a mere 12 to 27 experimental data points per material category. Whereas the model trained with data-leakage and overfitting results in high <span><math><mrow><msup><mrow><mi>R</mi></mrow><mn>2</mn></msup></mrow></math></span> of 0.9.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"246 ","pages":"Article 113355"},"PeriodicalIF":7.6,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142424114","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-01DOI: 10.1016/j.matdes.2024.113351
Dazuo Wang , Yong Xiao , Shuaixing Wang , Zhipeng Huang , Jihong Wen
The development of sound-absorbing metamaterials/metastructures provides a new way to solve the problem of low-frequency and broadband sound absorption. However, designing ultra-broadband sound-absorbing metamaterials/metastructures with simple constructions is still a challenge. To address this problem, this paper proposes a type of hybrid metastructure (HMS) consisting of slit-embedded Helmholtz resonators (HRs) covered with porous material modulation crowns (PMMCs) for ultra-broadband efficient sound absorption, with virtually no upper limit on the absorption frequency. Based on double porosity theory, an analytical prediction method for the absorption performance of HMS is developed and validated by comparison with finite element simulations and experiments. Analysis of the absorption mechanism reveals that the PMMCs facilitate impedance matching and energy dissipation within the HMS. This not only enhances low-frequency absorption but also grants excellent tunability and absorption performance at mid-to-high frequencies. It is demonstrated that a typical HMS composed of only four subunits can achieve efficient ultra-broadband absorption (α ≥ 0.8) ranging from 100 Hz to more than 10000 Hz with a thickness of 200 mm. This work brings a new pathway for achieving low-frequency and ultra-broadband sound absorption using metastuctures with simple and lightweight constructions.
吸声超材料/超结构的发展为解决低频和宽带吸声问题提供了一条新途径。然而,设计结构简单的超宽带吸声超材料/超结构仍是一项挑战。针对这一问题,本文提出了一种混合超材料(HMS),它由缝隙嵌入式亥姆霍兹谐振器(HRs)和多孔材料调制冠(PMMCs)组成,用于超宽带高效吸声,且吸声频率几乎没有上限。基于双孔理论,开发了一种 HMS 吸声性能的分析预测方法,并通过与有限元模拟和实验的比较进行了验证。对吸收机制的分析表明,永磁微孔介质促进了 HMS 内部的阻抗匹配和能量耗散。这不仅增强了低频吸收能力,还赋予了中高频出色的可调谐性和吸收性能。研究表明,一个仅由四个子单元组成的典型 HMS 可以在厚度为 200 毫米的情况下实现从 100 Hz 到 10000 Hz 以上的高效超宽带吸收(α ≥ 0.8)。这项工作为利用结构简单、重量轻的元结构实现低频和超宽带吸声带来了一条新途径。
{"title":"Ultra-broadband sound-absorbing metastructure with Helmholtz resonator and porous material modulation crown","authors":"Dazuo Wang , Yong Xiao , Shuaixing Wang , Zhipeng Huang , Jihong Wen","doi":"10.1016/j.matdes.2024.113351","DOIUrl":"10.1016/j.matdes.2024.113351","url":null,"abstract":"<div><div>The development of sound-absorbing metamaterials/metastructures provides a new way to solve the problem of low-frequency and broadband sound absorption. However, designing ultra-broadband sound-absorbing metamaterials/metastructures with simple constructions is still a challenge. To address this problem, this paper proposes a type of hybrid metastructure (HMS) consisting of slit-embedded Helmholtz resonators (HRs) covered with porous material modulation crowns (PMMCs) for ultra-broadband efficient sound absorption, with virtually no upper limit on the absorption frequency. Based on double porosity theory, an analytical prediction method for the absorption performance of HMS is developed and validated by comparison with finite element simulations and experiments. Analysis of the absorption mechanism reveals that the PMMCs facilitate impedance matching and energy dissipation within the HMS. This not only enhances low-frequency absorption but also grants excellent tunability and absorption performance at mid-to-high frequencies. It is demonstrated that a typical HMS composed of only four subunits can achieve efficient ultra-broadband absorption (<em>α</em> ≥ 0.8) ranging from 100 Hz to more than 10000 Hz with a thickness of 200 mm. This work brings a new pathway for achieving low-frequency and ultra-broadband sound absorption using metastuctures with simple and lightweight constructions.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"246 ","pages":"Article 113351"},"PeriodicalIF":7.6,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142424115","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}