Materials & DesignPub Date : 2025-05-11DOI: 10.1016/j.matdes.2025.114089
Yu Liao , Chuanwei Li , Luyao Cheng , Yiwei Wang , Hao Zhang , Yisi Song , Zhenhua Ye , Jianfeng Gu
{"title":"Achieving balanced strength and ductility in a Fe64(CoCrNi)36 ferrous medium-entropy alloy via W addition","authors":"Yu Liao , Chuanwei Li , Luyao Cheng , Yiwei Wang , Hao Zhang , Yisi Song , Zhenhua Ye , Jianfeng Gu","doi":"10.1016/j.matdes.2025.114089","DOIUrl":"10.1016/j.matdes.2025.114089","url":null,"abstract":"<div><div>The relatively low strength of ferrous medium-entropy alloys (Fe-MEAs) at room temperature has limited their widespread structural applications. In this study, a balanced strength and ductility were achieved in non-equiatomic [Fe<sub>64</sub>(CoCrNi)<sub>36</sub>]<sub>100−x</sub>W<sub>x</sub> (x = 0, 1, 2.5, and 4, at.%) Fe-MEAs via refractory tungsten (W) alloying and a single-step hot-rolling process. Increasing W content reduces the fraction of the body-centered cubic phase while promoting the formation of W-rich μ and minor Laves phases. The 4W alloy exhibits a yield strength of 810 MPa, an ultimate tensile strength of 891 MPa, and an elongation-to-failure of 26.3%. The improved yield strength is attributed to the combined effects of solid solution strengthening, grain boundary strengthening, dislocation strengthening, and precipitation strengthening. Detailed analysis revealed that the ductile face-centered cubic matrix effectively suppresses the propagation of microcracks originating from the hard and brittle precipitates. Furthermore, dislocation-precipitate/grain boundary interactions, nanoscale deformation twins, and deformation-induced martensitic transformation collectively improve the work-hardening capacity. These findings offer valuable insights into the design and development of cost-effective, high-performance Fe-MEAs for advanced structural applications.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"254 ","pages":"Article 114089"},"PeriodicalIF":7.6,"publicationDate":"2025-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144070492","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Materials & DesignPub Date : 2025-05-10DOI: 10.1016/j.matdes.2025.114091
Ang Zhao , Pei Li , Kui Liu , Yehui Cui
{"title":"Topology optimization design of frame structures based on the Direct FE2 method","authors":"Ang Zhao , Pei Li , Kui Liu , Yehui Cui","doi":"10.1016/j.matdes.2025.114091","DOIUrl":"10.1016/j.matdes.2025.114091","url":null,"abstract":"<div><div>In the existing design methodology studies, the topology optimization of the engineering structures suffers from the heavy computational burden during the solution process. To handle this issue, a novel topology optimization method is proposed by using Direct FE<sup>2</sup> with shear-flexible beam elements. In this proposed method, the solid isotropic material with penalization (SIMP) topology optimization method is incorporated with the Direct FE<sup>2</sup> method for beam elements, allowing topology optimization to be performed based on the Direct FE<sup>2</sup> homogenization framework instead of establishing complex mapping relationships between macro and micro structures. This unique characteristic enables the microscopic RVE morphology to be optimized according to the macroscopic beam deformation. Consequently, the enhanced multiscale connection improves computational efficiency over direct numerical simulation (DNS). The effectiveness and applicability of this proposed Direct FE<sup>2</sup> topology optimization method is well validated by several numerical examples, the optimization results of the microscopic RVE exhibits rational morphology and geometric configuration that can provide a superior mechanical performance on the macroscopic structure. The proposed topology optimization method provides an efficient and effective way to conduct the design and improvement for slender structures.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"254 ","pages":"Article 114091"},"PeriodicalIF":7.6,"publicationDate":"2025-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144070502","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Metal fused filament fabrication (MF3) of Ti-6Al-4 V implants by using flexible, partially water-soluble binder systems","authors":"Ralf Eickhoff , Steffen Antusch , Dorit Nötzel , Thomas Hanemann","doi":"10.1016/j.matdes.2025.114088","DOIUrl":"10.1016/j.matdes.2025.114088","url":null,"abstract":"<div><div>Metal Fused Filament Fabrication provides a cost-efficient method to produce metal implants adapted to the patient. However, the limited flexibility of highly filled filaments and the reduced accuracy in comparison with alternative additive manufacturing techniques currently restrict the widespread implementation of this method. Building upon the findings of previous studies, the eco-friendly partially water-soluble binder systems containing polyethylene glycol (PEG), poly(vinylbutyral) (PVB) and poly(methylmethacrylat) (PMMA) were further optimized. Consequently, the influence of the plasticizer acetyltributylcitrate (ATBC) on the flow behavior and the flexibility of the filaments was investigated. The combination of all binder components, in conjunction with a solids content of 60<!--> <!-->%, has enabled the fabrication of filaments with a high degree of usability, attributable to their remarkable flexibility and excellent printing properties. Following the debinding and sintering processes, the manufacturing of implants with densities that exceed 99.5<!--> <!-->% of the theoretical values was feasible.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"254 ","pages":"Article 114088"},"PeriodicalIF":7.6,"publicationDate":"2025-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143942521","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Materials & DesignPub Date : 2025-05-09DOI: 10.1016/j.matdes.2025.114087
Xiaowei Zuo , Nicholas Satterlee , Chang-Whan Lee , In-Gyu Choi , Choon-Wook Park , John S. Kang
{"title":"Feature-informed machine learning for detecting material deformation and failure in aluminum pipes under bending load using acoustic emission sensors","authors":"Xiaowei Zuo , Nicholas Satterlee , Chang-Whan Lee , In-Gyu Choi , Choon-Wook Park , John S. Kang","doi":"10.1016/j.matdes.2025.114087","DOIUrl":"10.1016/j.matdes.2025.114087","url":null,"abstract":"<div><div>Plastic deformation or the initiation of cracks in metal materials generates elastic wave energy, which can be captured by acoustic emission (AE) sensors. This AE energy can be leveraged for early leak detection, potentially before an actual leak occurs in metal piping systems. While much of the existing research focuses on tensile testing, limited work has been done on detecting plastic deformation or cracks during bending deformation in metal pipes using AE signals. This study evaluates and compares several feature-based machine learning techniques to identify the onset of plastic deformation or early failure in aluminum pipes under bending conditions. The results show that the average accuracy for the feature-based ML models is 79.8 %, with the Support Vector Machine achieving the highest accuracy of 83.5 %. Additionally, we propose a novel Feature-Informed Convolutional Neural Network (FI-CNN), which integrates the features into the CNN framework, yielding an accuracy of 92.7 %, outperforming the traditional machine learning methods. These findings highlight the potential of combining AE sensors with FI-CNN as an effective, non-destructive approach for real-time leak detection and predictive maintenance in piping systems.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"254 ","pages":"Article 114087"},"PeriodicalIF":7.6,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144070489","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Materials & DesignPub Date : 2025-05-09DOI: 10.1016/j.matdes.2025.114067
Liqun Hu , Dongqin Xiao , Shaobin Zhang , Chenxi Ma , Zhuohan Li , Jiyuan Yan , Zhong Li , Kui He , Ke Duan
{"title":"Calcium sulfate-magnesium oxide composites for antimicrobial and pro-osteogenic bone grafting materials","authors":"Liqun Hu , Dongqin Xiao , Shaobin Zhang , Chenxi Ma , Zhuohan Li , Jiyuan Yan , Zhong Li , Kui He , Ke Duan","doi":"10.1016/j.matdes.2025.114067","DOIUrl":"10.1016/j.matdes.2025.114067","url":null,"abstract":"<div><div>Calcium sulfate (CaS) is a commonly used synthetic bone graft material, but it lacks antimicrobial properties. Magnesium oxide (MgO) has been reported to possess antimicrobial and osteogenic effects <em>in vitro</em>. The present study aimed to develop and evaluate MgO-CaS composites for their antimicrobial and biological properties. MgO nanoparticles were mixed with α-calcium sulfate hemihydrate at 0–25% (w/w). The resultant composites were characterized for setting time, compressive strength, degradation, pH change, and reactive oxygen species (ROS) generation. <em>In vitro</em> inhibition of three pathogens (<em>E. coli</em>, <em>S. aureus</em>, <em>C. alb</em>.), disruption of bacterial biofilm formation, biocompatibility, alkaline phosphatase (ALP) expression, and angiogenic potential were studied. <em>In vivo</em> antibacterial (<em>S. aureus</em>) effects were also evaluated in a rat muscle model. The addition of MgO shortened the setting time and reduced compressive strength. <em>In vitro</em>, the composites exhibited a stable pH plateau and nearly linear degradation profiles; they inhibited bacterial biofilm formation by 18.1–62.0% and reduced the masses of pre-formed biofilms by 38.9–86.5%; they also reduced the formation of bacterial colonies by 87.5–99.0% and fungal colonies by 81.6–97.9%. <em>In vitro</em> biocompatibility decreased with increasing MgO content, but composites with 0–7.5% MgO were non-cytotoxic. ALP levels and angiogenic potential peaked at 2.5% and 7.5% MgO, respectively. <em>In vivo</em>, the composites significantly reduced the retrieved bacterial counts and white blood cell infiltration compared with CaS. These suggest that CaS-MgO composites are effective antimicrobial bone grafting materials with reasonable biocompatibility and potential to reduce infection rates.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"254 ","pages":"Article 114067"},"PeriodicalIF":7.6,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143935558","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Materials & DesignPub Date : 2025-05-09DOI: 10.1016/j.matdes.2025.114073
Bartosz Dziejarski , Jose Eduardo Arevalo Fester , Jarosław Serafin , Martina Petranikova , Eric Tam , Anna Martinelli , Renata Krzyżyńska , Klas Andersson , Pavleta Knutsson
{"title":"Valorization of hazardous graphite from black mass (NMC 111) of lithium-ion battery recycling via KOH activation for functional carbon design","authors":"Bartosz Dziejarski , Jose Eduardo Arevalo Fester , Jarosław Serafin , Martina Petranikova , Eric Tam , Anna Martinelli , Renata Krzyżyńska , Klas Andersson , Pavleta Knutsson","doi":"10.1016/j.matdes.2025.114073","DOIUrl":"10.1016/j.matdes.2025.114073","url":null,"abstract":"<div><div>The rapid adoption of lithium-ion batteries (LiBs) in energy storage has driven research into resource recovery. This study converts hazardous graphite from the black mass (NMC 111) of spent LiBs into functional activated carbons (ACs) via KOH activation. Tailoring the synthesis at 800 °C and a graphite-to-KOH ratio of 1:6 produced AC with a surface area of 678 m<sup>2</sup>/g and a total pore volume of 0.442 cm<sup>3</sup>/g. The material showed a balanced micropore–mesopore structure, with micropores contributing 53 % of the total pore volume. The material showed a balanced micropore–mesopore structure, with micropores contributing 53 % of the total volume. XRD confirmed preserved graphitic crystallinity with a dominant (002) peak at 26.52°. Raman spectroscopy indicated increased defect density (I<sub>D</sub>/I<sub>G</sub> = 1.053), facilitating porosity formation. SEM and TEM revealed a transition from smooth graphite layers to a porous, defect-rich structure, with TEM highlighting mesopore-like voids and distorted graphitic domains featuring edge defects. XPS identified surface modifications, including a higher proportion of sp<sup>2</sup> carbon and oxygen-containing groups (C–O, C=O, C-OH, CO<sub>3</sub><sup>2−</sup>). TGA demonstrated stability (∼900 °C) under inert conditions and enhanced reactivity in oxidative environments. This work valorizes LiB-derived graphite waste into ACs, supporting circular economy strategies and demonstrating potential for industrial scalability.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"254 ","pages":"Article 114073"},"PeriodicalIF":7.6,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144070503","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Design and crashworthiness analysis of novel gradient hashtag-shaped fractal thin-walled structure","authors":"Jiale Huang , Haoke Zhou , Wenqi Huang , Yuxin Zhang , Guoda Du , Wentian Lu , Xinmei Xiang , Jingren Gou","doi":"10.1016/j.matdes.2025.114076","DOIUrl":"10.1016/j.matdes.2025.114076","url":null,"abstract":"<div><div>Inspired by the fractal and hierarchical features of organisms, a novel hashtag-shaped fractal structure (#-FS) was proposed, and its crashworthiness performance was analyzed using finite element simulations. The results show that the proposed #-FS exhibits superior energy-absorbing capacity compared to the conventional square tube under the same mass condition. Compared with conventional square tube, the energy absorption of #-FS with 3rd level increases by 216.36 % and its peak crush force (PCF) decreases by 0.24 % at the same mass. Finally, the effects of the wall thickness gradient (<em>k</em>) on the crashworthiness performance of #-FS and the hashtag-shaped gradient fractal core structure (#-GFS-<em>k</em>-SW) were systematically investigated.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"254 ","pages":"Article 114076"},"PeriodicalIF":7.6,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144070496","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Laser-beam powder bed fusion followed by laser-induced periodic surface structuring leads to antibacterial properties","authors":"Liwei Chen , Hiroyasu Kanetaka , Maiko Furuya , Kotone Yokota , Kyosuke Ueda , Naoki Takano , Masayoshi Mizutani","doi":"10.1016/j.matdes.2025.114078","DOIUrl":"10.1016/j.matdes.2025.114078","url":null,"abstract":"<div><div>The antibacterial properties of nanostructured surfaces depend on their micro/nanostructure size and wettability. Previous studies have demonstrated that laser-induced periodic surface structures (LIPSSs) can inhibit the adhesion of bacteria to the surface, making LIPSSs a promising approach to enhance the antibacterial performance of biomedical devices. Many medical devices have been fabricated via laser-beam powder bed fusion (PBF-LB) technology. Integrating LIPSSs with PBF-LB could further improve the antibacterial properties in medical devices. Unlike prior research that focused solely on the antibacterial properties of LIPSSs, we propose a novel method to fabricate a combined PBF-LB + LIPSS surface. In this approach, the workpiece is first fabricated using the PBF-LB process, followed by a picosecond laser irradiation of the side surface to generate LIPSSs. Experimental results indicate that the PBF-LB + LIPSSs significantly inhibits the attachment of Escherichia coli. This finding suggests that the method of PBF-LB + LIPSS has excellent potential for biomedical applications, offering enhanced antibacterial performance.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"254 ","pages":"Article 114078"},"PeriodicalIF":7.6,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143928824","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Materials & DesignPub Date : 2025-05-08DOI: 10.1016/j.matdes.2025.114064
Juan Guillermo Santos Macías , Kewei Chen , Alexandre Tanguy , Nathalie Isac , Maxime Vallet , Louis Cornet , Vincent Michel , Manas Vijay Upadhyay
{"title":"High-vacuum laser treatments enhance strength, ductility and fatigue limit of additively manufactured stainless steel","authors":"Juan Guillermo Santos Macías , Kewei Chen , Alexandre Tanguy , Nathalie Isac , Maxime Vallet , Louis Cornet , Vincent Michel , Manas Vijay Upadhyay","doi":"10.1016/j.matdes.2025.114064","DOIUrl":"10.1016/j.matdes.2025.114064","url":null,"abstract":"<div><div>Post-process laser scanning under high vacuum is proposed as a non-isothermal heat treatment to simultaneously refine the intragranular microstructure near the surface and reduce surface roughness, while preventing oxidation, to enhance the mechanical response of an alloy. This treatment is performed using laser spot sizes and scan speeds that produce higher temperature gradients and faster heating/cooling rates than those encountered during manufacturing. The effectiveness of this approach is demonstrated on laser-based direct energy deposited 316L stainless steel using parameters similar to those used in laser-based powder bed fusion. High vacuum (< 0.1 Pa) lasering is conducted inside a newly integrated continuous-wave laser and scanning electron microscope (CW Laser-SEM). The treatments result in an order-of-magnitude reduction in microsegregation cell sizes (from 2.2 to 0.3 µm) coinciding with 0.3 µm-diameter dense-walled dislocation cell structures, as well as in surface roughness (from 16.6 to 0.9 µm) of LDED 316L. For a parameter set in which the laser penetrates 14% of total depth (7% each on the two widest sample surfaces), significant enhancements are obtained in yield strength (31.11%), ductility (14.2%) and fatigue limit (25%). This approach has tremendous potential to alter microstructure and improve mechanical response of additively and conventionally manufactured alloys.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"254 ","pages":"Article 114064"},"PeriodicalIF":7.6,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143942520","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Materials & DesignPub Date : 2025-05-08DOI: 10.1016/j.matdes.2025.114047
Anastasiia Kholtobina, Ivor Lončarić
{"title":"Exploring elastic properties of molecular crystals with universal machine learning interatomic potentials","authors":"Anastasiia Kholtobina, Ivor Lončarić","doi":"10.1016/j.matdes.2025.114047","DOIUrl":"10.1016/j.matdes.2025.114047","url":null,"abstract":"<div><div>We benchmarked existing and newly trained universal machine learning interatomic potentials for modeling molecular crystals, particularly their elastic properties. We found that potentials trained on the SPICE dataset provide reasonable predictions of the elastic properties of molecular crystals that are as good as predictions made using density functional theory-based methods. Still, the uncertainty of predictions and difference to experimental values is relatively high (larger than 5 GPa for Young's modulus). We have performed a high-throughput study of the elastic properties of molecular crystals. We have found that some of the molecular crystals show negative linear compressibility and validated our results using density functional theory.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"254 ","pages":"Article 114047"},"PeriodicalIF":7.6,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143935560","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}