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Accelerating materials discovery in heterogeneous composition-property design spaces via collaborative Bayesian optimization 通过协同贝叶斯优化加速材料在异质成分-性能设计空间中的发现
IF 7.9 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-01 DOI: 10.1016/j.matdes.2025.115331
Tuba Dolar , Nicolò Maria della Ventura , Florent Mignerot , Zihan Wang , Hannah C. Howard , Christopher T. Kassner , Haydn N.G. Wadley , Daniel S. Gianola , Wei Chen
Adaptive learning implementations for materials design are challenged by the complex, nonlinear relationships between composition and properties, particularly in high-performance applications such as high-temperature compositionally complex refractory alloys. Traditional Bayesian optimization (BO) methods, which typically rely on a single Gaussian Process (GP) surrogate, often struggle to model heterogenous behaviors across the design domain. To address this limitation, we introduce collaborative BO as a multi-agent framework for materials discovery. In the context of optimizing compositions for desired properties, each agent models a specific subregion of the design space, where subregions share similar property trends, and exchanges information with the other agents to expedite exploration and design optimization. Comparative evaluations demonstrate that, when compared to single-agent BO and other approaches discussed in this article multi-agent BO allows flexible information-sharing protocols and effectively reduces iterations of adaptive learning while reliably delivering designs that meet the targeted mechanical properties. These findings provide novel insights into the behavior of refractory multi-component alloys, using the Hf-Ti-Ta-Nb system as a case study, and illustrate the potential of adaptive multi-agent learning in efficiently screening extensive materials libraries. Moreover, the framework is broadly applicable to other problems characterized by diverse data sources, where advanced optimization strategies are essential for accelerated materials discovery.
材料设计的自适应学习实现面临着复杂的、非线性的成分和性能之间的关系的挑战,特别是在高性能应用中,如高温成分复杂的耐火合金。传统的贝叶斯优化(BO)方法通常依赖于单个高斯过程(GP)代理,通常难以对跨设计领域的异构行为进行建模。为了解决这一限制,我们引入了协作BO作为材料发现的多代理框架。在优化所需属性组合的上下文中,每个代理对设计空间的特定子区域进行建模,其中子区域共享类似的属性趋势,并与其他代理交换信息以加快探索和设计优化。对比评估表明,与单智能体BO和本文讨论的其他方法相比,多智能体BO允许灵活的信息共享协议,有效地减少自适应学习的迭代,同时可靠地提供满足目标机械性能的设计。这些发现以Hf-Ti-Ta-Nb系统为例,对难熔多组分合金的行为提供了新的见解,并说明了自适应多智能体学习在有效筛选广泛的材料库方面的潜力。此外,该框架广泛适用于以不同数据源为特征的其他问题,其中先进的优化策略对于加速材料发现至关重要。
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引用次数: 0
Laser remelting as a surface modification strategy for wear resistance improvement in ultra-high-speed laser cladding fabricated H13 coatings 激光重熔是提高超高速激光熔覆H13涂层耐磨性的表面改性策略
IF 7.9 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-01 DOI: 10.1016/j.matdes.2025.115345
Yuhang Ding , Xishuang Jing , Yukai Sun , Yishu Wang , Wanyuan Gui
Ultra-high-speed laser cladding (UHSLC) technique is widely regarded as an effective and efficient method for depositing H13 coatings on 27SiMn steel, aiming at improving the wear resistance of 27SiMn steel and prolonging its service life. However, the inherent rapid heating and rapid solidification in UHSLC process frequently result in micro-cracks, severe elemental segregation, surface defects, and compromised mechanical properties. To address these challenges, high-speed laser remelting (HSLR) was employed as a post-treatment process. The results indicate that HSLR significantly reduces elemental segregation, minimizes cracks, and smooths the surface roughness, thus improving the integrity of H13 coatings. Specifically, with 2200 W remelting power, results revealed 41.5 % less surface roughness and 60.4 % reduced wear loss. In addition, the remelting process enhances wear resistance by promoting the refinement of microstructural, ensuring the long-term stability of coatings under harsh conditions. This study emphasizes the potential of combining UHSLC with HSLR to produce high performance coatings with excellent wear resistance and structural uniformity.
超高速激光熔覆(UHSLC)技术被广泛认为是在27SiMn钢表面沉积H13涂层的一种有效、高效的方法,旨在提高27SiMn钢的耐磨性,延长其使用寿命。然而,超高温合金固有的快速加热和快速凝固往往会导致微裂纹、严重的元素偏析、表面缺陷和力学性能下降。为了解决这些挑战,采用高速激光重熔(HSLR)作为后处理工艺。结果表明,HSLR能显著减少元素偏析,使裂纹最小化,并使表面粗糙度平滑,从而提高H13涂层的完整性。具体来说,在2200 W的重熔功率下,表面粗糙度降低了41.5%,磨损损失降低了60.4%。此外,重熔工艺通过促进微观组织的细化来提高耐磨性,确保涂层在恶劣条件下的长期稳定性。该研究强调了UHSLC与HSLR结合的潜力,以生产具有优异耐磨性和结构均匀性的高性能涂层。
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引用次数: 0
A unified model for microstructure-sensitive fatigue crack initiation across low and high cycle fatigue 低周疲劳和高周疲劳中微结构敏感裂纹萌生的统一模型
IF 7.9 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-01 DOI: 10.1016/j.matdes.2025.115382
Krzysztof S. Stopka, Michael D. Sangid
Microstructure-sensitive modeling has shown promise to reduce reliance on experimental test campaigns to determine fatigue performance. However, most existing fatigue life models use metrics focused solely on fatigue crack initiation (FCI), but which are calibrated against and validated with total fatigue life, leading to large errors, especially in the low cycle fatigue (LCF) regime. This work unifies coupon-level experiments and microstructure-sensitive crystal plasticity simulations by explicitly delineating between three stages of life: initiation, small crack growth, and long crack growth. We introduce a load-dependent non-local averaging regularization strategy that reveals microplasticity/hot spot confinement prevalent in high cycle fatigue (HCF) and slip transmission across grain boundaries in LCF. A single parameter, the critical value of the accumulated plastic strain energy density, governs both LCF and HCF, and the model reproduces experimental FCI lives and scatter across five orders of magnitude. Statistics of simulated fatigue hot spots are used to explain experimental trends of larger hot spot volumes encompassing more grains as load increases, and variability in microstructure features and resulting micromechanical fields directly tied to variability in the resulting fatigue life. The unification of LCF and HCF behavior is an important step to adopting model-based strategies for predictions of fatigue performance.
微结构敏感建模已经显示出减少对实验测试活动来确定疲劳性能的依赖的希望。然而,大多数现有的疲劳寿命模型使用的指标只关注疲劳裂纹起裂(FCI),但它们是根据总疲劳寿命进行校准和验证的,这导致了很大的误差,特别是在低周疲劳(LCF)状态下。这项工作通过明确描述起始、小裂纹扩展和长裂纹扩展这三个阶段的寿命,统一了耦合级实验和微结构敏感晶体塑性模拟。我们引入了一种载荷依赖的非局部平均正则化策略,揭示了高周疲劳(HCF)中普遍存在的微塑性/热点约束和LCF中跨晶界的滑移传递。一个单一的参数,即累积塑性应变能密度的临界值,控制着LCF和HCF,该模型再现了实验FCI寿命,并在五个数量级上分散。模拟疲劳热点的统计数据被用来解释随着载荷的增加,更大的热点体积包含更多的晶粒的实验趋势,以及微观结构特征和由此产生的微力学场的可变性与所产生的疲劳寿命的可变性直接相关。LCF和HCF行为的统一是采用基于模型的策略进行疲劳性能预测的重要步骤。
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引用次数: 0
Optimization of piezoelectric ceramics sintering process parameters based on multiple indirect quality indicators 基于多个间接质量指标的压电陶瓷烧结工艺参数优化
IF 7.9 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-01 DOI: 10.1016/j.matdes.2025.115363
Fei He , Chao Ma , Shan Wan , Xiaodong Wang , Linlin Zhang
The sintering process is a key factor affecting the quality of piezoelectric ceramics, characterized by a complex nonlinear relationship between process parameters and final product quality. This paper proposes a multi-objective parameter optimization model driven by quality prediction to enhance sintering performance. Relationships between key indirect quality indicators (grain size, relative density, and residual stress) and final product properties are established. A BOHB-CatBoost prediction model accurately predicts process parameter impacts, while NSGA-III and TOPSIS-Entropy methods are employed to optimize 15 sintering parameters. Optimal process parameters yield quality indicators of 6.592 μm grain size, 0.975 relative density, and 1.09 MPa residual stress. This study provides valuable insights into tunnel kiln sintering quality control for piezoelectric ceramics, offering guidance for industrial production.
烧结工艺是影响压电陶瓷质量的关键因素,其工艺参数与最终产品质量之间存在复杂的非线性关系。为了提高烧结性能,提出了一种质量预测驱动的多目标参数优化模型。建立了关键间接质量指标(粒度、相对密度和残余应力)与最终产品性能之间的关系。BOHB-CatBoost预测模型准确预测了工艺参数的影响,NSGA-III和TOPSIS-Entropy方法对15个烧结参数进行了优化。最优工艺参数的晶粒尺寸为6.592 μm,相对密度为0.975,残余应力为1.09 MPa。本研究为压电陶瓷隧道窑烧结质量控制提供了有价值的见解,为工业生产提供了指导。
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引用次数: 0
Nanomaterial-Engineered gelatin hydrogels for bone Regeneration: Synergistic microenvironment modulation and clinical translation strategies 纳米材料工程明胶水凝胶骨再生:协同微环境调节和临床翻译策略
IF 7.9 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-01 DOI: 10.1016/j.matdes.2025.115341
Chengzhe Yang, Xin Li, Youbin Li, Tengyue Liu, Lanfeng Huang
The repair of bone defects caused by trauma, infection, or congenital diseases faces significant challenges. In recent years, gelatin hydrogels enhanced with nanomaterials have shown great potential in the field of bone defect treatment. Due to their excellent biocompatibility, biomimetic extracellular matrix-like three-dimensional porous structure, and tunable degradation properties, gelatin hydrogels have become ideal materials for bone tissue engineering. However, their inadequate mechanical strength and limited osteoinductive properties restrict their clinical application. Studies have shown that the introduction of nanomaterials not only addresses the mechanical shortcomings of traditional hydrogels but also optimizes the bone repair microenvironment through mechanisms such as mimicking the natural bone tissue’s electrical microenvironment, scavenging reactive oxygen species (ROS), and regulating inflammatory responses. This systematic review synthesizes the latest progress in nanomaterial-enhanced gelatin hydrogels for bone regeneration, focusing on their synergistic effects across mechanical reinforcement, osteogenic differentiation, angiogenesis, immunomodulation, and controlled drug release. By elucidating how nanomaterial integration transforms gelatin hydrogels from passive scaffolds into intelligent microenvironments, it establishes a critical scientific foundation for next-generation bone regeneration strategies—providing actionable design principles to overcome clinical limitations and pioneering novel pathways for multifunctional, dynamically responsive bone repair systems.
创伤、感染或先天性疾病引起的骨缺损的修复面临重大挑战。近年来,纳米材料增强明胶水凝胶在骨缺损治疗领域显示出巨大的潜力。明胶水凝胶具有良好的生物相容性、仿生细胞外基质样三维多孔结构和可调节的降解性能,已成为骨组织工程的理想材料。然而,其机械强度不足,骨诱导性能有限,限制了其临床应用。研究表明,纳米材料的引入不仅解决了传统水凝胶的机械缺陷,而且通过模拟天然骨组织的电微环境、清除活性氧(ROS)、调节炎症反应等机制,优化了骨修复微环境。本文系统综述了纳米材料增强明胶水凝胶用于骨再生的最新进展,重点介绍了它们在机械增强、成骨分化、血管生成、免疫调节和药物控释等方面的协同作用。通过阐明纳米材料整合如何将明胶水凝胶从被动支架转变为智能微环境,它为下一代骨再生策略奠定了关键的科学基础——提供了可操作的设计原则,以克服临床局限性,并开创了多功能、动态响应的骨修复系统的新途径。
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引用次数: 0
Synergistic optimization of strength and ductility in layered ferrite-martensite dual-phase steel 层状铁素体-马氏体双相钢强度和延展性的协同优化
IF 7.9 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-01 DOI: 10.1016/j.matdes.2025.115428
Lei Hu , Liqin Zhang , Zilong Zhan , Hao Qin , Kaiming Wu
The development of ultrafine-grained (UFG) structural materials with high yield strength and superior ductility is crucial for the exploitation of marine energy.
This study employed a synergistic regulation strategy involving intercritical quenching and large-strain warm rolling (WR) to prepare a UFG layered ferrite-martensite (F-M) structure steel. The test steel exhibited a high yield strength of 830 ± 10 MPa, while maintaining an elongation of 23.7 %. The excellent performance is attributed to the significant dislocation strengthening effect induced by WR. This effect effectively reduces the hardness difference between microstructures (ΔHV < 1.2 GPa), thereby promoting coordinated deformation. Simultaneously, under the mutual constraint of a layered heterostructure, the dispersed shear bands (SBs) are activated and dynamically propagated, promoting uniform strain distribution and thereby sustaining homogeneous plastic deformation. Additionally, compared with equiaxed grains, the layered heterostructure possesses a higher density of F-M grain boundaries and a more matched geometric necessary dislocations (GNDs) accumulation characteristic length (lGND), promoting the rapid accumulation of GNDs to achieve significant heterogeneous deformation induced (HDI) strengthening (>500 MPa). The superior strength-ductility balance achieved in F-M steel, attained through the optimization of grain size and microstructural distribution, offers a novel strategy for developing high-performance marine steels.
开发具有高屈服强度和高延展性的超细晶结构材料是开发海洋能源的关键。本研究采用临界间淬火和大应变热轧(WR)的协同调节策略制备了一种UFG层状铁素体-马氏体(F-M)结构钢。试验钢的屈服强度为830±10 MPa,伸长率为23.7%。优异的性能是由于WR引起的明显的位错强化效应。这种效应有效地减小了微观组织之间的硬度差(ΔHV < 1.2 GPa),从而促进了协调变形。同时,在层状异质结构的相互约束下,分散的剪切带(SBs)被激活并动态扩展,促进了应变的均匀分布,从而维持了均匀的塑性变形。此外,与等轴晶相比,层状异质结构具有更高的F-M晶界密度和更匹配的几何必要位错(GNDs)积累特征长度(lGND),促进了GNDs的快速积累,实现了显著的非均质变形诱导(HDI)强化(>500 MPa)。F-M钢通过优化晶粒尺寸和微观组织分布实现了优异的强度-塑性平衡,为开发高性能船用钢提供了新的策略。
{"title":"Synergistic optimization of strength and ductility in layered ferrite-martensite dual-phase steel","authors":"Lei Hu ,&nbsp;Liqin Zhang ,&nbsp;Zilong Zhan ,&nbsp;Hao Qin ,&nbsp;Kaiming Wu","doi":"10.1016/j.matdes.2025.115428","DOIUrl":"10.1016/j.matdes.2025.115428","url":null,"abstract":"<div><div>The development of ultrafine-grained (UFG) structural materials with high yield strength and superior ductility is crucial for the exploitation of marine energy.</div><div>This study employed a synergistic regulation strategy involving intercritical quenching and large-strain warm rolling (WR) to prepare a UFG layered ferrite-martensite (F-M) structure steel. The test steel exhibited a high yield strength of 830 ± 10 MPa, while maintaining an elongation of 23.7 %. The excellent performance is attributed to the significant dislocation strengthening effect induced by WR. This effect effectively reduces the hardness difference between microstructures (ΔH<sub>V</sub> &lt; 1.2 GPa), thereby promoting coordinated deformation. Simultaneously, under the mutual constraint of a layered heterostructure, the dispersed shear bands (SBs) are activated and dynamically propagated, promoting uniform strain distribution and thereby sustaining homogeneous plastic deformation. Additionally, compared with equiaxed grains, the layered heterostructure possesses a higher density of F-M grain boundaries and a more matched geometric necessary dislocations (GNDs) accumulation characteristic length (<span><math><msub><mi>l</mi><mrow><mi>GND</mi></mrow></msub></math></span>), promoting the rapid accumulation of GNDs to achieve significant heterogeneous deformation induced (HDI) strengthening (&gt;500 MPa). The superior strength-ductility balance achieved in F-M steel, attained through the optimization of grain size and microstructural distribution, offers a novel strategy for developing high-performance marine steels.</div></div>","PeriodicalId":383,"journal":{"name":"Materials & Design","volume":"262 ","pages":"Article 115428"},"PeriodicalIF":7.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145898090","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}
引用次数: 0
Effect of cold rolling strain on the microstructural evolution in equimolar MoNbTaTiZr refractory complex concentrated alloy: Comprehensive characterization 冷轧应变对等摩尔MoNbTaTiZr难熔复合体浓合金组织演变的影响:综合表征
IF 7.9 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-01 DOI: 10.1016/j.matdes.2025.115393
Andrea Školáková , Haruka Katayama , Pavel Lejček , Orsolya Molnárová , Sadahiro Tsurekawa , Petr Veřtát , Jan Duchoň , Jaroslav Čech , Petr Svora , Ondřej Ekrt , Jan Pinc
This work presents a pilot study on a strained complex concentrated alloy based on refractory elements: MoNbTaTiZr. Initially, the as-cast and homogenization-annealed conditions were characterized. After casting, the alloy consists of two solid solutions with BCC 1 and BCC 2 crystal structures. Homogenization annealing promotes the growth, ordering, and refinement of the BCC 2 phase. TEM and AES analyses indicate possible Zr segregation at grain boundaries in the as-cast state. In contrast, annealing followed by cooling results in the formation of Ti-Zr-based particles without segregation. Subsequently, the annealed alloy was cold-rolled, and its microstructure was investigated. During rolling, grain fragmentation occurs within the structure. In addition to the two BCC solid solutions, a phase with an FCC crystal structure is identified after rolling. Its composition corresponds to the Zr2Ta phase, which is a Laves phase of the A2B type. Rotational relationships, relatively rare in rolled materials with BCC structures, are identified. The texture components found after 10 % rolling deformation are related to that present after 20 % deformation by a 45°〈 1 1 0〉 rotation, and this component is related to that appearing after 30 % deformation by a 20°〈1 0 0〉 rotation. No strong classical rolling texture develops; however, some specific orientation components and their rotational relationships can be observed. Schmid and Taylor factor maps demonstrate that, despite deformation, the alloy remains capable of further strain accumulation and plastic deformation. Twinning is also observed after rolling, which may be beneficial, as deformation twinning contributes to improved ductility in the alloy.
本文介绍了一种基于难熔元素的应变复合浓缩合金:MoNbTaTiZr的初步研究。首先,对铸态和均质退火条件进行了表征。铸造后,合金由两种固溶体组成,具有BCC 1和BCC 2晶体结构。均质退火促进了BCC 2相的生长、有序和细化。TEM和AES分析表明,铸态晶界处可能存在Zr偏析。相反,退火后再冷却会形成没有偏析的ti - zr基颗粒。然后对退火后的合金进行冷轧,研究其显微组织。在轧制过程中,组织内部发生晶粒碎裂。除了两种BCC固溶体外,轧制后还发现了一种具有FCC晶体结构的相。其组成对应于Zr2Ta相,为A2B型Laves相。旋转关系,相对罕见的轧制材料与BCC结构,被确定。10%轧制变形后出现的织构成分与45°< 110 >旋转20%变形后出现的织构成分相关,该织构成分与20°< 100 >旋转30%变形后出现的织构成分相关。没有形成强烈的经典滚动织构;然而,可以观察到一些特定的取向成分及其旋转关系。施密德和泰勒因子图表明,尽管变形,合金仍然能够进一步的应变积累和塑性变形。轧制后还观察到孪晶,这可能是有益的,因为变形孪晶有助于提高合金的延展性。
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引用次数: 0
Scalable numerical method for predicting shot peening residual stresses considering the effect of previous residual stress states 考虑先前残余应力状态影响的喷丸残余应力预测的可扩展数值方法
IF 7.9 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-01 DOI: 10.1016/j.matdes.2025.115353
G. Cortabitarte, U. Etxeberria, I. Llavori, M. Larrañaga, J.A. Esnaola, X. Telleria, I. Ulacia
Shot Peening (SP) is widely used to enhance fatigue resistance by inducing compressive residual stresses near metallic surfaces. Conventional finite element methods (FEM) for SP are computationally prohibitive, requiring fine meshes, explicit solvers and thousands of impacts, limiting simulations to ≈1 mm2. This study introduces a scalable and efficient Contact Force Mapping (CFM) method, which replaces explicit shot modelling with equivalent nodal forces extracted from local multi-shot FEM submodels. CFM was first validated against conventional FEM simulations in the absence of pre-existing residual stresses, achieving excellent agreement with a normalized root-mean-square error (NRMSE) of 2.36 % in the residual stress profiles. Importantly, the method also accurately reproduces cases with pre-existing residual stresses, with NRMSE values below 4 % for both tensile and compressive initial conditions, confirming its robustness in realistic manufacturing scenarios. The computational efficiency is markedly improved: while FEM time grows exponentially with the treated surface area, CFM exhibits a nearly linear trend, enabling large-scale simulations. Experimental validation on Almen strips, specimens for SP process control, showed excellent agreement between numerical and experimental residual stresses (measured by X-ray diffraction and hole-drilling) and curvatures. Overall, CFM provides a fast, accurate, and scalable framework for realistic SP simulations on large and complex geometries.
喷丸强化(SP)是一种通过在金属表面附近产生残余压应力来增强抗疲劳性能的方法。SP的传统有限元方法(FEM)在计算上令人难以接受,需要精细的网格、显式求解器和数千次冲击,将模拟限制在≈1 mm2。本文提出了一种可扩展的、高效的接触力映射(CFM)方法,该方法用从局部多弹有限元子模型中提取的等效节点力取代显式弹丸建模。CFM首先在没有预先存在的残余应力的情况下通过传统FEM模拟进行验证,在残余应力剖面中获得了与归一化均方根误差(NRMSE) 2.36%的良好一致性。重要的是,该方法还准确地再现了存在残余应力的情况,在拉伸和压缩初始条件下,NRMSE值均低于4%,证实了其在实际制造场景中的鲁棒性。计算效率显著提高:FEM时间随处理表面积呈指数增长,而CFM则呈近似线性趋势,可实现大规模模拟。对用于SP工艺控制的Almen条带的实验验证表明,数值和实验残余应力(通过x射线衍射和钻孔测量)和曲率之间具有良好的一致性。总体而言,CFM为大型复杂几何形状的逼真SP模拟提供了快速、准确和可扩展的框架。
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引用次数: 0
Influence of oxygen plasma on the material properties of Two-Photon polymerized microstructures 氧等离子体对双光子聚合微结构材料性能的影响
IF 7.9 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-01 DOI: 10.1016/j.matdes.2025.115357
Jone M. Elorrieta , George Mathew , Clara Garcia-Sacristan , Jorge A.L. Solaiman , Livia Martegiani , Ricardo García , Eider Berganza
O2 plasma exposure is a convenient postprocessing method for refining 3D microstructures fabricated by two-photon polymerization, which provides an effective way to achieve sub-micrometer resolution with remarkable feature control. Unlike pyrolysis, which despite being a widespread methodology to decrease feature size, it alters the properties of the bulk material, O2 plasma etching primarily modifies the surface. In this work, we explore the influence of plasma etching treatments on the material properties of 3D microstructures. We examine the resulting modifications to key parameters relevant to various applications: surface roughness, mechanical properties, and material composition. Our findings reveal a two-stage effect: low exposure times reduce surface roughness, while prolonged exposure leads to an increase in roughness. Nanomechanical properties are strongly affected, with the Young’s modulus of the surface increasing by an order of magnitude, indicating a stiffening effect. Raman spectroscopy evidences that the observed stiffening is not due to the formation of a carbonized layer but rather due to further crosslinking. These results highlight the need to carefully evaluate the impact of O2 plasma etching on the final properties of 2PP microstructures when designing fabrication processes to ensure the necessary physical and chemical properties for the desired application.
O2等离子体曝光是一种方便的后处理方法,可用于细化双光子聚合制备的三维微结构,为实现亚微米分辨率和显著的特征控制提供了有效途径。尽管热解是一种广泛使用的减小特征尺寸的方法,但它改变了大块材料的性质,O2等离子体蚀刻主要是改变表面。在这项工作中,我们探讨了等离子体蚀刻处理对三维微结构材料性能的影响。我们研究了与各种应用相关的关键参数的修改结果:表面粗糙度,机械性能和材料成分。我们的研究结果揭示了两阶段效应:低曝光时间降低表面粗糙度,而长时间曝光导致粗糙度增加。纳米力学性能受到强烈影响,表面的杨氏模量增加了一个数量级,表明有硬化效应。拉曼光谱证明,观察到的硬化不是由于碳化层的形成,而是由于进一步的交联。这些结果强调,在设计制造工艺时,需要仔细评估O2等离子体蚀刻对2PP微结构最终性能的影响,以确保所需应用所需的物理和化学性能。
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引用次数: 0
Machine learning-enhanced constitutive modeling of hot deformation in FeCr1.2Ni1.5Al multi-principle element alloys: A denoising neural network approach 基于机器学习的fer1.2 ni1.5 al多元合金热变形本构建模:一种去噪神经网络方法
IF 7.9 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-01 DOI: 10.1016/j.matdes.2025.115349
Ling Qiao , Junya Inoue , Jingchuan Zhu
This work integrated artificial intelligence (AI) and hot processing maps to offer a powerful framework for optimizing hot deformation processes of FeCr1.2Ni1.5Al MPEAs. Benefiting from superior noise handling, the Wavelet Neural Network (WNN) model was innovatively proposed to construct constitutive model, which had been demonstrated high accuracy and reliability in predicting flow stress as a function of temperature, strain rate, and strain. The wavelet decomposition allowed WNN to analyze stress-strain behavior at different frequency levels, effectively identifying localized and global trends in mechanical response. Using the constitutive models, we constructed hot processing maps to identify optimal hot working conditions at temperatures of (>1050 C) with strain rates of (<0.01s1), revealing safe processing windows. The deformed microstructural results provided detailed insights into grain orientation, grain boundary characteristics, local misorientations, and texture development, further elucidating the underlying deformation mechanisms. The higher temperatures enhanced dynamic recrystallization (DRX) and dynamic recovery (DRV), producing fine equiaxed grains, while lower temperatures led to deformation bands and high dislocation densities. The higher strain rates promoted deformation-dominated microstructures, while lower strain rates favored DRX and grain refinement. The findings provided a comprehensive understanding of the microstructure-property relationships under different deformation conditions, paving the way for the development of advanced materials with tailored properties for high-performance applications.
本研究将人工智能(AI)与热加工图相结合,为优化FeCr1.2Ni1.5Al mpea的热变形工艺提供了一个强大的框架。利用小波神经网络(WNN)模型具有较好的噪声处理能力,创新性地构建了本构模型,该模型在预测温度、应变速率和应变随流动应力的变化方面具有较高的准确性和可靠性。小波分解允许小波神经网络分析不同频率水平下的应力-应变行为,有效识别局部和全局机械响应趋势。利用本构模型,我们构建了热加工图,以确定温度为(>1050°C)、应变率为(<0.01s−1)时的最佳热加工条件,揭示安全加工窗口。变形的显微组织结果为晶粒取向、晶界特征、局部取向偏差和织构发展提供了详细的见解,进一步阐明了潜在的变形机制。较高的温度增强了动态再结晶(DRX)和动态回复(DRV),形成细小的等轴晶粒,而较低的温度导致变形带和高的位错密度。较高的应变速率促进了变形主导的组织,而较低的应变速率有利于DRX和晶粒细化。研究结果提供了对不同变形条件下微结构-性能关系的全面理解,为开发具有高性能应用的定制性能的先进材料铺平了道路。
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Materials & Design
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