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Current Opinion in Solid State & Materials Science最新文献

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Recent advances in describing and driving crystal nucleation using machine learning and artificial intelligence 利用机器学习和人工智能描述和驱动晶体成核的最新进展
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-08-01 DOI: 10.1016/j.cossms.2023.101093
Eric R. Beyerle , Ziyue Zou , Pratyush Tiwary

With the advent of faster computer processors and especially graphics processing units (GPUs) over the last few decades, the use of data-intensive machine learning (ML) and artificial intelligence (AI) has increased greatly, and the study of crystal nucleation has been one of the beneficiaries. In this review, we outline how ML and AI have been applied to address four outstanding difficulties of crystal nucleation: how to discover better reaction coordinates (RCs) for describing accurately non-classical nucleation situations; the development of more accurate force fields for describing the nucleation of multiple polymorphs or phases for a single system; more robust identification methods for determining crystal phases and structures; and as a method to yield improved course-grained models for studying nucleation.

在过去的几十年里,随着更快的计算机处理器,特别是图形处理单元(GPU)的出现,数据密集型机器学习(ML)和人工智能(AI)的使用大大增加,晶体成核的研究是受益者之一。在这篇综述中,我们概述了ML和AI是如何应用于解决晶体成核的四个突出困难的:如何发现更好的反应坐标(RC)来准确描述非经典成核情况;开发更精确的力场,用于描述单个系统的多个多晶型物或相的成核;用于确定晶相和结构的更稳健的识别方法;以及作为产生用于研究成核的改进的粗粒度模型的方法。
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引用次数: 1
Nanoindentation in more than one dimension – Experimental challenges and opportunities 纳米压痕在多个维度-实验的挑战和机遇
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-08-01 DOI: 10.1016/j.cossms.2023.101100
John B. Pethica

The current status of nanoindentation apparatus and the requirements for extension to more than one dimension of loading is described. It is possible, though not trivial, to adequately characterise the stiffnesses and couplings present in a frictional contact and thus expand the present use of nanoindentation to important new areas. The example of static friction is discussed to show that complete machine characterisation is required if true interface mechanical properties and friction coefficients are to be correctly measured.

介绍了纳米压痕仪的现状和对扩展到一个以上载荷维度的要求。这是可能的,虽然不是微不足道的,充分表征刚度和耦合存在于摩擦接触,从而扩大纳米压痕目前的使用到重要的新领域。讨论了静摩擦的例子,表明如果要正确测量真实的界面力学性能和摩擦系数,则需要完整的机器特征。
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引用次数: 1
Machine learning aided nanoindentation: A review of the current state and future perspectives 机器学习辅助纳米压痕:现状和未来展望的回顾
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-08-01 DOI: 10.1016/j.cossms.2023.101091
Eli Saùl Puchi-Cabrera , Edoardo Rossi , Giuseppe Sansonetti , Marco Sebastiani , Edoardo Bemporad

The solution of instrumented indentation inverse problems by physically-based models still represents a complex challenge yet to be solved in metallurgy and materials science. In recent years, Machine Learning (ML) tools have emerged as a feasible and more efficient alternative to extract complex microstructure-property correlations from instrumented indentation data in advanced materials. On this basis, the main objective of this review article is to summarize the extent to which different ML tools have been recently employed in the analysis of both numerical and experimental data obtained by instrumented indentation testing, either using spherical or sharp indenters, particularly by nanoindentation. Also, the impact of using ML could have in better understanding the microstructure-mechanical properties-performance relationships of a wide range of materials tested at this length scale has been addressed.

The analysis of the recent literature indicates that a combination of advanced nanomechanical/microstructural characterization with finite element simulation and different ML algorithms constitutes a powerful tool to bring ground-breaking innovation in materials science. These research means can be employed not only for extracting mechanical properties of both homogeneous and heterogeneous materials at multiple length scales, but also could assist in understanding how these properties change with the compositional and microstructural in-service modifications. Furthermore, they can be used for design and synthesis of novel multi-phase materials.

基于物理模型的仪器压痕反演问题的求解仍然是冶金和材料科学领域一个有待解决的复杂挑战。近年来,机器学习(ML)工具已经成为一种可行且更有效的替代方法,可以从先进材料的仪器压痕数据中提取复杂的微观结构-性能相关性。在此基础上,这篇综述文章的主要目的是总结不同的机器学习工具最近在分析仪器压痕测试获得的数值和实验数据时所采用的程度,无论是使用球形压痕还是锋利的压痕,特别是通过纳米压痕。此外,使用机器学习的影响可以更好地理解在这种长度尺度上测试的各种材料的微观结构-机械性能-性能关系。对近期文献的分析表明,先进的纳米力学/微观结构表征与有限元模拟和不同ML算法的结合构成了材料科学突破性创新的强大工具。这些研究手段不仅可以用于提取均质和非均质材料在多个长度尺度上的力学性能,而且可以帮助了解这些性能如何随着成分和微观组织的修改而变化。此外,它们还可用于设计和合成新型多相材料。
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引用次数: 5
Advances and opportunities in high-throughput small-scale mechanical testing 高通量小规模机械测试的进展与机遇
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-08-01 DOI: 10.1016/j.cossms.2023.101090
Daniel S. Gianola , Nicolò Maria della Ventura , Glenn H. Balbus , Patrick Ziemke , McLean P. Echlin , Matthew R. Begley

The quest for novel materials used in technologies demanding extreme performance has been accelerated by advances in computational materials screening, additive manufacturing routes, and characterization probes. Despite tremendous progress, the pace of adoption of new materials has still not met the promise of global initiatives in materials discovery. This challenge is particularly acute for structural materials with thermomechanical and environmental demands whose performance depends on microstructure as well as material composition. In this prospective article, we review advances in high-throughput mechanical testing, and the associated specimen fabrication, materials characterization, and modeling tasks that show promise for acceleration of the materials development cycle. We identify a critical need to develop rapid testing and characterization strategies that faithfully reproduce design-relevant properties and circumvent the time and expense of conventional high fidelity testing. We identify small-scale mechanical testing workflows that can incorporate real-time decision making based on feedback from multimodal characterization and computational modeling. These workflows will require site-specific specimen fabrication procedures that are agnostic to the synthesis route and have the ability to modulate microstructure and defect characteristics. We close our review by conceptualizing a fully integrated high-throughput testing platform that addresses the speed-fidelity tradeoff in pursuit of a design-relevant suite of properties for new materials.

计算材料筛选、增材制造路线和表征探针的进步加速了对新材料的探索,这些新材料用于要求极端性能的技术。尽管取得了巨大的进步,但采用新材料的步伐仍未达到全球材料发现倡议的承诺。对于具有热机械和环境要求的结构材料来说,这一挑战尤其严峻,其性能取决于微观结构和材料成分。在这篇前瞻性的文章中,我们回顾了高通量机械测试的进展,以及相关的样品制造、材料表征和建模任务,这些任务显示了加速材料开发周期的希望。我们确定了开发快速测试和表征策略的关键需求,这些策略可以忠实地再现与设计相关的特性,并规避传统高保真测试的时间和费用。我们确定了小规模的机械测试工作流程,可以结合基于多模态表征和计算建模反馈的实时决策。这些工作流程将需要特定地点的样品制造程序,这些程序与合成路线无关,并且具有调节微观结构和缺陷特征的能力。我们通过概念化一个完全集成的高通量测试平台来结束我们的审查,该平台解决了在追求与新材料设计相关的性能套件时的速度-保真度权衡。
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引用次数: 2
Recent research progress of alloy-containing lithium anodes in lithium-metal batteries 锂金属电池含合金锂阳极研究进展
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-06-01 DOI: 10.1016/j.cossms.2023.101079
Mengqi Zhu, Xufeng Zhao, Rongzhi Yan, Jindan Zhang

Lithium metal is regarded as one of the most ideal anode materials for next-generation batteries, due to its high theoretical capacity of 3860 mAh g−1 and low redox potential (−3.04 V vs standard hydrogen electrode). However, practical applications of lithium anodes are impeded by the uncontrollable growth of lithium dendrite and continuous reactions between lithium and electrolyte during cycling processes. According to reports for decades, artificial solid electrolyte interface (SEI), electrolyte additives, and construction of three-dimensional (3D) structures are demonstrated essential strategies. Among numerous approaches, metals that can alloy with lithium have been employed to homogenize lithium deposition and accelerate Li ion transportation, which attract more and more attention. This review aims to summarize the lithium alloying applied in lithium anodes including the fabricating approaches of alloy-containing lithium anodes, and the action mechanism and challenges of fabricated lithium anodes. Based on summarizing the literature, shortcomings and challenges as well as the prospects are also analyzed, to impel further research of lithium anodes and lithium-based batteries.

金属锂具有3860 mAh g - 1的高理论容量和低氧化还原电位(与标准氢电极相比为- 3.04 V),被认为是下一代电池最理想的负极材料之一。然而,锂枝晶的不可控生长和循环过程中锂与电解质的持续反应阻碍了锂阳极的实际应用。根据几十年来的报道,人工固体电解质界面(SEI),电解质添加剂和三维结构的构建是证明的基本策略。在众多的方法中,可以与锂合金的金属被用于均匀锂沉积和加速锂离子的输运,越来越受到人们的关注。本文综述了锂合金在锂阳极中的应用,包括含合金锂阳极的制备方法,以及制备锂阳极的作用机理和面临的挑战。在总结文献的基础上,分析了锂阳极和锂基电池的不足和挑战,并展望了未来的发展前景,以推动锂阳极和锂基电池的进一步研究。
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引用次数: 4
Understanding how bacterial collectives organize on surfaces by tracking surfactant flow 通过跟踪表面活性剂的流动,了解细菌如何在表面上聚集
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-06-01 DOI: 10.1016/j.cossms.2023.101080
Summer Kasallis , Jean-Louis Bru , Rendell Chang , Quantum Zhuo , Albert Siryaporn

Swarming is a collective bacterial behavior in which a dense population of bacterial cells moves over a porous surface, resulting in the expansion of the population. This collective behavior can guide bacteria away from potential stressors such as antibiotics and bacterial viruses. However, the mechanisms responsible for the organization of swarms are not understood. Here, we briefly review models that are based on bacterial sensing and fluid mechanics that are proposed to guide swarming in the pathogenic bacterium Pseudomonas aeruginosa. To provide further insight into the role of fluid mechanics in P. aeruginosa swarms, we track the movement of tendrils and the flow of surfactant using a novel technique that we have developed, Imaging of Reflected Illuminated Structures (IRIS). Our measurements show that tendrils and surfactants form distinct layers that grow in lockstep with each other. The results raise new questions about existing swarming models and the possibility that the flow of surfactants impacts tendril development. These findings emphasize that swarm organization involves an interplay between biological processes and fluid mechanics.

蜂群是一种细菌的集体行为,在这种行为中,密集的细菌细胞群在多孔表面上移动,导致种群的扩张。这种集体行为可以引导细菌远离潜在的压力源,如抗生素和细菌病毒。然而,负责组织群体的机制尚不清楚。在这里,我们简要回顾了基于细菌传感和流体力学的模型,这些模型被提出用于指导病原菌铜绿假单胞菌的蜂群。为了进一步深入了解P. aeruginosa菌群中流体力学的作用,我们利用我们开发的一种新技术——反射照明结构成像(IRIS)来跟踪卷须的运动和表面活性剂的流动。我们的测量表明,卷须和表面活性剂形成了不同的层,它们彼此同步生长。这些结果对现有的蜂群模型和表面活性剂的流动影响卷须发育的可能性提出了新的问题。这些发现强调群体组织涉及生物过程和流体力学之间的相互作用。
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引用次数: 2
Liquid crystalline elastomer actuators with dynamic covalent bonding: Synthesis, alignment, reprogrammability, and self-healing 具有动态共价键的液晶弹性体致动器:合成、排列、可编程性和自我修复
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-06-01 DOI: 10.1016/j.cossms.2023.101076
Gautam Das, Soo-Young Park

Liquid crystalline elastomers (LCEs) have demonstrated tremendous potential in applications such as soft robotics, biomedical materials, electronics, sensors, and biomimetic systems. The physical properties of LCEs are controlled by the degree of crosslinking, nature of the mesogens, and mesogen orientation in the LCE network structure. A wide range of dynamic covalent bonds (DCBs) capable of dynamic bond exchange reactions (DBERs) have been introduced into LCE structures to obtain intelligent materials in recent decades. In this review article, we discuss the molecular constitution, macrostructure, morphing mechanism, recent advances in LCEs with dynamic covalent bonds, the influence of DCBs on self-healing, reprogramming and reprocessing properties of LCE actuators, and challenges and opportunities in incorporating dynamic chemistry in the field of LCE actuators.

液晶弹性体(LCEs)在软机器人、生物医学材料、电子、传感器和仿生系统等应用中显示出巨大的潜力。LCE的物理性质受LCE网络结构中交联程度、介元性质和介元取向的控制。近几十年来,各种能够进行动态键交换反应(DBERs)的动态共价键(DCBs)被引入到LCE结构中以获得智能材料。本文综述了动态共价键LCE的分子组成、宏观结构、变形机理、动态共价键LCE的最新研究进展、dcb对LCE致动器自愈、重编程和再加工性能的影响,以及动态化学在LCE致动器领域应用的挑战和机遇。
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引用次数: 4
The Gibson-Ashby model for additively manufactured metal lattice materials: Its theoretical basis, limitations and new insights from remedies 增材制造金属晶格材料的Gibson-Ashby模型:理论基础、局限性和补救的新见解
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-06-01 DOI: 10.1016/j.cossms.2023.101081
Haozhang Zhong , Tingting Song , Chuanwei Li , Raj Das , Jianfeng Gu , Ma Qian

The Gibson-Ashby (G-A) model has been instrumental in the design of additively manufactured (AM-ed) metal lattice materials or mechanical metamaterials. The first part of this work reviews the proposition and formulation of the G-A model and emphasizes that the G-A model is only applicable to low-density lattice materials with strut length-to-diameter ratios greater than 5. The second part evaluates the applicability of the G-A model to AM-ed metal lattice materials and reveals the fundamental disconnections between them. The third part assesses the deformation mechanisms of AM-ed metal lattices in relation to their strut length-to-diameter ratios and identifies that AM-ed metal lattices deform by concurrent bending, stretching, and shear, rather than just stretching or bending considered by the G-A model. Consequently, mechanical property models coupling stretching, bending and shear deformation mechanisms are developed for various lattice materials, which show high congruence with experimental data. The last part discusses new insights obtained from these remedies into the design of strong and stiff metal lattices. In particular, we recommend that the use of inclined struts be avoided.

Gibson-Ashby (G-A)模型在增材制造(AM-ed)金属晶格材料或机械超材料的设计中发挥了重要作用。本文第一部分回顾了G-A模型的命题和公式,强调G-A模型仅适用于支撑长径比大于5的低密度点阵材料。第二部分评估了G-A模型对AM-ed金属晶格材料的适用性,并揭示了它们之间的基本脱节。第三部分评估了AM-ed金属晶格的变形机制,与它们的支撑长度与直径比有关,并确定了AM-ed金属晶格的变形是通过同时弯曲、拉伸和剪切进行的,而不仅仅是G-A模型所考虑的拉伸或弯曲。建立了多种晶格材料的拉伸、弯曲和剪切耦合力学性能模型,与实验数据具有较高的一致性。最后一部分讨论了从这些补救措施中获得的新见解,以设计坚固和坚硬的金属晶格。特别是,我们建议避免使用倾斜支柱。
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引用次数: 8
Rational design of high-entropy ceramics based on machine learning – A critical review 基于机器学习的高熵陶瓷的合理设计综述
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-04-01 DOI: 10.1016/j.cossms.2023.101057
Jun Zhang , Xuepeng Xiang , Biao Xu , Shasha Huang , Yaoxu Xiong , Shihua Ma , Haijun Fu , Yi Ma , Hongyu Chen , Zhenggang Wu , Shijun Zhao

High-entropy materials provide a versatile platform for the rational design of novel candidates with exotic performances. Recently, it has been demonstrated that high-entropy ceramics (HECs), depending on their compositions, show great application potential because of their superior structural and functional properties. However, the immense phase space behind HECs significantly hinders the efficient design and exploitation of high-performance HECs through traditional trial-and-error experiments and expensive ab-initio calculations. Machine learning (ML), on the other hand, has become a popular approach to accelerate the discovery of HECs and screen HECs with exceptional properties. In this article, we review the recent progress of ML applications in discovering and designing novel HECs, including carbides, nitrides, borides, and oxides. We thoroughly discuss different ingredients that are involved in ML applications in HECs, including data collection, feature engineering, model refinement, and prediction performance improvement. We finally provide an outlook on the challenges and development directions of future ML models for HEC predictions.

高熵材料为合理设计具有奇异性能的新型候选材料提供了一个通用的平台。近年来,高熵陶瓷由于其优异的结构和功能性能,在不同的材料组成中显示出巨大的应用潜力。然而,hec背后巨大的相空间极大地阻碍了通过传统的试错实验和昂贵的从头计算来高效设计和开发高性能hec。另一方面,机器学习(ML)已经成为加速发现hec和筛选具有特殊属性的hec的流行方法。在这篇文章中,我们回顾了机器学习在发现和设计新型HECs方面的最新进展,包括碳化物、氮化物、硼化物和氧化物。我们深入讨论了在hec中涉及ML应用的不同成分,包括数据收集、特征工程、模型改进和预测性能改进。最后展望了未来机器学习模型在HEC预测中的挑战和发展方向。
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引用次数: 5
Superplasticity of fine-grained magnesium alloys for biomedical applications: A comprehensive review 生物医学用细晶镁合金的超塑性研究进展
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-04-01 DOI: 10.1016/j.cossms.2023.101058
Zeinab Savaedi, Reza Motallebi, Hamed Mirzadeh, Rouhollah Mehdinavaz Aghdam, Reza Mahmudi

The superplastic behavior of medical magnesium alloys is reviewed in this overview article. Firstly, the basics of superplasticity and superplastic forming via grain boundary sliding (GBS) as the main deformation mechanism are discussed. Subsequently, the biomedical Mg alloys and their properties are tabulated. Afterwards, the superplasticity of biocompatible Mg-Al, Mg-Zn, Mg-Li, and Mg-RE (rare earth) alloys is critically discussed, where the influence of grain size, hot deformation temperature, and strain rate on the tensile ductility (elongation to failure) is assessed. Moreover, the thermomechanical processing routes (e.g. by dynamic recrystallization (DRX)) and severe plastic deformation (SPD) methods for grain refinement and superplasticity in each alloying system are introduced. The importance of thermal stability (thermostability) of the microstructure against the grain coarsening (grain growth) is emphasized, where the addition of alloying elements for the formation of thermally stable pinning particles and segregation of solutes at grain boundaries are found to be major controlling factors. It is revealed that superplasticity at very high temperatures can be achieved in the presence of stable rare-earth intermetallics. On the other hand, the high-strain-rate superplasticity and low-temperature superplasticity in Mg alloys with great potential for industrial applications are summarized. In this regard, it is shown that the ultrafine-grained (UFG) duplex Mg-Li alloys might show remarkable superplasticity at low temperatures. Finally, the future prospects and distinct research suggestions are summarized. Accordingly, this paper presents the opportunities that superplastic Mg alloys can offer for the biomedical industries.

本文综述了医用镁合金的超塑性行为。首先,讨论了晶界滑动超塑性和晶界滑动超塑性成形的基本原理。随后,对医用镁合金及其性能进行了制表。随后,对生物相容性Mg-Al、Mg-Zn、Mg-Li和Mg-RE(稀土)合金的超塑性进行了详细讨论,并评估了晶粒尺寸、热变形温度和应变速率对拉伸延展性(断裂伸长率)的影响。此外,还介绍了各合金体系的热机械加工路线(如动态再结晶法)和强塑性变形法(SPD),以实现晶粒细化和超塑性。强调了显微组织的热稳定性(热稳定性)对晶粒粗化(晶粒长大)的重要性,其中发现合金元素的添加对形成热稳定的钉住颗粒和溶质在晶界的偏析是主要的控制因素。结果表明,在稳定的稀土金属间化合物存在的情况下,在非常高的温度下可以实现超塑性。另一方面,总结了具有工业应用潜力的镁合金的高应变速率超塑性和低温超塑性。结果表明,超细晶(UFG)双相Mg-Li合金在低温下可能表现出显著的超塑性。最后,总结了未来的研究前景和明确的研究建议。因此,本文提出了超塑性镁合金可以为生物医学工业提供的机会。
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引用次数: 11
期刊
Current Opinion in Solid State & Materials Science
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