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Machine learning models in phononic metamaterials 声波超材料中的机器学习模型
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-02-01 Epub Date: 2023-12-19 DOI: 10.1016/j.cossms.2023.101133
Chen-Xu Liu , Gui-Lan Yu , Zhanli Liu

Machine learning opens up a new avenue for advancing the development of phononic crystals and elastic metamaterials. Numerous learning models have been employed and developed to address various challenges in the field of phononic metamaterials. Here, we provide an overview of mainstream machine learning models applied to phononic metamaterials, discuss their capabilities as well as limitations, and explore potential directions for future research.

机器学习为推动声波晶体和弹性超材料的发展开辟了一条新途径。为应对声波超材料领域的各种挑战,人们采用并开发了大量学习模型。在此,我们概述了应用于声波超材料的主流机器学习模型,讨论了它们的能力和局限性,并探讨了未来研究的潜在方向。
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引用次数: 0
Deep learning for nano-photonic materials – The solution to everything!? 纳米光子材料的深度学习--一切的解决方案!?
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-02-01 Epub Date: 2023-12-14 DOI: 10.1016/j.cossms.2023.101129
Peter R. Wiecha

Deep learning is currently being hyped as an almost magical tool for solving all kinds of difficult problems that computers have not been able to solve in the past. Particularly in the fields of computer vision and natural language processing, spectacular results have been achieved. The hype has now infiltrated several scientific communities. In (nano-) photonics, researchers are trying to apply deep learning to all kinds of forward and inverse problems. A particularly challenging problem is for instance the rational design of nanophotonic materials and devices. In this opinion article, I will first discuss the public expectations of deep learning and give an overview of the quite different scales at which actors from industry and research are operating their deep learning models. I then examine the weaknesses and dangers associated with deep learning. Finally, I’ll discuss the key strengths that make this new set of statistical methods so attractive, and review a personal selection of opportunities that shouldn’t be missed in the current developments.

深度学习目前被吹捧为一种近乎神奇的工具,可以解决过去计算机无法解决的各种难题。特别是在计算机视觉和自然语言处理领域,已经取得了惊人的成果。这种炒作现在已经渗透到几个科学界。在(纳米)光子学中,研究人员正在尝试将深度学习应用于各种正、逆问题。例如,纳米光子材料和器件的合理设计是一个特别具有挑战性的问题。在这篇观点文章中,我将首先讨论公众对深度学习的期望,并概述来自行业和研究人员操作深度学习模型的不同规模。然后,我分析了与深度学习相关的弱点和危险。最后,我将讨论使这套新统计方法如此吸引人的主要优势,并回顾当前发展中不应错过的个人选择机会。
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引用次数: 0
Predicting displacement damage for ion irradiation: Origin of the overestimation of vacancy production in SRIM full-cascade calculations 离子辐照位移损伤预测:SRIM全级联计算中空位产生高估的原因
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-12-01 Epub Date: 2023-10-18 DOI: 10.1016/j.cossms.2023.101120
Yan-Ru Lin , Steven J. Zinkle , Christophe J. Ortiz , Jean-Paul Crocombette , Roger Webb , Roger E. Stoller

Ion irradiation and implantation have wide applications that demand accurate determination of displacement damage profile and distribution of implanted ion concentration. The prediction of vacancies is especially important to determine displacements per atom (dpa), the standard parameter of primary radiation damage in materials. However, significant discrepancies exist in estimations of vacancies between full-cascade (F-C) and quick calculation (Q-C) options in the popular computer code SRIM. This study inspected the SRIM code and a relatively new code called Iradina, which uses a similar methodology, to develop an understanding of the origin of vacancy overestimation in the F-C options for SRIM and Iradina. We found that the default values of thresholds (namely final energy in SRIM and replacement energy in Iradina) in displacement production calculations results in excessively large number of calculated vacancies and very few replacements. After conducting multiple calculations using SRIM, Iradina, and MARLOWE (all based on the binary collision approximation), a comparison of the results indicates that there is a shortcoming in the SRIM and Iradina F-C methodology for treating near-threshold collisions. This issue is responsible for the deficiency of replacements and excess of calculated vacancies in the SRIM and Iradina F-C results. Drawing on the principles of collision physics, we propose recommendations for modifying the source codes to address these issues.

离子辐照和注入具有广泛的应用,但需要准确测定注入离子浓度的位移、损伤分布和分布。空位的预测对于确定材料初次辐射损伤的标准参数-原子位移(dpa)尤为重要。然而,在流行的计算机代码SRIM中,全级联(F-C)和快速计算(Q-C)选项之间的空位估计存在显着差异。这项研究检查了SRIM准则和一个相对较新的称为Iradina的准则,该准则使用类似的方法,以了解SRIM和Iradina的F-C备选方案中空缺估计过高的根源。我们发现,在置换生产计算中,阈值的默认值(即SRIM的最终能量和Iradina的替代能量)导致计算的空位数量过大,而替代量很少。在使用SRIM、Iradina和MARLOWE(均基于二元碰撞近似)进行多次计算后,结果的比较表明,SRIM和Iradina F-C方法在处理近阈值碰撞方面存在缺陷。这个问题是造成SRIM和Iradina F-C结果中替换人员不足和计算空缺过多的原因。根据碰撞物理原理,我们提出了修改源代码以解决这些问题的建议。
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引用次数: 0
Recent advances in the interplay between stress granules and m6A RNA modification 应激颗粒与m6A RNA修饰相互作用的研究进展
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-12-01 Epub Date: 2023-10-20 DOI: 10.1016/j.cossms.2023.101119
Lijuan Sun , Zhaoyan Zuo , Xiaokui Qiu , Guixue Wang , Qianqian Li , Juhui Qiu , Qin Peng

Stress granules (SGs) are non-membranous organelles driven by the liquid–liquid phase separation (LLPS) of RNA and RNA-binding proteins under various stress conditions. LLPS is mediated by multivalent interactions and affected by RNA modifications and their binders. Most neurodegenerative disease (ND)-related proteins, including TDP-43, FUS, Tau, and TIA1, are components of SGs, indicating the involvement of SGs in ND initiation or progression. Recent studies have reported the enrichment of N6-methyladenosine (m6A)-modified RNA and its corresponding reader proteins in SGs and the abnormal deposition of m6A-modified RNA in ND. Therefore, there is urgent to determine the crosstalk and underlying mechanisms between m6A modification and SGs. The main questions that must be answered are as follows: (1) Which reader participates in m6A enrichment in SGs? (2) What is the role of m6A modification in SG formation? How does it promote LLPS? (3) What is the role of SGs in regulating the fate of m6A-modified RNA? (4) Does the interplay between SGs and m6A modification contribute to chronic diseases such as ND? Therefore, based on these questions, we summarized recently published literature and tried to provide a comprehensive view of the interplay between SGs and m6A modification and their contribution to ND.

应激颗粒(Stress granules, SGs)是一种在各种应激条件下由RNA和RNA结合蛋白的液-液相分离(LLPS)驱动的非膜细胞器。LLPS由多价相互作用介导,并受RNA修饰及其结合物的影响。大多数神经退行性疾病(ND)相关蛋白,包括TDP-43、FUS、Tau和TIA1,都是SGs的组成部分,表明SGs参与ND的发生或进展。最近的研究报道了n6 -甲基腺苷(m6A)修饰的RNA及其相应的解读蛋白在SGs中富集,m6A修饰的RNA在ND中异常沉积。因此,迫切需要确定m6A改性与SGs之间的串扰及其潜在机制。必须回答的主要问题如下:(1)哪个阅读器参与了SGs中的m6A富集?(2) m6A修饰在SG形成中的作用是什么?它如何促进LLPS?(3) SGs在调控m6a修饰RNA的命运中起什么作用?(4) SGs和m6A修饰之间的相互作用是否与ND等慢性疾病有关?因此,基于这些问题,我们总结了最近发表的文献,并试图对SGs和m6A修饰之间的相互作用及其对ND的贡献提供一个全面的看法。
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引用次数: 0
The next generation of nanoindentation and small-scale mechanical testing 下一代的纳米压痕和小规模的机械测试
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-12-01 Epub Date: 2023-10-07 DOI: 10.1016/j.cossms.2023.101115
Marco Sebastiani
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引用次数: 0
Recent advances in nanomechanical and in situ testing techniques: Towards extreme conditions 纳米机械和原位测试技术的最新进展:走向极端条件
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-12-01 Epub Date: 2023-09-30 DOI: 10.1016/j.cossms.2023.101108
Daniel Kiener , Michael Wurmshuber , Markus Alfreider , Gerald J.K. Schaffar , Verena Maier-Kiener

Nanoindentation based techniques were significantly enhanced by continuous stiffness monitoring capabilities. In essence, this allowed to expand from point-wise discrete measurement of hardness and elastic modulus towards advanced plastic characterization routines, spanning the whole rate-dependent spectrum from steady state creep properties via quasi static flow curves to impact or brittle fracture. While representing a significant step forwards already, these techniques can tremendously benefit from additional or complementary input provided by in situ or operando experiments. In fact, by combining and merging these approaches, impressive advances were made towards well controlled nanomechanical investigations at various non-ambient conditions. Here we will discuss some novel experimental avenues facilitated by deliberate extreme environments, and also indicate how future improvements and enhancements will potentially provide previously unseen insights into fundamental material behavior at extreme conditions.

基于纳米压痕的技术通过连续刚度监测能力得到了显著增强。本质上,这允许从硬度和弹性模量的逐点离散测量扩展到先进的塑性表征程序,跨越从稳态蠕变特性到准静态流动曲线再到冲击或脆性断裂的整个速率相关谱。虽然这些技术已经向前迈出了重要的一步,但它们可以从原位或操作实验提供的额外或补充输入中受益匪浅。事实上,通过结合和合并这些方法,在各种非环境条件下,在良好控制的纳米机械研究方面取得了令人印象深刻的进展。在这里,我们将讨论一些由故意的极端环境促进的新的实验途径,并指出未来的改进和增强将如何潜在地为极端条件下的基本材料行为提供以前看不到的见解。
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引用次数: 1
On the role of functionalization in graphene-moisture interaction 功能化在石墨烯-水分相互作用中的作用
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-12-01 Epub Date: 2023-11-16 DOI: 10.1016/j.cossms.2023.101122
Zhijian Cao , Xinyue Wen , Vanesa Quintano , Rakesh Joshi

Graphene-based materials such as graphene oxide (GO) have demonstrated extraordinary sensitivity towards water molecules due to the hydrophilic nature. The hydrophilicity of GO can be further improved via additional functionalization. Previous studies suggest that the interaction between GO and water molecules results in the formation of a hydrogen bond network and modifies the interlayer structure of GO laminates. Based on the recent developments, we present our opinion on the interaction between moisture and graphene oxide and how this interaction can be utilized for environmental applications such as moisture detection and atmospheric water harvesting.

石墨烯基材料,如氧化石墨烯(GO),由于其亲水性,对水分子表现出非凡的敏感性。氧化石墨烯的亲水性可以通过额外的功能化进一步提高。先前的研究表明,氧化石墨烯与水分子的相互作用导致氢键网络的形成,并改变了氧化石墨烯层压板的层间结构。基于最近的发展,我们提出了我们对水分和氧化石墨烯之间相互作用的看法,以及如何将这种相互作用用于环境应用,如水分检测和大气集水。
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引用次数: 0
Printed nanomaterial sensor platforms for COVID-19 and future pandemics 2019冠状病毒病和未来大流行的打印纳米材料传感器平台
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-12-01 Epub Date: 2023-11-17 DOI: 10.1016/j.cossms.2023.101121
Beata M. Szydłowska , Zizhen Cai , Mark C. Hersam

As a rapid, inexpensive prototyping and production methodology, additive manufacturing was widely employed for viral diagnosis platforms during the COVID-19 pandemic. Multiple printing methods were utilized including screen printing, aerosol jet printing, 3D printing, and wax printing to develop nanomaterial sensors designed to detect SARS-CoV-2. In this Review, the advantages, and challenges of each of these printing methods are delineated in addition to optimal nanomaterial ink formulations and printing parameters. Furthermore, surface modification schemes are discussed due to their importance in enhancing chemical functionality, electrical and electrochemical performance, and ultimately the sensitivity and selectivity of the final sensing platform. Along with surveying the latest published results, this Review summarizes remaining open questions that will help guide research aimed at ensuring a more effective response to future pandemics.

作为一种快速、廉价的原型制作和生产方法,增材制造在COVID-19大流行期间被广泛应用于病毒诊断平台。利用丝网印刷、气溶胶喷射打印、3D打印、蜡打印等多种打印方法,开发了检测SARS-CoV-2的纳米材料传感器。在这篇综述中,除了最佳的纳米材料油墨配方和印刷参数外,还描述了每种印刷方法的优点和挑战。此外,由于表面改性方案在提高化学功能,电学和电化学性能以及最终传感平台的灵敏度和选择性方面的重要性,因此讨论了表面改性方案。除了调查最新发表的结果外,本《评论》还总结了仍未解决的问题,这些问题将有助于指导旨在确保更有效地应对未来流行病的研究。
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引用次数: 0
Tailoring the microstructure and mechanical properties of (CrMnFeCoNi)100-xCx high-entropy alloys: Machine learning, experimental validation, and mathematical modeling 定制(CrMnFeCoNi)100-xCx高熵合金的微观结构和力学性能:机器学习,实验验证和数学建模
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-10-01 Epub Date: 2023-09-16 DOI: 10.1016/j.cossms.2023.101105
Mohammad Reza Zamani , Milad Roostaei , Hamed Mirzadeh , Mehdi Malekan , Min Song

As a common thermomechanical treatment route, “cold rolling and annealing” is widely used for the processing and grain refinement of interstitial-containing high-entropy alloys (HEAs). The interrelationship between the parameters of this process, the content of interstitial elements, and their interactions are outstanding challenges and areas of open discussion. Accordingly, the data-driven machine learning approach is a favorable choice for tuning the microstructure and mechanical properties, which needs to be systematically investigated. In the present work, these subjects were addressed in terms of correlating the thermomechanical processing parameters and chemical composition with the recrystallization and grain growth behaviors, grain size, carbide precipitation, and the resulting tensile yield stress for the model (CrMnFeCoNi)100-xCx HEAs. For this purpose, machine learning models based on adaptive neuro-fuzzy inference system (ANFIS), backpropagation artificial neural network (BP-ANN), and support network machine (SVM), as well as mathematical relationships and equations for the contribution of each strengthening mechanism were proposed and verified by extensive experimental work, which shed light on the design and prediction of the microstructure and properties of HEAs.

冷轧退火是一种常用的热处理方法,被广泛应用于含间质高熵合金的加工和晶粒细化。这一过程的参数、间隙元素的内容及其相互作用之间的相互关系是突出的挑战和公开讨论的领域。因此,数据驱动的机器学习方法是调整微观结构和力学性能的有利选择,需要系统地研究。在本工作中,研究了(crmnnfeconi)100-xCx HEAs模型的热处理参数和化学成分与再结晶和晶粒生长行为、晶粒尺寸、碳化物析出以及由此产生的拉伸屈服应力之间的关系。为此,提出了基于自适应神经模糊推理系统(ANFIS)、反向传播人工神经网络(BP-ANN)和支持网络机(SVM)的机器学习模型,以及每种强化机制贡献的数学关系和方程,并通过大量的实验工作进行了验证,为HEAs的微观结构和性能的设计和预测提供了思路。
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引用次数: 0
High-speed nanoindentation mapping: A review of recent advances and applications 高速纳米压痕制图:最新进展和应用综述
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-10-01 Epub Date: 2023-10-03 DOI: 10.1016/j.cossms.2023.101107
Edoardo Rossi , Jeffrey M. Wheeler , Marco Sebastiani

High-Speed Nanoindentation Mapping (HSNM) has been recently developed and established as a novel enabling technology for fast and reliable assessment of small-scale mechanical properties of heterogeneous materials over large areas. HSNM allows for one complete indentation cycle per second, including approach, contact detection, load, unload, and movement to the nth indent location, thus enabling high-resolution, spatially resolved hardness (H) and elastic modulus (E) mapping.

This article reviews the recent advancements in HSNM and its application to support the design, synthesis, and characterization of advanced materials, potentially impacting the ongoing digital and green transitions. A comprehensive review is given of (a) the main experimental features and critical issues of the protocols in comparison with traditional quasi-static nanoindentation, (b) the advanced data analysis tools employed, and (c) the combination with other microscopy and spectroscopy methods for multi-technique correlative applications. Finally, the relevance of HSNM for selected classes of materials is discussed, including (i) additively manufactured metals, (ii) advanced alloys, (iii) composite materials and cement, highlighting the potential for matrix-reinforcement mechanical characterization and optimization routes, (iv) coatings for industrial components and energy/transportation, discussing damage progression identification at the micro-structural level, and (v) natural materials. Ultimately, future perspectives are presented and discussed.

高速纳米压痕映射(HSNM)是近年来发展起来的一种新型技术,可用于快速、可靠地评估非均质材料在大面积上的小尺度力学性能。HSNM允许每秒完成一个压痕周期,包括接近,接触检测,加载,卸载和移动到第n个压痕位置,从而实现高分辨率,空间分辨硬度(H)和弹性模量(E)映射。本文回顾了HSNM的最新进展及其在支持先进材料的设计、合成和表征方面的应用,这些应用可能会影响正在进行的数字化和绿色转型。全面回顾了(A)与传统准静态纳米压痕相比,该方案的主要实验特征和关键问题,(b)所采用的先进数据分析工具,以及(c)与其他显微镜和光谱学方法在多技术相关应用中的结合。最后,讨论了HSNM与选定材料类别的相关性,包括(i)增材制造金属,(ii)高级合金,(iii)复合材料和水泥,突出了基体增强机械表征和优化路线的潜力,(iv)工业部件和能源/运输涂层,讨论微观结构层面的损伤进展识别,以及(v)天然材料。最后,提出并讨论了未来的观点。
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引用次数: 1
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Current Opinion in Solid State & Materials Science
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