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Mapping information and light: Trends of AI-enabled metaphotonics 映射信息与光:人工智能元光子学的发展趋势
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-02-21 DOI: 10.1016/j.cossms.2024.101144
Seokho Lee , Cherry Park , Junsuk Rho

A dynamic convergence between metaphotonics and artificial intelligence (AI) is underway. In this review, AI is conceptualized as a tool for mapping input and output data. From this perspective, an analysis is conducted on how input and output data are set, aiming to discern the following three key trends in the utilization of AI within the field of metaphotonics. 1. The advancement of forward modeling and inverse design, utilizing AI for mapping metaphotonic device design and the corresponding optical properties. 2. Optical neural networks (ONNs), an emerging field that implements AI using metaphotonics by processing information within electromagnetic waves. 3. The field of metasensors, employing metamaterials to encode optical information for measurement and processing using AI to demonstrate high performance sensing. We round up the review with our perspectives on AI and metaphotonics research and discuss the future trends, challenges, and developments.

形而上学与人工智能(AI)之间的动态融合正在进行之中。在本综述中,人工智能被概念化为一种映射输入和输出数据的工具。从这个角度出发,我们对输入和输出数据的设置方式进行了分析,旨在发现人工智能在形而上学领域应用的以下三个主要趋势。1.正向建模和反向设计的进步,利用人工智能绘制元光子器件设计和相应的光学特性。2.光神经网络(ONNs),这是一个新兴领域,通过处理电磁波中的信息,利用元光子学实现人工智能。3.超传感器领域,利用超材料对光学信息进行编码,以便利用人工智能进行测量和处理,从而实现高性能传感。最后,我们将对人工智能和元光子学研究进行总结,并讨论未来的趋势、挑战和发展。
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引用次数: 0
Intrinsically stretchable sensory-neuromorphic system for sign language translation 用于手语翻译的本征可拉伸感知超构系统
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-02-13 DOI: 10.1016/j.cossms.2024.101142
Jiyong Yoon , Jaehyon Kim , Hyunjin Jung , Jeong-Ick Cho , Jin-Hong Park , Mikyung Shin , In Soo Kim , Joohoon Kang , Donghee Son

Soft wearable strain sensors with mechanically invisible interactions with skin tissue have enabled precise diagnosis and effective treatment of neurological movement disorders in a closed-loop manner that quantitatively measures motion-related strains without noise intervention and provides feedback information. Because of the immediate interpretation from motion-driven sign language to general conversation, such on-skin strain sensors have recently been considered promising candidates for facilitating communication either within deaf and hard-of-hearing communities or among people with disabilities. Despite advances in soft strain sensors, the lack of intrinsically stretchable neuromorphic modules that mimic biological synapses and efficiently perform neural computation and dynamics has resulted in inaccurate translation of sign language. In this study, we present an intrinsically stretchable organic electrochemical transistor (is-OECT) synapse integrated with crack-based strain sensors conformally mounted onto fingers to implement an interactive sensory-neuromorphic system (iSNS) capable of overcoming auditory impediments. The is-OECT synapse in the iSNS shows stable electrical performance (a large number of states (∼100 states) and a linear weight update) in the skin deformation range (approximately 30%). Based on pre-trained data gathered from on-finger strain-sensing information, the iSNS wirelessly translates sign language while maintaining high accuracy.

柔软的可穿戴应变传感器与皮肤组织之间具有机械上不可见的相互作用,能够以闭环方式对神经运动障碍进行精确诊断和有效治疗,这种闭环方式能够在没有噪音干扰的情况下定量测量与运动相关的应变,并提供反馈信息。由于这种皮肤上的应变传感器可以立即从运动驱动的手语转换为普通对话,因此最近被认为是促进聋人和重听人社区或残疾人之间交流的有前途的候选产品。尽管软应变传感器取得了进步,但由于缺乏模仿生物突触并有效执行神经计算和动态的内在可伸展神经形态模块,导致手语翻译不准确。在这项研究中,我们展示了一种集成了裂纹应变传感器的本征可伸缩有机电化学晶体管(is-OECT)突触,它被保形地安装在手指上,以实现能够克服听觉障碍的交互式感知神经形态系统(iSNS)。iSNS 中的 is-OECT 突触在皮肤变形范围内(约 30%)显示出稳定的电气性能(大量状态(∼100 个状态)和线性权重更新)。基于从手指应变传感信息中收集的预训练数据,iSNS 可以无线翻译手语,同时保持较高的准确性。
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引用次数: 0
Footwear for piezoelectric energy harvesting: A comprehensive review on prototypes development, applications and future prospects 用于压电能量收集的鞋类:关于原型开发、应用和未来前景的全面综述
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-01-08 DOI: 10.1016/j.cossms.2023.101134
Gurpreet Singh , Moolchand Sharma , Raj Kiran , Saptarshi Karmakar , Rahul Vaish

The extreme consumption of non-renewable energy sources poses serious concerns of environment pollution and energy crisis across the globe, which stimulate the research on exploration of alternative energy technologies capable of harvesting available energy in the ambient environment. Mechanical energy is ubiquitously available in the ambient environment, which can be converted into electrical energy using piezoelectric energy harvesters (PEH) based on piezoelectric effect. PEH have evolved as a non-conventional, feasible and clean solution to meet energy requirement worldwide and played an important role in powering of several portable electronic devices, wireless sensor nodes, and medical implants. PEH enables self-powered functioning of devices along with a longer lifespan. The merits of this technology lies in its easy implementation, miniaturization, and high energy conversion efficiency. The utilization of waste mechanical energy available from the human body (e.g., natural movements of humans) in piezoelectric energy harvesters is one of the prime interests of researchers. The footwear equipped with piezoelectric material is one such novel innovation in the area of piezoelectric energy harvesting which utilizes the vibration generated during human body movements, thereby converting direct mechanical impacts into useful energy. This review article starts with providing the basic fundamental information on piezoelectric effect, piezoelectric materials and piezoelectric energy harvesting technology. The prime objective of this article is to provide the comprehensive review of recent developments made in designing footwear prototypes for piezoelectric energy harvesting and their emerging applications. Interestingly, this review also discusses the important patented technologies based on piezoelectric footwear energy harvesting. At last, this review discusses the merits and limitations of available footwear prototypes for piezoelectric energy-harvesting and provides the new directions for researchers in this innovative area of energy harvesting.

不可再生能源的极度消耗引发了全球对环境污染和能源危机的严重关切,从而激发了对能够收集周围环境中可用能量的替代能源技术的研究探索。机械能在周围环境中随处可见,利用基于压电效应的压电能量收集器(PEH)可将机械能转化为电能。压电能量收集器已发展成为满足全球能源需求的一种非常规、可行和清洁的解决方案,在为一些便携式电子设备、无线传感器节点和医疗植入物供电方面发挥了重要作用。PEH 可使设备自供电并延长使用寿命。该技术的优点在于易于实施、微型化和高能量转换效率。在压电能量收集器中利用人体的废机械能(如人类的自然运动)是研究人员的主要兴趣之一。装有压电材料的鞋类就是压电能量收集领域的一项创新,它利用人体运动时产生的振动,从而将直接的机械冲击转化为有用的能量。这篇综述文章首先提供了有关压电效应、压电材料和压电能量采集技术的基本信息。本文的主要目的是全面回顾压电能量收集鞋类原型设计及其新兴应用的最新发展。有趣的是,本综述还讨论了基于压电鞋类能量采集的重要专利技术。最后,本综述讨论了现有压电能量收集鞋类原型的优点和局限性,并为研究人员在这一创新的能量收集领域提供了新的方向。
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引用次数: 0
Recent progress in analysis of strain-induced phenomena in irradiated metallic materials and advanced alloys using SEM-EBSD in-situ tensile testing 利用 SEM-EBSD 原位拉伸试验分析辐照金属材料和先进合金应变诱导现象的最新进展
IF 11 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-12-22 DOI: 10.1016/j.cossms.2023.101132
M.N. Gussev , D.A. McClintock , T.S. Byun , T.G. Lach

In-situ mechanical testing in a scanning electron microscope (SEM) equipped with an electron backscatter diffraction (EBSD) system has quickly gained popularity, particularly because of its rich experimental outcomes. In this work, the advantages and challenges of this approach are systemized and critically discussed in relation to testing irradiated metallic materials and novel materials in development. Key observations and experimental results are evaluated for irradiated austenitic stainless steels, an additively manufactured (AM) 316 stainless steel, and a modern accident-tolerant FeCrAl alloy. Various deformation mechanisms are discussed using experimental EBSD datasets, including dislocation channeling in irradiated alloys, strain localization, lattice rotation, texture development, twinning, phase instability, and microfracture events. Several rare strain-induced phenomena are described, such as grain boundary dissolution in FeCrAl alloy and twinning boundary migration in AM 316 stainless steel. These results demonstrate the advantages and capability of EBSD-assisted experiments to inform assessment and understanding of the complexity of deformation processes at different microstructure scales. Some challenges and impediments associated with this approach are also discussed, along with recommendations for future research advancements.

配备电子反向散射衍射(EBSD)系统的扫描电子显微镜(SEM)原位机械测试因其丰富的实验成果而迅速普及。在这项工作中,针对辐照金属材料和正在开发的新型材料的测试,对这种方法的优势和挑战进行了系统化和批判性的讨论。对辐照奥氏体不锈钢、添加剂制造(AM)316 不锈钢和现代事故耐受铁铬铝合金的主要观察结果和实验结果进行了评估。利用 EBSD 实验数据集讨论了各种变形机制,包括辐照合金中的位错通道、应变定位、晶格旋转、纹理发展、孪晶、相不稳定性和微裂纹事件。还描述了几种罕见的应变诱导现象,如 FeCrAl 合金中的晶界溶解和 AM 316 不锈钢中的孪晶边界迁移。这些结果表明了 EBSD 辅助实验在评估和理解不同微结构尺度变形过程复杂性方面的优势和能力。此外,还讨论了与这种方法相关的一些挑战和障碍,以及对未来研究进展的建议。
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引用次数: 0
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 : 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 : 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
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 : 2023-11-17 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。
{"title":"Printed nanomaterial sensor platforms for COVID-19 and future pandemics","authors":"Beata M. Szydłowska ,&nbsp;Zizhen Cai ,&nbsp;Mark C. Hersam","doi":"10.1016/j.cossms.2023.101121","DOIUrl":"https://doi.org/10.1016/j.cossms.2023.101121","url":null,"abstract":"<div><p><span>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 </span>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.</p></div>","PeriodicalId":295,"journal":{"name":"Current Opinion in Solid State & Materials Science","volume":"27 6","pages":"Article 101121"},"PeriodicalIF":11.0,"publicationDate":"2023-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136696228","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
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 : 2023-11-16 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
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 : 2023-10-20 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。
{"title":"Recent advances in the interplay between stress granules and m6A RNA modification","authors":"Lijuan Sun ,&nbsp;Zhaoyan Zuo ,&nbsp;Xiaokui Qiu ,&nbsp;Guixue Wang ,&nbsp;Qianqian Li ,&nbsp;Juhui Qiu ,&nbsp;Qin Peng","doi":"10.1016/j.cossms.2023.101119","DOIUrl":"https://doi.org/10.1016/j.cossms.2023.101119","url":null,"abstract":"<div><p>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 N<sup>6</sup>-methyladenosine (m<sup>6</sup>A)-modified RNA and its corresponding reader proteins in SGs and the abnormal deposition of m<sup>6</sup>A-modified RNA in ND. Therefore, there is urgent to determine the crosstalk and underlying mechanisms between m<sup>6</sup>A modification and SGs. The main questions that must be answered are as follows: (1) Which reader participates in m<sup>6</sup>A enrichment in SGs? (2) What is the role of m<sup>6</sup>A modification in SG formation? How does it promote LLPS? (3) What is the role of SGs in regulating the fate of m<sup>6</sup>A-modified RNA? (4) Does the interplay between SGs and m<sup>6</sup>A 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 m<sup>6</sup>A modification and their contribution to ND.</p></div>","PeriodicalId":295,"journal":{"name":"Current Opinion in Solid State & Materials Science","volume":"27 6","pages":"Article 101119"},"PeriodicalIF":11.0,"publicationDate":"2023-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91985335","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
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 : 2023-10-18 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。
{"title":"Predicting displacement damage for ion irradiation: Origin of the overestimation of vacancy production in SRIM full-cascade calculations","authors":"Yan-Ru Lin ,&nbsp;Steven J. Zinkle ,&nbsp;Christophe J. Ortiz ,&nbsp;Jean-Paul Crocombette ,&nbsp;Roger Webb ,&nbsp;Roger E. Stoller","doi":"10.1016/j.cossms.2023.101120","DOIUrl":"https://doi.org/10.1016/j.cossms.2023.101120","url":null,"abstract":"<div><p>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.</p></div>","PeriodicalId":295,"journal":{"name":"Current Opinion in Solid State & Materials Science","volume":"27 6","pages":"Article 101120"},"PeriodicalIF":11.0,"publicationDate":"2023-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91985334","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
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Current Opinion in Solid State & Materials Science
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