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Ronchigram Simulation and Aberration Correction Training using ***

Microscopy and microanalysis : the official journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada 2023年第1期29卷 1911-1912页

作者： Millsaps, William Sung, Suk Hyun Schnitzer, Noah Kourkoutis, Lena F. Hovden, Robert Engineering Physics Program University of Michigan Ann Arbor MI United States Department of Materials Science and Engineering University of Michigan Ann Arbor MI United States Department of Materials Science and Engineering Cornell University Ithaca NY United States School of Applied and Engineering Physics Cornell University Ithaca NY United States Kavli Institute at Cornell for Nanoscale Science Cornell University Ithaca NY United States

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Effect of Heat Treatments on Microstructure and Mechanical Properties of Fe-Mn-Ni-Al-Gd Shape Memory Alloy

Effect of Heat Treatments on Microstructure and Mechanical P...

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2023 Sharjah International Conference on Physics of Advanced materials, SICPAM 2023

作者： Mustafa, Faisal Egilmez, Mehmet Abuzaid, Wael El-Khatib, Sami Department of Physics American University of Sharjah Sharjah26666 United Arab Emirates Materials Science and Engineering Program American University of Sharjah Sharjah26666 United Arab Emirates Department of Mechanical Engineering American University of Sharjah Sharjah26666 United Arab Emirates

There are significant scientific and industrial efforts to develop and optimize Iron-based shape memory alloys (SMA) such as FeMnNiAl for cost-sensitive applications. This alloy system shows shape memory and superelastic properties across a large temperature range. However, many studies have pointed out the need for rather complex thermo-mechanical treatments for the optimization of the SMA properties. In addition, works considering the effects of alloying on the development of microstructures that are more conducive to pseudo-elasticity in this system remain limited. Hence, systematic studies aiming at the investigation of the microstructural evolution of the FeMnNiAl(Gd) system are of great interest. In this study, solution heat treatment is done to tune the microstructure for optimum mechanical properties. The effect of phase distribution on mechanical properties is investigated at different heat treatments. Whereas cyclic heat treatment induced abnormal grain growth (AGG) in all samples, so large grains were obtained. The phase variation and elemental composition are analyzed by X-ray diffraction and Energy Dispersive Spectroscopy, respectively. The microstructure and phase distribution are observed using Scanning Electron Microscope and then related to the microhardness results. The microstructure has a good correlation with mechanical properties where the fine distribution of phases results in a higher hardness number. © Published under licence by IOP Publishing Ltd.

关键词： Microstructure

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Method for assessing atomic sources of flicker noise in superconducting qubits

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npj Computational materials 2021年第1期7卷 1502-1507页

作者： Almog Reshef Maytal Caspary Toroker Department of Materials Science and Engineering Technion–Israel Institute of TechnologyHaifaIsrael The Nancy and Stephen Grand Technion Energy Program HaifaIsrael

Flicker noise causes decoherence in Josephson junction-based superconducting qubits,thus limiting their practical potential as building blocks for quantum *** is due to limited length and complexity of executable algorithms,and increased dependency on error-correcting ***,identifying and subsiding the atomic sources of flicker noise are of great importance to the development of this *** developed a method that combines ab initio DFT calculations and quantum dynamics to model charge transport across a Josephson junction,by which it is possible to more accurately assess different defects as sources of flicker *** demonstrate the use of our method in an investigation of various atomic defects,including vacancies,trapping,and substitutions,in an Al|Al_(2)O_(3)|Al Josephson *** demonstration both reveals weaknesses in previous attempts to pinpoint the atomic sources of flicker noise and highlights new candidates.

关键词： Josephson quantum limiting

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Effect of Gd, V, and y Alloying on the Corrosion Properties of Fe-Mn-Ni-Al Fe-based Shape Memory Alloy

Effect of Gd, V, and y Alloying on the Corrosion Properties ...

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2023 Sharjah International Conference on Physics of Advanced materials, SICPAM 2023

作者： Mustafa, Faisal Ahmad, Shahbaz Hassan, Arhum Egilmez, Mehmet El-Khatib, Sami Ibrahim, Taleb Department of Physics American University of Sharjah Sharjah26666 United Arab Emirates Materials Science and Engineering Program American University of Sharjah Sharjah26666 United Arab Emirates Department of Chemical Engineering American University of Sharjah Sharjah26666 United Arab Emirates

Shape Memory Alloys (SMA) are widely utilized in numerous industrial applications nowadays. Significant attention has been given to Fe-based SMA in civil engineering applications due to their high strength and reasonable cost. Researchers are striving to improve the corrosion resistance of these alloys so they can be utilized in marine environments. This article focuses on the effect of Gd, V, and Y alloying on FeMnNiAl based SMA. The phases and morphological effects were characterized using X-Ray diffractometer (XRD), Scanning Electron Microscopy (SEM), and Energy Dispersive Spectroscopy (EDS). To examine the corrosive nature of the Fe-based SMA system, a potentiodynamic analysis and electrochemical impedance spectroscopy (EIS) tests were performed in 3.5% NaCl solution. Results show that the addition of Gd rare earth metal has improved the overall corrosion efficiency of Fe-based SMAs by 48%. © Published under licence by IOP Publishing Ltd.

关键词： Scanning electron microscopy

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An Anti-Plasma Etching Film of Y2O3 Film 10

An Anti-Plasma Etching Film of Y2O3 Film

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10th International Conference on Applied System Innovation, ICASI 2024

作者： Wei, Chia-Chih Chen, Hsuan-Jung Lee, Yi-Mu Chang, Shao-Fu Chen, Chien-Chon College of Engineering and Science Ph.D. Program in Materials and Chemical Engineering National United University Miaoli Taiwan Michigan State University Department of Chemistry MI48824 United States National United University Department of Electronic Miaoli Taiwan National United University Department of Energy Engineering Miaoli Taiwan

ISBN: (纸本)9798350394924

In this paper, we have presented our experiment results including (a) use a slowly thermal spray process deposition an yttrium oxide (Y2O3) film with thickness of $200\ \mu\mathrm{m}$ on the aluminum alloy (AA6061). The image analysis showed that the porosity of Y2O3 film can be reduced to less than 2%. The further aerosol deposition can be used filling the pores and can reduce the porosity of the film to less than 0.5%. This low-porosity Y2O3 film will be able to meet the increasingly stringent requirements for surface coating protection of semiconductor vacuum chamber. (b) Compared the corrosion characterization in 3.5 wt. % NaCl solution between naked AA6061 and AA6061 with Y2O3 coating, a high corrosion reactivity ($\mathrm{I}_{\text{corr}}=10^{-3.3}\mathrm{A}/\text{cm}^{2}$) of naked AA6061 then AA6061 with Y2O3 coating ($\mathrm{I}_{\text{corr}}=10^{-5.8}\mathrm{A}/\text{cm}^{2}$). The corrosion reactivity of AA6061 with Y2O3 is reduced by 316 times to a naked AA6061. © 2024 IEEE.

关键词： Porosity

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An ultraefficient surface functionalized Ti3C2Tx MXene piezocatalyst: synchronous hydrogen evolution and wastewater treatment

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Journal of materials Chemistry A 2023年第6期12卷 3340-3351页

作者： Lai, Sz-Nian Chen, Winston Yenyu Yen, Chao-Chun Liao, Yin-Song Chen, Po-Han Stanciu, Lia Wu, Jyh Ming Department of Materials Science and Engineering National Tsing Hua University 101 Section 2 Kuang Fu Road Hsinchu300 Taiwan PhD Program in Prospective Functional Materials Industry National Tsing Hua University 101 Section 2 Kuang Fu Road Hsinchu300 Taiwan High Entropy Materials Center National Tsing Hua University 101 Section 2 Kuang Fu Road Hsinchu300 Taiwan Tsing Hua Interdisciplinary Program National Tsing Hua University 101 Section 2 Kuang Fu Road Hsinchu300 Taiwan School of Materials Engineering Purdue University 610 Purdue Mall West LafayetteIN47907 United States Department of Materials Science and Engineering National Chung Hsing University 145 Xingda Road Taichung402 Taiwan

The Ti3C2Tx surface contains hydroxyl groups that can be modified through self-assembled monolayers by using (3-chloropropyl) trimethoxysilane (CPTMS) and fluoroalkylsilane (FOTS). This study demonstrates that an ultrahigh level of piezoelectricity can be achieved by modifying the Si-O bond of organo-silane headgroups in Ti3C2Tx. The theoretical calculation of surface functionalized Ti3C2Tx-FOTS reveals that its Si-O bond causes localized lattice distortion and enhances the noncentrosymmetric structure on the Ti3C2Tx surface. Ti3C2Tx-FOTS exhibits significantly higher butterfly loops than pristine Ti3C2Tx. The calculated rate constant of Ti3C2Tx-FOTS for dye degradation was 0.9 min−1, 15-fold higher than that of Ti3C2Tx-CPTMS and 111-fold higher than that of pristine Ti3C2Tx. The hydrogen evolution rate of Ti3C2Tx-FOTS is 900.46 μmo1 g−1 h−1, three times higher than that of Ti3C2Tx. The bifunctional surface functionalized Ti3C2Tx-FOTS can simultaneously catalyse the hydrogen evolution reaction (HER) and decomposition of wastewater, demonstrating that Ti3C2Tx-FOTS, obtained through the surface engineering of Ti3C2Tx, is a superior piezocatalyst. © 2024 The Royal Society of Chemistry.

关键词： Rate constants

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Improvement of corrosion resistance and heat dissipation of Mg-6%Al-4%Ca alloy by the addition of Mn, Mm, and the surface treatment

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Keikinzoku/Journal of Japan Institute of Light Metals 2023年第12期73卷 646-650页

作者： Ito, Mizuki Kondo, Natsuki Kirimoto, Yuichi Tsukeda, Tadayoshi Aida, Tetsuo Tabata, Hironobu Kurihara, Hideki Suzuki, Mayumi Program of Materials Science and Engineering Studies in Science and Engineering Graduate School of Science and Engineering University of Toyama 3190 Gofuku Toyama-shi Toyama930-8555 Japan School of Sustainable Design Materials and Engineering University of Toyama Toyama Toyama-shi Japan Department of Nano and Functional Material Science Graduate School of Science and Engineering for Education University of Toyama Toyama Toyama-shi Japan Faculty of Sustainable Design Academic Assembly University of Toyama Toyama Toyama-shi Japan CHUETSU METAL WORKS CO LTD.. Nakaniikawa-gun Toyama Japan Saitama Industrial Technology Center Kawaguchi-shi Saitama Japan Department of Mechanical Systems Engineering Faculty of Engineering Toyama Prefectural University Toyama Imizu-shi Japan

With the recent digitization, electronic equipment housings are required to be thin-walled and have rigidity, heat dissipation, corrosion resistance, and electromagnetic shielding properties. Magnesium alloys are promising materials that satisfy these requirements. Mg-Al alloys have good castability and high strength, but their thermal conductivity decreases. In general, adding alloying elements to magnesium decreases thermal conductivity the effect of aluminum addition is significant. It was found that adding calcium to Mg-Al alloys to form Mg-Al-Ca (AX) alloys results in higher thermal conductivity than that of Mg-Al alloys. However, AX alloys have poor corrosion resistance and require post-treatment such as surface treatment. In this study, AX64, which has high thermal conductivity among the AX series alloys, was used as the basic composition, and corrosion resistance was improved by adding manganese and misch metal, and an attempt was made to improve corrosion resistance and emissivity through surface treatment. The change in thermal conductivity by heat treatment was also investigated. Experimental results showed that the addition of manganese and misch metal improved corrosion resistance and thermal conductivity. Plasma anodization also improved corrosion resistance and emissivity. Heat treatment of these alloys at 400°C improved the thermal conductivity with longer holding time. © 2023 The Japan Institute of Light Metals.

关键词： Corrosion resistance

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Electronic structure and optical spectra of MSi2N4 (M = Mo, Ta, V) materials with single-atom decoration: a first-principles study

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Journal of materials Chemistry C 2023年第43期11卷 15097-15105页

作者： Wu, Tzu-Cheng Liao, Yin-Song Kao, Jui-Cheng Chou, Jyh-Pin Department of Physics National Tsing Hua University Hsinchu300044 Taiwan The Affiliated Senior High School of National Taiwan Normal University Taipei10658 Taiwan Tsing Hua Interdisciplinary Program National Tsing Hua University Hsinchu300044 Taiwan Department of Materials Science and Engineering National Tsing Hua University Hsinchu300044 Taiwan Department of Materials Science and Engineering National Yang Ming Chiao Tung University Hsinchu30010 Taiwan Department of Physics National Changhua University of Education Changhua50007 Taiwan

MoSi2N4 has outstanding potential for applications in electronics, spintronics, and semiconducting fabrication. This attractive scenario can be attributed to its remarkable electronic properties. In this study, we investigate the electronic structure and optical spectra of the MSi2N4 (M = Mo, Ta, and V) materials with single atom (H, N, and O) decoration using first-principles calculations. Pristine MoSi2N4 and VSi2N4 are semiconductors, and TaSi2N4 shows the half-metal properties. Decorating MoSi2N4 with single hydrogen and nitrogen atoms induces a magnetic moment. Single oxygen decorated TaSi2N4 does not change its intrinsic electronic properties, which is suitable for spintronic applications. On top of that, the semiconductor VSi2N4 can be turned into a half-metal via single hydrogen atom decoration. The absorption spectra demonstrate an enhancement in optical absorption for VSi2N4 after the decoration with a single nitrogen atom. Single atom decoration is one of the effective methods of tailoring the electronic properties of the two-dimensional MoSi2N4 family. Our findings can accelerate the development of the advanced electronic devices. © 2023 The Royal Society of Chemistry.

关键词： Silicon compounds

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Advancing electrochemical impedance analysis through innovations in the distribution of relaxation times method

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Joule 2024年第7期8卷 1958-1981页

作者： Maradesa, Adeleke Py, Baptiste Huang, Jake Lu, Yang Iurilli, Pietro Mrozinski, Aleksander Law, Ho Mei Wang, Yuhao Wang, Zilong Li, Jingwei Xu, Shengjun Meyer, Quentin Liu, Jiapeng Brivio, Claudio Gavrilyuk, Alexander Kobayashi, Kiyoshi Bertei, Antonio Williams, Nicholas J. Zhao, Chuan Danzer, Michael Zic, Mark Wu, Phillip Yrjänä, Ville Pereverzyev, Sergei Chen, Yuhui Weber, André Kalinin, Sergei V. Schmidt, Jan Philipp Tsur, Yoed Boukamp, Bernard A. Zhang, Qiang Gaberšček, Miran O'Hayre, Ryan Ciucci, Francesco Department of Mechanical and Aerospace Engineering The Hong Kong University of Science and Technology Hong Kong Metallurgical and Materials Engineering Colorado School of Mines Golden80401 United States Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology Department of Chemical Engineering Tsinghua University Beijing China Green Energy Storage Trento38123 Italy Department of Manufacturing and Production Engineering Faculty of Mechanical Engineering and Ship Technology Institute of Machine and Materials Technology Gdańsk University of Technology Gdańsk Poland Electrode Design for Electrochemical Energy Systems University of Bayreuth Bayreuth Germany School of Chemistry University of New South Wales Sydney Australia School of Advanced Energy Sun Yat-Sen University Shenzhen China Sustainable Energy Center CSEM Neuchâtel2002 Switzerland Interdisciplinary Faculty of Science and Engineering Shimane University Matsue Japan Centre for Electronic and Optical Materials National Institute for Materials Science Tsukuba Japan Department of Civil and Industrial Engineering University of Pisa Pisa Italy Department of Materials Imperial College London Exhibition Road LondonSW7 2AZ United Kingdom Department of Chemical Engineering Massachusetts Institute of Technology Cambridge02139 United States Electrical Energy Systems University of Bayreuth Bayreuth Germany Ruder Boskovic Institute Zagreb Croatia Department of Materials and Minerals Resources Engineering National Taipei University Taipei Taiwan Finland Johann Radon Institute for Computational and Applied Mathematics Linz Austria School of Science and Engineering Nanjing Tech. University Nanjing China Karlsruhe Germany Department of Materials Science and Engineering University of Tennessee KnoxvilleTN37996 United States Physical Science Division Pacific Northwest National Laboratory RichlandWA99354 United States Systems Engineering for Electrical Energy Storage University of B

Electrochemical impedance spectroscopy (EIS) is widely used in electrochemistry, energy sciences, biology, and beyond. Analyzing EIS data is crucial, but it often poses challenges because of the numerous possible equivalent circuit models, the need for accurate analytical models, the difficulties of nonlinear regression, and the necessity of managing large datasets within a unified framework. To overcome these challenges, non-parametric models, such as the distribution of relaxation times (DRT, also known as the distribution function of relaxation times, DFRT), have emerged as promising tools for EIS analysis. For example, the DRT can be used to generate equivalent circuit models, initialize regression parameters, provide a time-domain representation of EIS spectra, and identify electrochemical processes. However, mastering the DRT method poses challenges as it requires mathematical and programming proficiency, which may extend beyond experimentalists’ usual expertise. Post-inversion analysis of DRT data can be difficult, especially in accurately identifying electrochemical processes, leading to results that may not always meet expectations. This article examines non-parametric EIS analysis methods, outlining their strengths and limitations from theoretical, computational, and end-user perspectives, and provides guidelines for their future development. Moreover, insights from survey data emphasize the need to develop a large impedance database, akin to an impedance genome. In turn, software development should target one-click, fully automated DRT analysis for multidimensional EIS spectra interpretation, software validation, and reliability. Particularly, creating a collaborative ecosystem hinged on free software could promote innovation and catalyze the adoption of the DRT method throughout all fields that use impedance data. © 2024 Elsevier Inc.

关键词： Electrochemical impedance spectroscopy

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Grain Boundary Segregation Models for High-Entropy Alloys: Theoretical Formulation and Derived Analytical Expressions to Elucidate High-Entropy Grain Boundaries

arXiv

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arXiv 2024年

作者： Luo, Jian Department of NanoEngineering University of California La Jolla San DiegoCA92093 United States Program in Materials Science and Engineering University of California La Jolla San DiegoCA92093 United States

Grain boundary (GB) segregation models are derived for multi-principal element and high-entropy alloys (MPEAs and HEAs). Differing from classical models where one component is taken as solvent and others are considered solutes, these models are referenced to the bulk composition to enable improved treatments of MPEAs and HEAs with no principal components. An ideal solution model is first formulated and solved to obtain analytical expressions that predict GB segregation and GB energy in MPEAs and HEAs. A regular solution model is further derived. The GB composition calculated using the simple analytical expression derived in this study and data from the materials Project agree well with a prior sphosipcated atomistic simulation for NbMoTaW. The simplicity of the derived analytical expressions makes them useful for not only conveniently predicting GB segregation trends in HEAs, but also analyzing nascent interfacial phenomena in composionally complex GBs. As an application example, the derived models are used to further formulate a set of useful equations to elucidate an emergent concept of high-entropy grain boundaries (HEGBs). © 2024, CC BY.

关键词： Entropy

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