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Endotaxial Stabilization of 2D Charge Density Waves with Long-Range Order

Microscopy and Microanalysis 2024年第SUPPLEMENT_1期30卷

作者： Sung, Suk Hyun Agarwal, Nishkarsh Baggari, Ismail El Kezer, Patrick Goh, Yin Min Schnitzer, Noah Shen, Jeremy M Chiang, Tony Liu, Yu Lu, Wenjian Sun, Yuping Kourkoutis, Lena F Heron, John T Sun, Kai Hovden, Robert Department of Materials Science and Engineering University of Michigan Ann Arbor MI USA Rowland Institute at Harvard University Cambridge MA USA Department of Electrical and Computer Engineering University of Michigan Ann Arbor MI USA John A. Paulson School of Engineering and Applied Science Harvard University Cambridge MA USA Department of Materials Science and Engineering Cornell University Ithaca NY USA Kavli Institute at Cornell for Nanoscale Science Ithaca NY USA Key Laboratory of Materials Physics Institute of Solid State Physics Chinese Academy of Sciences Hefei PR China Collaborative Innovation Centre of Advanced Microstructures Nanjing University Nanjing PR China High Magnetic Field Laboratory Chinese Academy of Sciences Hefei PR China School of Applied and Engineering Physics Cornell University Ithaca NY USA Applied Physics Program University of Michigan Ann Arbor MI USA Department of Physics University of Michigan Ann Arbor MI USA

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Micro-scale simulation of nanoindentation characteristics in dual-phase steel

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materials Today: Proceedings 2020年 33卷 5055-5060页

作者： S.K. Basantia P.K. Prusty D. Das N. Khutia Department of Aerospace Engineering and Applied Mechanics Indian Institute of Engineering Science and Technology Shibpur Howrah 711103 West Bengal India School of Mechanical Engineering Kalinga Institute of Industrial Technology (D. U.) Bhubaneswar 751024 Odisha India Department of Metallurgy and Materials Engineering Indian Institute of Engineering Science and Technology Shibpur Howrah 711103 West Bengal India

In the present study, nanoindentation technique was employed to derive the flow behavior of ferrite and martensite phases in order to accurately predict the overall tensile stress-strain behavior of dual-phase steel by finite element simulation. A dislocation based formulation was used to estimate the flow characteristics of constituting phases while both the sizes of model and mesh were finalized. Subsequently, finite element analysis was performed to determine the indentation load-depth curves of individual phases. The simulated and experimental load-depth profiles were compared and the values of material constant for ferrite as well as martensite phases were identified. Finally, the predicted flow behavior of constituting phases was incorporated in the real microstructure based RVE model to estimate the overall tensile behaviour. Analyses of nanoindentation results revealed that fine-tunning of the material parameter associated with the dislocation based theory considerably improved the predictability of tensile stress-strain behaviour by finite element simulation for the investigated dual-phase steel.

关键词： Dual-phase steel Nanoindentation Finite element simulation Representative volume element

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Electrochemical biosensor based on an atomic layered composite of graphene oxide/graphene as an electrode material towards selective and sensitive detection of miRNA-21

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Microchemical Journal 2024年 199卷

作者： Huang, Min-Shin Govindasamy, Mani Chinnapaiyan, Sathishkumar Lin, Yi-Ting Lu, Shao-Yang Samukawa, Seiji Huang, Chi-Hsien Department of Materials Engineering Ming Chi University of Technology New Taipei City 243303 Taiwan International Ph.D. Program in Innovative Technology of Biomedical Engineering and Medical Devices Ming Chi University of Technology New Taipei City 24303 Taiwan Centre for Applied Research Saveetha School of Engineering Saveetha Institute of Medical and Technical Sciences (SIMATS) Chennai-602105 Tamil Nadu India Institute of Fluid Science Tohoku University Sendai 980-8577 Japan College of Electrical and Computer Engineering National Yang Ming Chiao Tung University Hsinchu 300093 Taiwan Division of Rheumatology Allergy and Immunology Chang Gung Memorial Hospital Taoyuan City 33305 Taiwan College of Engineering Chang Gung University Taoyuan City 33302 Taiwan

Development of an efficient technique towards the detection of miRNAs is highly significant for the timely diagnosis and prognosis of cancers. In this study, we utilized the chemical vapor deposition (CVD) technique to grow bilayer graphene (BLG) on copper foil and subsequently transferred the BLG to fluorine doped tin oxide (FTO) substrate via a facile wet transfer technique. The upper layer of the BLG was modified to graphene oxide (GO) with a low damage plasma treatment (LDPT) process to serve as a biomolecule receiving layer and the lower graphene layer (G) serves as an electron transport layer. The developed GO/G/FTO platform offers superior sensing ability towards the miRNA-21. The results demonstrated that the proposed GO/G/FTO substrate detect the miRNA-21 with a wide linear range (10 fM ∼ 1 nM), low limit of detection (3.18 fM), high sensitivity (0.6 mApM⁻¹cm⁻²), selectivity and stability via the differential pulse voltammetry method. Additionally, the sensors can efficiently discriminate the target miRNA-21 from its complementary base mismatched counterparts. The proposed approach serves as an excellent tool for the early diagnosis of diseases. © 2024 Elsevier B.V.

关键词： Atomic layer oxidation Biosensor Cancer biomarkers Electrochemical Graphene oxide Plasma treatment

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Microscopic picture of paraelectric perovskites from structural prototypes

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Physical Review Research 2022年第1期4卷 L012042-L012042页

作者： Michele Kotiuga Samed Halilov Boris Kozinsky Marco Fornari Nicola Marzari Giovanni Pizzi Theory and Simulation of Materials (THEOS) National Centre for Computational Design and Discovery of Novel Materials (MARVEL) École Polytechnique Fédérale de Lausanne CH-1015 Lausanne Switzerland Designed Material Technologies LLC P.O. Box 14548 Richmond Virginia 23221-9998 USA John A. Paulson School of Engineering and Applied Sciences Harvard University 29 Oxford Street Cambridge Massachusetts 02138 USA Robert Bosch LLC Research and Technology Center Cambridge Massachusetts 02139 USA Department of Physics and Science of Advanced Materials Program Central Michigan University Mt. Pleasant Michigan 48859 USA

We highlight with first-principles molecular dynamics the persistence of intrinsic 〈111〉 Ti off-centerings for BaTiO3 in its cubic paraelectric phase. Intriguingly, these are inconsistent with the Pm3¯m space group often used to atomistically model this phase using density-functional theory or similar methods. Therefore, we deploy a systematic symmetry analysis to construct representative structural models in the form of supercells that satisfy a desired point symmetry but are built from the combination of lower-symmetry primitive cells. We define as structural prototypes the smallest of these that are both energetically and dynamically stable. Remarkably, two 40-atom prototypes can be identified for paraelectric BaTiO3; these are also common to many other ABO3 perovskites. These prototypes can offer structural models of paraelectric phases that can be used for the computational engineering of functional materials. Last, we show that the emergence of B-cation off-centerings and the primitive-cell phonon instabilities is controlled by the equilibrium volume, in turn, dictated by the filler A cation.

关键词： Crystal symmetry Ferroelectricity Structural order parameter Paraelectrics

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The Mesoscale Crystallinity of Nacreous Pearls

Research Square

引用

Research Square 2021年

作者： Gim, Jiseok Koch, Alden Otter, Laura M. Savitzky, Benjamin H. Erland, Sveinung Estroff, Lara A. Jacob, Dorrit E. Hovden, Robert Department of Materials Science & Engineering University of Michigan Ann ArborMI United States Department of Biomedical Engineering University of Michigan Ann ArborMI United States Research School of Earth Sciences Australian National University CanberraACT2600 Australia National Center for Electron Microscopy Molecular Foundry Lawrence Berkeley National Laboratory BerkeleyCA United States Department of Maritime Studies Western Norway University of Applied Sciences Haugesund Norway Department of Materials Science & Engineering Cornell University IthacaNY United States Applied Physics Program University of Michigan Ann ArborMI United States

A pearl’s distinguished beauty and toughness is attributable to the periodic stacking of aragonite tablets known as nacre. Nacre is a naturally occurring mesocrystal that remarkably arises in the absence of translational symmetry. Gleaning the inspiring biomineral design of a pearl requires quantifying its structural coherence and understanding the stochastic processes that govern formation. By characterizing the entire structure of pearls (~3 mm) in cross-section at high resolution, we show nacre is a medium-range mesocrystal formed through nanoparticle assembly processes. Self-correcting growth mechanisms actively remedy disorder and topological defects of the tablets and act as a countervailing force to paracrystallinity (i.e. long-range disorder). Nacre has a correlation length of roughly 16 tablets (~5.5 µm) despite persistent fluctuations and topological defects. For longer distances (> 25 tablets, ~8.5 µm), the frequency spectrum of nacre tablets follows f −1.5 behavior suggesting growth is coupled to external stochastic processes—a universality found across disparate natural phenomena which now includes pearls. © 2021, CC BY.

关键词： Random processes

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Fabrication a sustainable adsorbent nanocellulose-mesoporous hectorite bead for methylene blue adsorption

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Case Studies in Chemical and Environmental engineering 2024年 10卷

作者： Holilah Asranudin El Messaoudi, Noureddine Ulfa, Maria Hamzah, Amir Hamid, Zuratul Ain Abdul Ramadhani, Dini Viandi Suryanegara, Lisman Mahardika, Melbi Melenia, Alvina Tata Pratama, Agus Wedi Prasetyoko, Didik Research Center for Biomass and Bioproducts National Research and Innovation Agency of Indonesia (BRIN) Research Collaboration Center for Nanocellulose BRIN-Andalas University Research Collaboration Center for Biomass and Biorefinery Between BRIN and Universitas Padjadjaran Laboratory of Applied Chemistry and Environment Faculty of Sciences Ibn Zohr University Chemistry Education Study Program Faculty of Teacher Training and Education Sebelas Maret University Deputy for Infrastructure Research and Innovation National Research and Innovation Agency of Indonesia (BRIN) School of Materials & Mineral Resources Engineering Universiti Sains Malaysia Department of Biology Faculty of Science and Data Analytics Institut Teknologi Sepuluh Nopember Department of Chemistry Faculty of Science and Data Analytics Institut Teknologi Sepuluh Nopember (ITS) Kampus ITS Sukolilo

In this study, fabrication of mesoporous nanocellulose-hectorite-alginate bead (B-NcH) composites and their application for adsorption of MB from water was carried out. The synthesis of nanocellulose (NC) was conducted from mangosteen waste peel (Garcinia mangostana L.). Garcinia mangostana L. peel had 58.9 ± 0,41 % content of cellulose. NCs was successfully isolated using the acid hydrolysis method. NC from Garcinia mangostana L. peel had a diameter of 24.5 ± 0.2 nm and a length of 381.2 ± 10.4 nm. The superabsorbent was composed of nanocrystalline cellulose, mesoporous hectorite, and alginate. The functional group, phase, and morphology of composite was investigated. The composite with 5 % NC had excellent mechanical strength. The B-NcH5 showed a high adsorption capacity of methylene blue (MB), reaching 98.64 % at an adsorbent dose of 30 mg for 90 min. The presence of hectorite can increase the adsorption ability compared to NCs-alginate. The equilibrium adsorption data followed the Freundlich isotherm;however, the kinetics of adsorption showed the usefulness of adopting the PSO kinetic model. The highest adsorption capacity of B-NcH5 for MB was determined to be 57.59 mg/g. For thermodynamic studies, it was revealed that the adsorption of MB on BNcH-5 is a spontaneous and endothermic process. The removal efficiency was observed in six consecutive cycles, indicating at the favorable reusability of this adsorbent. These results validate the potential use of this B-NcH5 adsorbent for water treatment applications. © 2024

关键词： Adsorption Bead Hectorite Methylene blue Nanocellulose Water treatment

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Optimal STEM Convergence Angle Selection using a Convolutional Neural Network and the Strehl Ratio

arXiv

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arXiv 2020年

作者： Schnitzer, Noah Sung, Suk Hyun Hovden, Robert Department of Materials Science and Engineering University of Michigan Ann ArborMI48019 United States Department of Materials Science and Engineering Cornell University IthacaNY14853 United States Applied Physics Program University of Michigan Ann ArborMI48109 United States

Selection of the correct convergence angle is essential for achieving the highest resolution imaging in scanning transmission electron microscopy (STEM). Use of poor heuristics, such as Rayleigh’s quarter-phase rule, to assess probe quality and uncertainties in measurement of the aberration function result in incorrect selection of convergence angles and lower resolution. Here, we show that the Strehl ratio provides an accurate and efficient to calculate criteria for evaluating probe size for STEM. A convolutional neural network trained on the Strehl ratio is shown to outperform experienced microscopists at selecting a convergence angle from a single electron Ronchigram using simulated datasets. Generating tens of thousands of simulated Ronchigram examples, the network is trained to select convergence angles yielding probes on average 85% nearer to optimal size at millisecond speeds (0.02% human assessment time). Qualitative assessment on experimental Ronchigrams with intentionally introduced aberrations suggests that trends in the optimal convergence angle size are well modeled but high accuracy requires extensive training datasets. This near immediate assessment of Ronchigrams using the Strehl ratio and machine learning highlights a viable path toward rapid, automated alignment of aberration-corrected Copyright © 2020, The Authors. All rights reserved.

关键词： Machine learning

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Unraveling the Cr2N Precipitation and Its Negative Effect on the Corrosion Resistance of Friction Stir Welded UNS S32760 Super Duplex Stainless Steel

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Surfaces and Interfaces 2025年 71卷

作者： Vacchi, G.S. de Carvalho, W.S. Meinhardt, C.P. Bergmann, L.A. Amancio-Filho, S.T. Rovere, C.A.D. Munir Rachid Corrosion Laboratory Department of Materials Engineering Federal University of São Carlos Rodovia Washington Luis Km 235 SP São Carlos 13565-905 Brazil Graduate Program in Materials Science and Engineering Federal University of São Carlos Brazil Institute of Materials Science Joining and Forming BMK Endowed Professorship for Aviation Graz University of Technology – TU Graz Kopernikusgasse 24/1 Graz 8010 Austria Department of Mechanical Engineering Federal University of Pampa Avenida Tiarajú 810 RS Alegrete Brazil Helmholtz-Zentrum Hereon Institute of Materials Mechanics Solid State Materials Processing Max-Planck-Straße 1 Geesthacht Germany

The root surface of a friction stir welded super duplex stainless steel (UNS S32760) was thoroughly characterized in this study. The findings revealed a refined grain structure and a conspicuous increase of 50 HV0.3 in the Root's hardness. Interestingly, the volume fraction of the ferrite phase remained largely unchanged. Rapid cooling in the welding process led to the Cr2N precipitation at the ferrite/ferrite grain boundaries in the root area, significantly increasing sensitization, reducing localized corrosion resistance under high electrode potentials in a neutral pH saline environment, and adversely affecting root passivity in a hydrochloric acid environment compared to the base metal.

关键词： Friction stir welding Localized corrosion Polarization Sensitization Super duplex stainless steel

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Prediction of carbon nanostructure mechanical properties and role of defects using machine learning

arXiv

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arXiv 2021年

作者： Zhao, Qi Winetrout, Jordan J. Xu, Yanxun Wang, Yusu Heinz, Hendrik Halıcıoglu Data Science Institute University of California San Diego San diegoCA92093 United States Department of Chemical and Biological Engineering University of Colorado Boulder BoulderCO80309 United States Materials Science and Engineering Program University of Colorado Boulder BoulderCO80309 United States Department of Applied Mathematics and Statistics Johns Hopkins University BaltimoreMD21218 United States

Carbon fiber and graphene-based nanostructures such as carbon nanotubes (CNTs) and defective structures have extraordinary potential as strong and lightweight materials. A longstanding bottleneck has been lack of understanding and implementation of atomic-scale engineering to harness the theoretical limits of modulus and tensile strength, of which only a fraction is routinely reached today. Here we demonstrate accurate and fast predictions of mechanical properties for CNTs and arbitrary 3D graphitic assemblies based on a training set of over 1000 stress-strain curves from cutting-edge reactive MD simulation and machine learning (ML). Several ML methods are compared and show that our newly proposed hierarchically structured graph neural networks with spatial information (HS-GNNs) achieve predictions in modulus and strength for any 3D nanostructure with only 5-10% error across a wide range of possible values. The reliability is sufficient for practical applications and a great improvement over off-the shelf ML methods with up to 50% deviation, as well as over earlier models for specific chemistry with 20% deviation. The algorithms allow more than 100 times faster mechanical property predictions than traditional molecular dynamics simulations, the identification of the role of defects and random 3D morphology, and high-throughput screening of 3D structures for enhanced mechanical properties. The algorithms can be scaled to morphologies up to 100 nm in size, expanded for chemically similar compounds, and trained to predict a broader range of properties. © 2021, CC BY.

关键词： Defects

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Configurable antiferromagnetic domains and lateral exchange bias in atomically thin CrPS4

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Nature materials 2025年 1-10页

作者： Yu-Xuan Wang Thomas K. M. Graham Xin-Yue Zhang Brian B. Zhou Ricardo Rama-Eiroa Elton J. G. Santos Mohammad H. Badarneh Md Ariful Islam Rafael Nunes Gontijo Ganesh Prasad Tiwari Tibendra Adhikari Zhong Lin Kenji Watanabe Takashi Taniguchi Claire Besson Department of Physics Boston College Chestnut Hill MA USA Donostia International Physics Center (DIPC) Donostia-San Sebastián Spain Institute for Condensed Matter and Complex Systems School of Physics and Astronomy University of Edinburgh Edinburgh UK Higgs Centre for Theoretical Physics University of Edinburgh Edinburgh UK Department of Physics Applied Physics and Astronomy Binghamton University Binghamton NY USA Materials Science and Engineering Program Binghamton University Binghamton NY USA Research Center for Electronic and Optical Materials National Institute for Materials Science Tsukuba Japan Research Center for Materials Nanoarchitectonics National Institute for Materials Science Tsukuba Japan Department of Chemistry Binghamton University Binghamton NY USA

Interfacial exchange coupling between antiferromagnets (AFMs) and ferromagnets (FMs) crucially makes it possible to shift the FM hysteresis, known as exchange bias, and to switch AFM states. Two-dimensional magnets unlock opportunities to combine AFM and FM materials; however, the buried AFM–FM interfaces obtained by stacking remains challenging to understand. Here we demonstrate interfacial control via intralayer exchange coupling in the layered AFM CrPS4, where connected even and odd layers realize pristine lateral interfaces between AFM-like and FM-like regions. We distinguish antiphase even-layer states by scanning nitrogen-vacancy centre magnetometry due to a weak surface magnetization. This surface magnetization enables control over the even-layer state, with different regions switching at distinct fields due to their own lateral couplings. We toggle three AFM domains adjacent to a FM-like region and demonstrate a tunable multilevel exchange bias. Our nanoscale visualization unveils the microscopic origins of exchange bias and advances single two-dimensional crystals for hybrid AFM–FM technologies.

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