Article
Materials Science, Multidisciplinary
Keita Nomoto, Anna Ceguerra, Christoph Gammer, Bosong Li, Huma Bilal, Anton Hohenwarter, Bernd Gludovatz, Jurgen Eckert, Simon P. Ringer, Jamie J. Kruzic
Summary: The study revealed the hierarchical structure of BMGs through nanobeam electron diffraction experiments, showing that the local hardness of microscale domains decreases with the size and volume fraction of atomic clusters with higher local MRO. A model of ductile phase softening was proposed to enable the design of BMGs in the future by tuning the MRO size and distribution in the nanostructure.
Article
Materials Science, Multidisciplinary
Alec Mishkin, Jun Jiang, Rui Zhang, Hai-Ping Cheng, Kiran Prasai, Riccardo Bassiri, Martin Fejer
Summary: In this paper, a computational tool is presented to identify the bonded atoms' shortest path connecting any pair of atoms at an arbitrary distance, which is called as chains and well suited for characterizing medium-range order. The application of this tool to force enhanced atomic refinement produced models of 50% zirconia tantala reveals a systematic change in the medium-range order caused by heat treatment, attributed to chains becoming kinkier. An in-depth analysis on specific chains also demonstrates the correlation between peaks seen in the pair distribution function. Zirconia tantala is used as an example, but this tool can be easily applied to other materials.
Article
Multidisciplinary Sciences
Jing Wang, Ping Jiang, Fuping Yuan, Xiaolei Wu
Summary: This study demonstrates the existence of chemical medium-range order (CMRO) in an Al9.5CrCoNi high-/medium-entropy alloy (H/MEA) and observes CMRO entities with lattice periodicity. Dark-field imaging and atomic-resolution EDS mapping reveal the pairing tendencies of atoms in the medium range and the avoidance of like-pair and preference for unlike-pair. These findings provide insights into the microstructural link at an extended length scale beyond the short-range order.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Chongwei Zhu, Kazutaka Shoyama, M. A. Niyas, Frank Wuerthner
Summary: In this study, a new concept of carbon allotrope called fullerene-embedded schwarzite was introduced. Crystals of fullerene embedded in a polycyclic aromatic hydrocarbon were isolated and studied as a substructure of a hypothetical fullerene-schwarzite complex. The stability of the complex was analyzed using theoretical methods, and the importance of noncovalent interactions driven by dispersion forces for stabilization was highlighted. This research provides insights into the development of novel sp(2)-carbon allotropes comprising multiple components.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Physics, Fluids & Plasmas
Dong Jae Chun, Younghoon Oh, Bong June Sung
Summary: The dynamic heterogeneity and translation-rotation decoupling in glasses and supercooled liquids are closely related to the local structure development, with significant differences observed between 2D polydisperse colloids and 2D binary colloids. Tracers in 2D polydisperse colloids exhibit a shape-dependency parameter of the decoupling that grows with the dynamic correlation length, while tracers in 2D binary colloids do not show a similar correlation, highlighting the relationship between dynamic heterogeneity, translation-rotation decoupling, and local structure development in glasses.
Article
Chemistry, Multidisciplinary
Chongwei Zhu, Kazutaka Shoyama, M. A. Niyas, Frank Wuerthner
Summary: In this study, a new concept of carbon allotrope, fullerene-embedded schwarzite, is introduced. Crystals of fullerene embedded in a polycyclic aromatic hydrocarbon material are isolated and their stability is investigated using experimental and theoretical methods. Noncovalent interactions driven by dispersion forces are found to play a key role in stabilizing the complex. This study opens up new possibilities for the development of novel carbon allotropes comprising multiple components.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Nanoscience & Nanotechnology
Mehrdad Abbasi, Yutao Dong, Jun Meng, Dane Morgan, Xudong Wang, Jinwoo Hwang
Summary: The evolution of medium range ordering (MRO) and crystallization behavior of amorphous TiO2 films grown by atomic layer deposition were investigated using in situ four-dimensional scanning transmission electron microscopy. The degree of MRO increases with temperature and reaches the maximum when crystallization starts to occur. In addition, post-annealing only develops a small portion of MRO into crystal nuclei, while the remaining MRO regions undergo structural relaxation. Crystallographic defects within crystal phases were observed, which may affect the corrosion resistance of the film. Understanding and controlling MRO is important for optimizing ALD-grown amorphous films for future functional devices and renewable energy applications.
Article
Materials Science, Multidisciplinary
Duyu Chen, Xinyu Jiang, Duo Wang, Justine Ilyssa Vidallon, Houlong Zhuang, Yang Jiao
Summary: Medium-entropy alloys (MEAs) and high-entropy alloys (HEAs) are composed of mixtures of three or more elements in equal or relatively large proportions. They exhibit superior mechanical performance, unusual thermal and electronic transport properties, and resistance to corrosion. However, the atomic structures of these alloys are not well understood. In this study, a multihyperuniform (MH) model for disordered MEAs is developed, which suppresses composition fluctuations for atomic species and captures experimentally observed atomic short-range orders. The MH model provides predictions for lattice constants, electronic band gaps, and offers potential applications in optoelectronics and thermoelectrics.
Article
Nanoscience & Nanotechnology
Weijin Cai, Junyang He, Li Wang, Wenchao Yang, Xiangqi Xu, Khurram Yaqoob, Zhangwei Wang, Min Song
Summary: This study investigates the chemical short-range order (CSRO) in VCoNi medium-entropy alloy (MEA) processed by spark plasma sintering (SPS) and hot-rolling (HR). The SPS-HRed MEA exhibits a sharp increase in strength compared to the cast counterpart, attributed to the presence of dislocations, stacking faults, nano-twins, and V-oxide particles. Despite differences in microstructure and thermal routes, the CSRO in the SPS-HRed MEA shows a similar L11-type structure motif and sub-nanometer size. The preference of V-Co and avoidance of V-V pairs are observed, while the preference of V-Ni pair disappears due to the varying matrix composition.
SCRIPTA MATERIALIA
(2023)
Article
Nanoscience & Nanotechnology
Andrea Picone, Marco Finazzi, Lamberto Duo, Dario Giannotti, Franco Ciccacci, Alberto Brambilla
Summary: This experimental study investigates the interplay between the structural details and electronic properties of the C-60/Ni(111) interface, revealing the stabilization of two different phases and the adsorption geometry of the molecules. The results show that the electronic properties of C-60/Ni(111) are strongly influenced by the morphology of the interface, suggesting the potential for tuning the electronic properties of organic/inorganic heterostructures by adjusting the structural coupling with the substrate.
ACS APPLIED NANO MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Songling Liu, Xinyu Luo, Jingshan Cao, Zhaoyuan Liu, Beibei Xu, Yonghao Sun, Weihua Wang
Summary: This study evaluates the chemical medium-range ordering in liquid alloys using persistent homology, and finds that in metallic glasses, this ordering is regulated by the activation and inhibition of the constituent components, resulting in a Turing pattern in the topology. The chemical medium-range ordering strongly depends on the elemental types.
MATERIALS TODAY PHYSICS
(2023)
Article
Chemistry, Inorganic & Nuclear
Victor A. A. Brotsman, Nadezhda B. B. Tamm, Ilya N. N. Ioffe, Andrei A. A. Eliseev, Alexey A. A. Goryunkov, Konstantin A. A. Lyssenko, Sergey I. I. Troyanov
Summary: By using X-ray crystallography, it was discovered that low-chlorinated fullerenes, dimeric (C60Cl5)(2) and one-dimensional, polymeric (C60Cl4)(infinity), can be obtained through high-temperature (270 degrees C) chlorination of C-60 with a SbCl5/SbCl3 mixture. The compounds were characterized by IR and Raman spectroscopy and theoretical calculations. This is the first observation of a fullerene polymer with single C-C bonding and neutral building blocks.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Physical
Sung Keun Lee, A. Chim Lee, Jin Jung Kweon
Summary: The study investigates the pressure-induced evolution of proximity among cations on a medium-range scale in borate glasses. As pressure increases, segregation between distinct coordination environments decreases, promoting a more homogeneous distribution of structural units. The results highlight a direct link between pressure-induced increase in medium-range disorder and densification of glasses under extreme compression.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Materials Science, Ceramics
P. Jovari, V Nazabal, C. Boussard, S. Cui, I Kaban, S. Michalik, M. A. Webb, D. Le Coq, R. Chernikov, N. Chen, J. Darpentigny
Summary: This study examined glasses with approximate compositions of GeTe4-Ag using multiple experimental techniques. By employing simulation techniques, the chemical correlations were determined. The results showed that Ge atoms were mainly fourfold coordinated, while Te atoms were predominantly twofold coordinated. Additionally, the addition of Ag did not alter the topology of the GeTe4 host network, and neighboring GeTe4 tetrahedra continued to predominantly exhibit corner sharing configuration.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Materials Science, Multidisciplinary
Soohyun Im, Yuchi Wang, Pengyang Zhao, Geun Hee Yoo, Zhen Chen, Gabriel Calderon, Mehrdad Abbasi Gharacheh, Menglin Zhu, Olivia Licata, Baishakhi Mazumder, David A. Muller, Eun Soo Park, Yunzhi Wang, Jinwoo Hwang
Summary: Medium-range ordering (MRO) and structural heterogeneity in Zr-Cu-Co-Al metallic glasses (MGs) have been characterized, showing that the degree of heterogeneity in MRO structures directly correlates with the ductility of the MGs. Different types and sizes of MRO regions influence the stress-strain curve, connected-free-volume, and total number of extreme strain value sites.
PHYSICAL REVIEW MATERIALS
(2021)
Article
Microscopy
C. Gao, C. Hofer, T. J. Pennycook
Summary: Ptychography provides high dose efficiency images that can reveal light elements next to heavy atoms. However, contrast reversals can occur when the projected potential becomes strong. Recent research has shown that these reversals can be counteracted by adapting the focus. This study explains why the best contrast is often found with the probe focused to the middle of the sample and highlights the importance of convergence angle in thin samples to remove contrast reversals.
Article
Microscopy
J. Lindner, U. Ross, T. Meyer, V. Boureau, M. Seibt, Ch. Jooss
Summary: Phase-shifting electron holography is an excellent method with high phase sensitivity to reveal electron wave phase information. An advanced drift correction scheme is proposed in this study, which exploits the interface of the TEM specimen and the vacuum area in the hologram. This method allows for obtaining reliable phase information.
Article
Microscopy
Ali Jaberi, Nicolas Brodusch, Jun Song, Raynald Gauvin
Summary: This study investigates knock-on damage in lithium-ion batteries (LIBs) by computing threshold displacement energies (TDEs) and performing Monte Carlo simulation. The results indicate that Li is most sensitive to knock-on damage at moderate electron energies, and TDE is the principal parameter for assessing Li sensitivity to knock-on damage across similar structures.
Article
Microscopy
Alexander Schroeder, Christopher Rathje, Leon van Velzen, Maurits Kelder, Sascha Schaefer
Summary: This study utilizes novel event-based electron detector platforms to extend the temporal resolution of electron microscopy. By training a neural network to predict electron arrival time, the researchers were able to improve the timing accuracy and achieve a promising solution for enhancing electron timing precision in various electron microscopy applications.
Article
Microscopy
Avi Auslender, Nivedita Pandey, Amit Kohn, Oswaldo Dieguez
Summary: This article describes a faster implementation based on DFT for computing the mean inner potential of crystals, providing quantum-mechanical calculations beyond the independent-atom approximation. The study also reveals the dependence of the mean inner potential on sample boundary conditions, mass density, and magnetic susceptibility, highlighting its correlation with various material properties.
Article
Microscopy
Zhidong Yang, Dawei Zang, Hongjia Li, Zhao Zhang, Fa Zhang, Renmin Han
Summary: In this work, we propose a self-supervised deep learning model for cryo-ET volumetric image denoising based on noise modeling and sparsity guidance. Experimental results demonstrate that our method can achieve reliable denoising by training on single noisy volume and outperform existing methods.
Article
Microscopy
J. Kuttruff, J. Holder, Y. Meng, P. Baum
Summary: In this study, a robust clustering algorithm is proposed that can find clusters in a continuous stream of raw data in real time. This algorithm converts pixel hits measured by hybrid pixel detectors to real single-electron events. By continuously comparing with previous hits, the algorithm efficiently identifies the merging of new and old events.
Article
Microscopy
D. G. Senturk, C. P. Yu, A. De Backer, S. Van Aert
Summary: This article presents a statistics-based method for accurately counting the number of atoms in nanostructures, especially for images acquired with low electron doses and multiple element structures.
Article
Microscopy
Mauricio J. Prieto, Lucas de Souza Caldas, Liviu C. Tanase, Thomas Schmidt, Oscar Rodriguez de la Fuente
Summary: This study presents a synchrotron-based investigation of the synthesis process of a magnetite/hematite bilayer. Ion bombardment gradually transforms hematite into magnetite, and the growth of magnetite leads to the formation of stable boundaries. These findings are significant for understanding novel oxide heterostructures.
Article
Microscopy
Emre Yoruk, Holger Klein, Stephanie Kodjikian
Summary: Beam sensitive nanomaterials pose challenges for crystallographic structure determination. A dose symmetric electron diffraction tomography (DS-EDT) method is developed to reduce beam damage and obtain complete data sets by merging individual datasets from multiple crystals.
Article
Microscopy
A. Pofelski, Y. Zhu, G. A. Botton
Summary: The precision and sensitivity of the GPA method for strain characterization is a widely discussed topic. This study introduces the concept of phase noise and analyzes the parameter of sampling to improve the precision of GPA. Experimental and theoretical results demonstrate that using a larger pixel spacing in STEM can enhance the precision and sensitivity of the GPA method.
Article
Microscopy
Sangjun Kang, Di Wang, Christian Kuebel, Xiaoke Mu
Summary: Transmission electron microscopy is a valuable tool for assessing strain fields within materials. However, using thin specimens in TEM analysis can affect atomic configuration and deformation structure.