Article
Physics, Condensed Matter
R. M. Khusnutdinoff, R. R. Khairullina, A. A. Suslov, V. Lad'yanov, A. Mokshin
Summary: This study reveals the presence of icosahedral short-range order in nickel melts, which can transform into clusters with a fcc/hcp symmetry through a "liquid-crystal" phase transition. It also highlights the inadequacy of the Voronoi tessellation method in correctly identifying the distorted icosahedral short-range order in metal melts.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
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
Chemistry, Multidisciplinary
Ryuji Tamura, Asuka Ishikawa, Shintaro Suzuki, Takahiro Kotajima, Yujiro Tanaka, Takehito Seki, Naoya Shibata, Tsunetomo Yamada, Takenori Fujii, Chin-Wei Wang, Maxim Avdeev, Kazuhiro Nawa, Daisuke Okuyama, Taku J. Sato
Summary: Long-range magnetic order was observed in real icosahedral quasicrystals, with ferromagnetic transitions and appearance of magnetic Bragg peaks. Substitution of doping elements still retained ferromagnetic behavior. These findings contribute to further investigation of exotic magnetic orders on real quasiperiodic lattices with unprecedented highest global symmetry.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
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
Multidisciplinary Sciences
Shinji Watanabe
Summary: Quasicrystals have unique lattice structures and rotational symmetries that differ from periodic crystals. The electric state and physical property of quasicrystals are not yet fully understood. Recent discovery of ferromagnetic long-range order in rare-earth-based quasicrystals has provided new insights into their magnetic dynamics.
SCIENTIFIC REPORTS
(2022)
Article
Materials Science, Multidisciplinary
Yuhui Zhu, Weizhen Wang, Yuanyuan Song, Shiming Zhang, Hong Li, Aimin Wang, Haifeng Zhang, Zhengwang Zhu
Summary: This study reports the occurrence of atomic-scale structural clustering and atomic arrangements during isothermal annealing. The evolution of atomic-scale structures is closely related to composition variation and has important implications for the chemical and topological packing during the early crystallization stage of metallic glasses.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2022)
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
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, 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
Chemistry, Physical
Stefan Michalik, Pal Jovari, Karel Saksl, Martin Durisin, Dusan Balga, Jacques Darpentigny, Michael Drakopoulos
Summary: Detailed information on the atomic arrangement of glassy Cu54Hf46, Cu61Hf39 and Cu69Hf31 alloys has been obtained through reverse Monte Carlo simulation using high-energy X-ray diffraction and neutron diffraction data. Cu-centered clusters exhibit stronger ordering compared to Hf-centered clusters, and Cu54Hf46 and Cu61Hf39 have better glass forming ability than Cu69Hf31.
JOURNAL OF ALLOYS AND COMPOUNDS
(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
Physics, Fluids & Plasmas
Chae Woo Ryu, Takeshi Egami
Summary: This article discusses the influence of short-range order (SRO) and medium-range order (MRO) on the physical properties of liquids and glasses, showing that MRO plays a critical role in the viscosity of supercooled liquids.
Article
Multidisciplinary Sciences
Xuefei Chen, Qi Wang, Zhiying Cheng, Mingliu Zhu, Hao Zhou, Ping Jiang, Lingling Zhou, Qiqi Xue, Fuping Yuan, Jing Zhu, Xiaolei Wu, En Ma
Summary: The study provides direct experimental evidence of chemical short-range atomic-scale ordering (CSRO) in a VCoNi medium-entropy alloy through diffraction and electron microscopy analysis. The research demonstrates that using specific crystallographic directions can reveal CSRO in face-centred-cubic VCoNi concentrated solution, offering insights into atomic packing configuration and dislocation interactions enhanced by CSROs.
Article
Nanoscience & Nanotechnology
Yuhui Zhu, Yongkang Zhou, Aimin Wang, Hong Li, Huameng Fu, Hongwei Zhang, Haifeng Zhang, Zhengwang Zhu
Summary: The formation and distribution of loose-packing and dense-packing regions in bulk metallic glasses (BMGs) can affect the macroscopic mechanical properties and the trade-off between strength and ductility. This study systematically investigates the structural heterogeneity caused by deep cryogenic treatment (DCT) and its effects on the deformation mechanisms in rejuvenated BMGs. The results suggest that the optimization of structural features, such as icosahedral short-range ordering (ISRO), can enhance the plasticity and strength of BMGs, leading to potential applications in designing BMGs with strength-ductility synergy.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2022)
Article
Physics, Mathematical
Hugo Duminil-Copin, Christophe Garban, Vincent Tassion
Summary: In this paper, we investigate the behavior of statistical physics models on a book with pages that are isomorphic to half-planes. We prove that even for models undergoing a continuous phase transition on Z(2), the phase transition becomes discontinuous as soon as the number of pages is sufficiently large. Our work confirms predictions in theoretical physics and provides further evidence for the analysis of certain quantum spin systems.
COMMUNICATIONS IN MATHEMATICAL PHYSICS
(2023)
Article
Materials Science, Ceramics
Deniz Bozoglu, Sahin Yakut, Kemal Ulutas, Deniz Deger
Summary: Thin film polyethylene oxide, produced by the thermal evaporation technique, exhibits structural and property differences compared to bulk polyethylene oxide. The dielectric constant of polyethylene oxide thin film is 10 times greater than that of bulk polyethylene oxide. There is consistency among dielectric constants, activation energies, and free volume fractions for both thin film and bulk samples. Polyethylene oxide thin film is observed to be more brittle than bulk polyethylene oxide.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Xiaozhen Fan, Zhuo Wang, Zheng Fang, Huiqun Ye, Jinju Zheng, Jianqiang Zhang, Yanjun Qin, Yao Zhai, Yanlong Miao, Zixiang Zhao, Can Yang, Jiajun He, Zhenghang Wei, Yunzhang Fang
Summary: The microscopic strain evolution and microstructural of FeCuNbSiB amorphous alloy samples were studied under both free and tensile stress annealing conditions. It was found that an amorphous-nanocrystalline structure was developed in both samples after annealing at 813 K, and the size of nanocrystals was limited by the applied stress.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Atsushi Tanaka, Atsuki Saito, Takashi Murata, Ayako Nakata, Tsuyoshi Miyazaki
Summary: Although molecular dynamics (MD) simulation is a powerful tool for investigating the atomic-scale structures of complex materials, its reliable and accurate application to multi-component glass systems faces challenges due to limited force fields (FFs) and the complexity of chemical environments. This study demonstrates the feasibility of efficient and accurate large-scale density functional theory (DFT) calculations for multi-component glass systems. The evaluation of classical FFs based on the results of large-scale DFT calculations reveals low accuracy for non-bridging oxygen atoms, and differences in Si-O-Si angle distribution and electronic structure for X = Mg.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Petr Shvets, Ksenia Maksimova, Aleksandr Goikhman
Summary: In this study, vanadium oxide xerogel samples were successfully synthesized through a liquid phase reaction and the interaction of films with water. The samples were thoroughly analyzed using X-ray diffraction and Raman spectroscopy, revealing the existence of two distinct phases. It was also discovered that previous misinterpretations regarding the high-pressure polymorph structure were due to the formation of a high-temperature phase. These findings highlight the potential for further refining and expanding the current structural models of vanadium oxide xerogel in future research efforts.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Yiran Zhang, Jing Pang, Qingchun Xiang, Dong Yang, Yinglei Ren, Xiaoyu Li, Keqiang Qiu
Summary: The effect of the volume fraction of body-centered cubic (BCC) crystal on the room temperature brittleness of Fe-based amorphous nanocrystalline alloys was investigated. Molecular dynamics simulations were conducted to obtain seven model samples with different embedded BCC nanocrystal contents. The results showed a gradient decrease in the plasticity of the alloys with different nanocrystal contents.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Moustafa Sahnoune Chaouche, Hani K. Al-Mohair, Shavan Askar, Barno Sayfutdinovna Abdullaeva, Naseer Ali Hussien, Ahmed Hussien Alawadi
Summary: In this work, a novel micromechanical data-driven machine learning framework was proposed to characterize material parameters in bulk metallic glasses. The framework utilized nanoindentation simulations with Berkovich and spherical tips to compile a vast collection of data on material behavior in BMGs. The developed machine learning model efficiently predicted critical material properties and highlighted the importance of input feature weight functions.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Louisiane Verger, Vinuyan Ganesaratnam, Virginie Nazabal, Sebastien Chenu, Christophe Calers, David Le Coq, Laurent Calvez, Olivier Hernandez, Xiang-Hua Zhang
Summary: Crystallization in Ga, Sb, and Se glasses was studied, and a correlation between Se content, crystalline phases, and electrical conductivity was observed. The resulting glass-ceramics exhibited significantly higher conductivity compared to other Se-based glass-ceramics.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Seong-Sik Shin, Ga-Yeong Kim, Byeonggwan Lee, Jae-Hwan Yang, Yeon-Su Son, Jung-Hoon Choi, Jae-Young Pyo, Ki Rak Lee, Hwan-Seo Park, Hyun Woo Kang
Summary: In this study, silver tungstate-tellurite glass with different loading of AgI was developed for immobilization of radioactive iodine. The effects of increasing the amount of AgI on the glass matrix were investigated. The leaching properties of all samples were evaluated, and it was found that the release of all elements satisfied the US regulation.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Chunghee Nam
Summary: This study demonstrates the prediction performance of a CNN regression model for the magnetic entropy changes and transition temperatures of bulk metallic glasses with magnetocaloric effects. The model achieved high prediction performance, as measured by the determination coefficient and root mean square error. The results showed good agreement with experimental values and reported results.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
A. Hosny, Y. M. Moustafa, G. El-Damrawi
Summary: In this study, crystalline glass ceramics were obtained directly from glasses using an ion exchange process between lead bromide and oxygen ions. The addition of lead bromide caused significant changes in the glass structure and the formation of specific crystalline phases.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Luana Cristina Feitosa Alves, Jheimison Ferreira Gomes, Natacya Fontes Dantas, Maria Nayane Queiroz, Pablo Nabuco Portes, Francielle Sato, Nilma de Souza Fernandes, Karina Miyuki, Celso Vataru Nakamura, Alysson Steimacher, Franciana Pedrochi
Summary: This study evaluated the influence of CaF2 addition on the bioactivity of the samples. The results showed that the samples exhibited good bioactivity and cytocompatibility, making them suitable for biomedical applications.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
N. Keninger, S. Feller
Summary: The principles of Topological Constraint Theory (TCT) were used to study alkali borate and silicate glass systems. Structural models were developed based on experimental data and used to predict properties of the glass.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Hao Wang, Chengliang Zhao, Chuntao Chang, Shengli Zhu, Zhankui Zhao
Summary: The relationship between the heterogeneous structure and structural relaxation in metallic glasses was explored by investigating the quasielastic and viscoelastic behavior of a Zr55Cu30Ni5Al10 metallic glass. Stress-annealing treatment was used to retain elastic strain energy, and a unique creep recovery phenomenon was observed during the reheating process. The Maxwell model was employed to qualitatively describe the mechanisms of elastic strain energy retention and release.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Sihyung Lee, Giyeol Han, Karuppasamy Pandian Marimuthu, Hyungyil Lee
Summary: This study presents a method for extracting FVM parameters of Zr-based TFMG using MD and FEA, and validates the method through simulation and experiments.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Ceramics
Nedra Saad, Mohamed Haouari, Mayssa Ibrahim, Noura Amamou
Summary: In this work, we investigated the optical properties of a fluorophosphate glass system doped with Tb3+ and Eu3+ ions. We found that the emitted light can be tuned by changing the doping concentration, excitation wavelength, or excitation power, which is important for the design of solid-state lighting sources.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)