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
Multidisciplinary Sciences
Le Yang, Gabriele Vajente, Mariana Fazio, Alena Ananyeva, GariLynn Billingsley, Ashot Markosyan, Riccardo Bassiri, Kiran Prasai, Martin M. Fejer, Martin Chicoine, Francois Schiettekatte, Carmen S. Menoni
Summary: Glasses are non-equilibrium solids with properties highly dependent on their preparation methods. Vapor deposition at elevated temperatures can modify the atomic arrangement of strong network-forming GeO2 glass at medium range, increasing the population of six-membered GeO4 rings and reducing room temperature internal friction. This enhanced medium-range organization is important for designing interference coatings in gravitational wave interferometers.
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
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
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
Ying Shi, Binghui Deng, Ozgur Gulbiten, Mathieu Bauchy, Qi Zhou, Joerg Neuefeind, Stephen R. Elliott, Nicholas J. Smith, Douglas C. Allan
Summary: Despite decades of studies, the nature of the glass transition remains elusive. Fragility, which describes the sharpness of dynamical arrest at the glass transition, is inversely correlated with the medium-range order structure characterized by the average medium-range distance (MRD). Low MRD values indicate an excess of unstable small network rings in glasses, which deform more readily with temperature changes and increase fragility.
NATURE COMMUNICATIONS
(2023)
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
Materials Science, Multidisciplinary
Takeshi Egami, Wojciech Dmowski, Chae Woo Ryu
Summary: In crystals, lattice defects, such as dislocations, control mechanical deformation. Similarly, it is widely believed that even in glasses and liquids some kinds of defects, strongly disordered regions, play a major role in deformation. Recent results raise questions about the assumption that short-range order (SRO) in the nearest-neighbor cage of atoms determines defects in glasses and liquids.
Article
Materials Science, Multidisciplinary
Masato Shimono, Hidehiro Onodera
Summary: The atomic structure of medium-range order in metallic glasses has been investigated using molecular dynamics simulations. Two types of atomic clusters with five-fold symmetry, icosahedral clusters and Frank-Kasper clusters, were found in glassy phases. The formation of these clusters is enhanced by a considerable atomic size difference between alloying elements, and they are mainly connected in the network structure by volume sharing connections between I- and Z-clusters.
Article
Materials Science, Ceramics
D. Tsiulyanu, M. Veres, R. Holomb, M. Ciobanu
Summary: The Raman scattering of nonstoichiometric chalcogenide alloys reveals the structural transformations and unusual features of these glasses. Narrow compositional areas with high structural self-organization were observed, mainly due to the increase of highly flexible species, such as quasi-tetrahedral (QT) S=As(S1/2)3. The composition (GeS4)x(AsS3)1-x around Ge7.7As15.3S77 exhibited a strongly self-organized glass with a high concentration of QT S=As(S1/2)3, forming the building blocks of the structure. The Raman scattering strengths correlated well with the middle range ordering parameters, molar volume, and elastic modulus.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Materials Science, Ceramics
M. El Ayoubi, A. Khmich, A. Samiri, A. Hasnaoui
Summary: In this study, molecular dynamics simulations were used to investigate the Medium-Range Order (MRO) in Mg-Al binary metallic glasses (MGs). The impact of cooling rate, composition, and mechanical solicitations on the structural properties at the MRO level was comprehensively studied. The results revealed that the 1-atom connection mode was consistently dominant across all cooling rates. Additionally, the influence of composition on the properties of MgxAl100-x alloys was found to be highly sensitive. The relationship between mechanical properties and connection modes during tensile deformation was also explored, with different connection modes exhibiting different hardness and stability.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Physics, Multidisciplinary
Yas Al-Hadeethi, Arwa T. Kutbee, Moustafa Ahmed, M. Sayyed, Gangareddy Jagannath
Summary: The nonlinear optical properties of alkali borate-based glasses containing gold nanoparticles embedded in AuCl3 were studied. It was found that glasses doped with 0.02 mol% AuCl3 and heat treated at 450 degrees C for 30 hours showed potential for applications in nonlinear photonic devices in the visible region.
EUROPEAN PHYSICAL JOURNAL PLUS
(2022)
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
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
Materials Science, Ceramics
Ekaterina Koroleva, Ilya Reshetov, Ekaterina Babich, Sergey Vakhrushev, Dmitry Tagantsev, Andrey Lipovskii
Summary: Broadband dielectric spectroscopy (BDS) was used to investigate polarization phenomena in alkaline silicate glasses. A consistent model of poled glasses was proposed and it was found that the electric properties of the polarized layers depend on the structure of the anodic electrode.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2022)
Article
Chemistry, Analytical
Ekaterina Babich, Sergey Scherbak, Ekaterina Lubyankina, Valentina Zhurikhina, Andrey Lipovskii
Summary: This paper considers the problem of optimizing the topology of metal structures for Surface Enhanced Raman Scattering (SERS) sensing. A model is developed to randomly distribute hemispheroidal particles on a glass substrate and estimate the SERS capabilities of the resulting structures. Power Spectral Density (PSD) analysis is applied to both simulated structures and atomic force microscope images, and compared with measured SERS signals to identify and select a structure topology that can provide maximum enhancement of Raman signal.
Article
Materials Science, Ceramics
Bin Liu, Yaoyao Mo, Yongwei Liu, Yunjun Lu, Xiaoyan He, Yinsheng Xu, Andrey Lipovskii, Guang Yang
Summary: This study fabricates gradient refractive index (GRIN) microgratings in chalcohalide glasses by microthermal poling and investigates the effects of alkali cations on their performance. The results demonstrate that controllable GRIN microstructures can be achieved by adjusting the type and concentration of alkali cations, providing new insights for the design of broadband GRIN microgratings.
CERAMICS INTERNATIONAL
(2022)
Article
Chemistry, Physical
Ilya Reshetov, Sergey Scherbak, Dmitry Tagantsev, Valentina Zhurikhina, Andrey Lipovskii
Summary: This study demonstrates for the first time that additional poling at room temperature of a soda-lime glass can significantly increase its optical second harmonic signal. The observed orientation of hydrogenated dipoles near the glass surface is found to be responsible for the nonlinear behavior of the glass. This finding has implications for molecular physics and electrodynamic studies.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Optics
S. A. Scherbak, A. A. Lipovskii
Summary: This study compares the optical second-harmonic (SH) response of axially symmetric media excited by tightly focused radially and linearly polarized beams. The simulation shows a significant redistribution of energy between the lobes/cones of the SH radiation pattern depending on the focusing accuracy in the case of surface/interface nonlinearity. Replacing the interface with a nonlinear layer leads to noticeable broadening of the SH radiation patterns, allowing for differentiation between surface nonlinearity and bulk.
JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS
(2022)
Article
Chemistry, Analytical
Alexey Skvortsov, Ekaterina Babich, Andrey Lipovskii, Alexey Redkov, Guang Yang, Valentina Zhurikhina
Summary: We studied the surface-enhanced Raman spectra of amino acids, D-alanine and DL-serine, and their mixture on a silver nanoisland film immersed in phosphate-buffered saline solution. The results showed that the spectra from the amino acid solutions differed from the reference spectra for microcrystallites due to the electrostatic orientation of amino acid zwitterions by the metal nanoisland film. Moreover, non-additive peaks were observed in the spectrum of the mixture of amino acids adsorbed on the nanoisland film, indicating significant intermolecular interactions.
Article
Chemistry, Physical
Andrey Lipovskii, Dmitry Tagantsev, Anton Trushin
Summary: It has been experimentally demonstrated that metallic copper in glasses can act as a reducing agent, leading to the formation of metal nanoparticles. By introducing silver ions into an alkali silicate glass containing copper nanoparticles via ion exchange, silver nanoparticles are formed while the initially present copper nanoparticles disappear. The process is explained by the redox reaction Cu-0 + Ag+ -> Cu+ + Ag-0 occurring in the silver ion exchange.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Optics
Ilya Reshetov, Vladimir Kaasik, Gennadiy Kan, Sergey Shestakov, Sergey Scherbak, Valentina Zhurikhina, Andrey Lipovskii
Summary: In this study, the introduction of second-order optical nonlinearity (SON) into soda-lime and alkali-free flint glasses was investigated using electron beam irradiation and thermal poling techniques. The experiments demonstrated noticeable second-harmonic generation (SHG) in both thermally poled soda-lime glass and e-beam poled flint glass. However, the observed coincidence in the SH signal intensity could not be explained by the existing model based on the relationship between second-order nonlinear susceptibility, third-order susceptibility, and the electric field in glasses. This suggests the presence of another mechanism of SON in thermally poled soda-lime glass.
Article
Chemistry, Physical
Sergey A. Scherbak, Vladimir P. Kaasik, Valentina V. Zhurikhina, Andrey A. Lipovskii
Summary: This study presents a technique for poling of glasses using a resistive barrier discharge plasma in the atmosphere. Results showed that only a sufficient voltage can provide efficient poling, and the penetration of hydrogen/hydronium ions generated by the plasma discharge plays a key role in the process.
Article
Chemistry, Multidisciplinary
Ekaterina Babich, Igor Reduto, Andrey Lipovskii
Summary: For the first time, this study demonstrates the formation of Au/Ag alloy nanoparticles by introducing silver ions in glass containing gold nanoparticles and subjecting the glass to additional heat treatment. The ability to control the localized surface plasmon resonance of the nanoparticles by selecting the heat treatment temperature expands their customizability for various applications.
Article
Optics
Sergey Scherbak, Ilya Reshetov, Gennadiy Kan, Andrey Lipovskii
Summary: This article presents a comprehensive integral formulation that describes second harmonic generation using tightly focused linearly and radially polarized beams on the surface of isotropic media with an arbitrary distribution of the nonlinear susceptibility. We numerically simulated the effects caused by the straight edge of the nonlinear region. Specifically, we demonstrate that the presence of the edge allows for second harmonic radiation in the normal direction, which is typically forbidden in highly symmetrical nonlinear surfaces, due to the chi((2))(xzx) component of the second-order susceptibility.
Article
Physics, Applied
N. Kryzhanovskaya, I. A. Melnichenko, A. S. Bukatin, A. A. Kornev, N. A. Filatov, S. A. Shcherbak, A. A. Lipovskii, A. S. Dragunova, M. M. Kulagina, A. Likhachev, M. Fetisova, I. Reduto, M. Maximov, A. E. Zhukov
Summary: The dependence of the spectral position of a microdisk laser on the refractive index of an aqueous solution is studied. A maximum resonance shift of 9.4 nm/RIU was observed when 10 μm microdisk lasers were immersed in an aqueous glucose solution.
TECHNICAL PHYSICS LETTERS
(2022)
Article
Physics, Multidisciplinary
I. Reshetov, A. Redkov, V. G. Melehin, V. V. Zhurikhina, A. A. Lipovskii
Summary: This paper focuses on the crystallization process in K2O-TiO2-SiO2 glass during thermal poling, revealing that the glass remains transparent near the electrode while a frosted structure forms in areas with an air gap between the electrode and glass, with a transition region formed between the two.
ST PETERSBURG POLYTECHNIC UNIVERSITY JOURNAL-PHYSICS AND MATHEMATICS
(2022)
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)
