Article
Multidisciplinary Sciences
Sandra Hultmark, Alex Cravcenco, Khushbu Kushwaha, Suman Mallick, Paul Erhart, Karl Borjesson, Christian Mueller
Summary: The study demonstrates that mixing organic molecules can reduce fragility, with octonary perylene mixtures showing a remarkably low fragility value. This opens up a new avenue for designing ultrastrong organic glass formers.
Review
Physics, Multidisciplinary
Vladimir N. Novikov, Alexei P. Sokolov
Summary: This review focuses on the mechanisms that control the steepness of the temperature dependence of structural relaxation in glass-forming liquids. It discusses the specific case of polymeric glass-forming liquids and the possible role of quantum effects in the glass transition.
Article
Multidisciplinary Sciences
B. Yao, M. Paluch, Z. Wojnarowska
Summary: The researchers discovered a hidden liquid-liquid phase transition in a trihexyl(tetradecyl)phosphonium ionic liquid. They found that an ionic liquid with an anion containing branched -O-(CH2)(5)-CH3 side chains does not exhibit the liquid-liquid phase transition, while an ionic liquid with shorter alkyl chains in the anion brings a hidden liquid-liquid phase transition that overlaps with the liquid-glass transition. High-pressure studies showed that the ionic liquid with the hidden phase transition has relatively strong pressure sensitivity.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Physical
J. C. Yungbluth, G. A. Medvedev, B. M. Savoie, J. M. Caruthers
Summary: This study uses molecular dynamics simulations to find a simple functional relationship between a structural property and the temperature dependent translational diffusion coefficient. The relationship is described by the mean squared-force per molecule, F-2, and holds for various systems and different temperature ranges. This discovery sheds light on the physical mechanisms governing molecular mobility in liquids.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Polymer Science
Gaopeng Shi, Yuanbiao Liu, Guozhang Wu
Summary: This study successfully designed polymeric materials with low dynamic fragility but high glass transition temperature by introducing ionic coordination, and investigated the influence of coordination strength on T-g and m. Experimental results showed that increasing coordination strength led to higher T-g and lower m, with enthalpy change playing a significant role in m.
Article
Polymer Science
Gaopeng Shi, Yuanbiao Liu, Guozhang Wu
Summary: This study proposes the design of polymeric materials with low m but high T-g by introducing ionic coordination. The results show that T-g increases with the addition of metallic ions, while m varies depending on the coordination strength. Additionally, the experiments reveal a close correlation between m and Delta C-p and Delta H-R.
Article
Chemistry, Physical
Projesh Kumar Roy, Andreas Heuer
Summary: In this work, the fragile-to-strong crossover of a model two-dimensional (2D) glassy system was analyzed via molecular dynamics simulation, with results showing a quantitative relationship with the parameters of the energy landscape. The low-temperature behavior of 2D silica was found to be surprisingly similar to that of 3D silica.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Tatsuki Nakane, Takashi Sasaki
Summary: The anomalous dynamics and glass transition behavior of supercooled liquids under nanoconfinement, such as ultrathin polymer films, have been studied. The dynamics of bulk materials without confinement have been explained by the dynamically correlated network (DCN) model. In this study, the DCN model was applied to nanoconfined free-standing films, and it was found that the average size of DCNs decreased with decreasing thickness due to confinement. The fractal dimension of the generated DCNs also exhibited a peak with respect to temperature.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Physical
L. Hecht, R. Horstmann, B. Liebchen, M. Vogel
Summary: Experimental studies show that the high-temperature activation energy of glass-forming liquids is directly related to their glass transition temperature. By analyzing glassy dynamics of binary mixtures using molecular dynamics simulations, a quadratic charge dependence between activation energy and glass transition temperature was found.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Materials Science, Ceramics
Pavel Hrma, Pavel Ferkl, Albert A. Kruger
Summary: The activation energy for glass melt viscosity depends on temperature, with a transition from Arrhenian to non-Arrhenian behavior within a specific range of viscosity values. The crossover point between the two behaviors falls within the glass processing range. The configuration entropy of the glass melt remains nearly constant at high temperatures but decreases with decreasing temperature as the glass becomes more polymerized. The crossover viscosity is limited by the range of configuration entropy of the fully depolymerized melt, and can be defined using a fixed viscosity value for specific glass families.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Polymer Science
Ji-Ping Wang, Wen-Bing Hu
Summary: The study revealed that at low temperatures, intermolecular cooperation leads to physical cross-linking and affects the nonlinear viscoelastic behavior of polymer stress relaxation, slowing down the relaxation process.
CHINESE JOURNAL OF POLYMER SCIENCE
(2021)
Article
Polymer Science
Heitor Luiz Ornaghi, Roberta Motta Neves, Francisco Maciel Monticeli, Sabu Thomas
Summary: This study focused on modeling dynamic mechanical curves of kenaf/polyester composites using response surface methodology, showing the significant impact of fiber behavior and interface on composite properties. The RSM approach enabled viscoelastic modeling with different fiber volumes, demonstrating high reliability and low error.
JOURNAL OF APPLIED POLYMER SCIENCE
(2022)
Article
Polymer Science
Mariko Sasaki, Yusuke Kashihara, Yoshiaki Urahama, Tomoyasu Hirai, Syuji Fujii, Yoshinobu Nakamura
Summary: The study found that the cross-linked polymer B performs better than A in some aspects, such as a higher tack peak temperature and better wettability and deformability of PSA. Through dynamic mechanical analysis and nuclear magnetic resonance measurements, it was discovered that the lower G' of B is due to its weaker intermolecular interactions.
JOURNAL OF APPLIED POLYMER SCIENCE
(2021)
Article
Chemistry, Physical
Geert Kapteijns, David Richard, Eran Bouchbinder, Thomas B. Schroder, Jeppe C. Dyre, Edan Lerner
Summary: This study proposes a potential factor controlling the viscous slowing down, the mesoscopic elastic stiffness κ(T), and finds it increases more strongly with decreasing temperature compared to the macroscopic inherent structure shear modulus G(T). Additionally, a direct connection between the liquid's underlying mesoscopic elasticity and enthalpic energy barriers is suggested by the relation ΔE(T) proportional to κ(T) in some computer liquids. However, this relation fails in liquids with highly fragmented potential energy landscapes.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Polymer Science
Shilong Wu, Huanhuan Yang, Quan Chen
Summary: Molecular theories for dynamics of entangled polymers are based on the number of Kuhn segments per entanglement and the number of entanglements per chain. Linear viscoelasticity can be properly normalized, but normalization fails in the nonlinear extensional rheological properties. This study identifies a suitable model system with fixed parameters and finds that the degree of transient strain hardening during extensional flow increases with alkyl group size, attributed to weaker friction reduction when the main backbones are more separated.
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)