Article
Chemistry, Physical
Jing Zhou, Si-Yi Di, Bao-An Sun, Rui Zhao, Qiao-Shi Zeng, Jian-Guo Wang, Zhen-Zhong Sun, Wei-Hua Wang, Bao-Long Shen
Summary: This study reveals a distinct fl-relaxation behavior and excellent plasticity in FeNi-based BMGs, which is attributed to the structural heterogeneity playing a key role in their dynamics, leading to a large amount of loosely packed regions. The pronounced fl-relaxation is also found to have a good correlation with the plasticity for the FeNi-based BMGs, providing potential guidance for the development of plastic BMGs from an atomic structural and glass dynamic perspective.
Article
Physics, Multidisciplinary
Luis F. Elizondo-Aguilera, Tommaso Rizzo, Thomas Voigtmann
Summary: This study demonstrates the presence of nonequilibrium scaling laws for the aging and equilibration dynamics in glass formers, which result from combining a relaxation equation for static structure with the equilibrium scaling laws of glassy dynamics. Different scaling regimes are predicted for the evolution of the structural relaxation time with age, depending on the depth of the quench.
PHYSICAL REVIEW LETTERS
(2022)
Article
Engineering, Mechanical
K. Tao, V. A. Khonik, J. C. Qiao
Summary: In this study, the effects of the structural energy states of Zr50Cu40Al10 metallic glass on its performance were investigated using depth-sensing nanoindentation. The shear transformation zone volume of the relaxed metallic glass is larger than that of as-cast one, while the strain rates sensitivity displays the opposite tendency. The plastic deformation in the creep stage of nanoindentation originates from the delayed plasticity inherited from the loading process. The creep depth shows strain rates and microstructural states dependence.
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
(2023)
Article
Materials Science, Ceramics
Justyna Sulowska, Piotr Jelen, Zbigniew Olejniczak, Magdalena Szumera
Summary: The study found that glasses from the SiO2-P2O5-K2O-MgO-SO3 system can contain various reduced forms of sulfur, with MAS NMR spectra indicating slight polymerization of the silico-oxygen and phospho-oxygen subnetworks.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2021)
Article
Materials Science, Multidisciplinary
J. Ding, L. Li, N. Wang, L. Tian, M. Asta, R. O. Ritchie, T. Egami
Summary: This study investigates the local structural evolutions in the beta relaxation process of metallic glasses through atomistic simulations, revealing universal melt-like features in the saddle states of the PEL. The short-lived local melting at the saddle point is found to wipe out prior thermal history, providing an explanation for the decoupling of activation and relaxation stages in the b process. These findings emphasize the importance of understanding the nature of saddle states in elucidating system dynamics and raise questions about the current view on system evolution in the PEL.
MATERIALS TODAY PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Weiming Yang, Xinfa Sun, Haishun Liu, Changfeng Yu, Wenyu Li, Akihisa Inoue, Daniel Sopu, Jurgen Eckert, Chunguang Tang
Summary: This study reveals a universal dependence of mechanical properties on simple structural parameters for metallic glasses, providing insights into the fundamentals of the mechanical properties of disordered systems.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2021)
Article
Chemistry, Physical
Indrajeet Mandal, Saswata Chakraborty, K. Jayanthi, Manasi Ghosh, Krishna K. Dey, K. Annapurna, Jayanta Mukhopadhyay, Abhijit Das Sharma, Amarnath R. Allu
Summary: The present study investigates the factors affecting sodium-ion dynamics in glass-based Na-ion conducting materials by correlating structure and conductivity properties. The results reveal that structural modifications, Na-ion concentration, and the interaction between sodium and neighboring cations all influence the Na-ion dynamics.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Materials Science, Multidisciplinary
K. K. Qiu, X. D. Wang, T. D. Xu, Q. . P. Cao, S. Q. Ding, D. X. Zhang, K. A. Beyer, J. Z. Jiang
Summary: The memory effect in metallic glasses is observed through differential scanning calorimetry and molecular dynamics simulations, indicating that it may originate from the structural rejuvenation and formation of more loose packing configurations during high temperature annealing. In contrast, the high-low temperature annealing only induces monotonic relaxation.
MATERIALS TODAY PHYSICS
(2022)
Article
Materials Science, Ceramics
Majid Samavatian, Reza Gholamipour, Dmitry Olegovich Bokov, Wanich Suksatan, Vahid Samavatian, Morteza Mahmoodan
Summary: In this study, a machine learning model was developed to predict the energy dissipation distribution on the surface of metallic glasses. It was found that high, low, and moderate energy regions exhibit different behavior patterns.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2022)
Article
Chemistry, Physical
Sung-Hee Hyun, Tae-Min Yeo, Hong-Min Ha, Jung-Wook Cho
Summary: The structure and behavior of mixed alkali aluminoborosilicate glasses were studied using solid-state MAS NMR and Raman spectroscopy. The correlation between Raman peaks and polymerization degree, as well as the relationship between MAS NMR results of network formers and the glass network changes, were revealed. The mixed alkali effect was observed to increase the charge compensation stability between network modifiers and network formers.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Materials Science, Multidisciplinary
Y. Tang, H. B. Xiao, X. D. Wang, Q. P. Cao, D. X. Zhang, J. Z. Jiang
Summary: The response of spatial heterogeneities in metallic glasses to thermal cycling was studied, showing significantly different structures and properties after the same treatments, which could be attributed to the joint contribution of relaxation and rejuvenation induced by thermal cycling. The study revealed the mechanisms of rejuvenation and relaxation in different metallic glasses and their eventual entry into a dynamic equilibrium state.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2021)
Article
Materials Science, Ceramics
Kai Gong, Elsa A. Olivetti
Summary: This study focused on the establishment of composition-structure-property relationships for amorphous materials, particularly natural glasses, through MD simulations. A novel structural descriptor, average metal-oxygen bond strength parameter, was introduced and found to have a strong predictive performance on dissolution rates. The MD-derived descriptors showed better predictive capabilities compared to traditional parameters like degree of depolymerization.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2022)
Article
Materials Science, Multidisciplinary
Tianding Xu, Xiao-Dong Wang, Eric M. Dufresne, Yang Ren, Qingping Cao, Dongxian Zhang, Jian-Zhong Jiang
Summary: The shape memory effect (SME) is found in annealed metallic glasses (MGs), where atoms can return to low-energy configurations through heating, extending the potential applications of MGs as functional materials.
Article
Engineering, Mechanical
Huaping Ding, Pan Gong, Wen Chen, Zhen Peng, Hengtong Bu, Mao Zhang, Xuefeng Tang, Junsong Jin, Lei Deng, Guoqiang Xie, Xinyun Wang, Ke-fu Yao, Jan Schroers
Summary: Structural applications of metallic glasses are limited by their brittleness and strain-softening. However, this study shows that by applying electric currents, the structural fluctuations of metallic glasses can be enhanced, leading to improvements in strength, plasticity, and strain hardening capacity. This is achieved through the introduction of more soft zones surrounded by hard zones, which promotes the growth and interaction of shear bands. The mechanism behind the electric current-induced dynamic evolution of amorphous clusters is proposed to involve interatomic electrostatic forces and charge transfer.
INTERNATIONAL JOURNAL OF PLASTICITY
(2023)
Article
Materials Science, Ceramics
Hyo-Im Kim, Seoyoung Lee, Eun Jeong Kim, Sung Keun Lee
Summary: The study reveals key structural information of lead-containing silicate glasses, confirming that lead primarily acts as a network modifier in these glasses. There is significant chemical ordering in glasses with different lead content, while cation mixing and structural disorder play important roles in influencing the atomic environments around oxygen.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2021)
Article
Materials Science, Ceramics
Guglielmo Macrelli, Arun K. Varshneya, John C. Mauro
Summary: This study investigates the effects of post-ion exchange thermal treatment on the concentration profile, residual stress, and final strength of ion-exchanged glass. A new general solution of the diffusion problem is presented, and results indicate that thermal treatment may have detrimental consequences on the strength of the glass.
INTERNATIONAL JOURNAL OF APPLIED GLASS SCIENCE
(2023)
Editorial Material
Materials Science, Ceramics
John C. Mauro
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Materials Science, Multidisciplinary
Longwen Tang, Morten M. Smedskjaer, Mathieu Bauchy
Summary: Based on molecular dynamics simulations, we investigate the relationship between the ductile-to-brittle transition of oxide glasses and the connectivity of the atomic network. We find that the transition is caused by the percolation of stressed-rigid atomic clusters. Additionally, our analysis shows the plastic dynamics of oxide glasses are similar to that of supercooled liquids, exhibiting strong correlations and spatial heterogeneity.
Article
Chemistry, Physical
Zhimin Chen, Tao Du, Soren S. Sorensen, Rasmus Christensen, Qi Zhang, Lars R. Jensen, Oxana V. Magdysyuk, Maria Diaz-Lopez, Mathieu Bauchy, Yuanzheng Yue, Morten M. Smedskjaer
Summary: This study investigates the structural origins and property variations of lithium borophosphate glass electrolytes using experimental and simulation techniques. The research finds that the fracture toughness and ionic conductivity of the electrolytes are influenced by boron bonding and the lithium-ion migration is affected by medium-range order structure.
JOURNAL OF POWER SOURCES
(2023)
Article
Materials Science, Ceramics
Collin J. Wilkinson, Anthony V. DeCeanne, Marc Dittmer, Christian Ritzberger, Markus Rampf, John C. Mauro
Summary: Predicting the effects of ceramic microstructures on macroscopic properties, such as Knoop hardness, has been challenging, especially in glass-ceramics with overlapping crystalline and glassy phases. To address this, two computational techniques, computer vision algorithm and machine learning with convolutional neural networks, were employed to predict Knoop hardness based on scanning electron microscopy images. The computer vision algorithm provides physical insights by extracting features from images, while the machine learning method allows for more accurate predictions but lacks transparency. The relative merits of the models are discussed.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Soren S. Sorensen, Xiangting Ren, Tao Du, Ayoub Traverson, Shibo Xi, Lars R. Jensen, Mathieu Bauchy, Satoshi Horike, John Wang, Morten M. Smedskjaer
Summary: This work demonstrates that water can depolymerize polyhedra with labile metal-ligand bonds in a cobalt-based coordination network, resulting in nonstoichiometric glasses. The addition of water molecules promotes the breakage of network bonds and coordination number changes, thereby lowering melting and glass transition temperatures. These structural changes alter the physical and chemical properties of the glass, similar to the concept of modifiers in oxides. This approach can be extended to other transition metal-based coordination networks, enabling diversification of hybrid glass chemistry.
Article
Materials Science, Ceramics
Johan F. S. Christensen, N. M. Anoop Krishnan, Mathieu Bauchy, Morten M. Smedskjaer
Summary: In this study, the effects of indenter sharpness and stiffness on the indentation response of oxide glasses were investigated. The study examined the glass deformation mechanism, cracking behavior, and hardness for three different glasses using five different indenters. The results showed that increased indenter sharpness reduced the indentation size effect and lowered crack initiation resistance, while the effect of indenter material was insignificant when the indenter was stiffer than the specimen.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Materials Science, Ceramics
Aubrey L. Fry, Andrew L. Ogrinc, Seong H. Kim, John C. Mauro
Summary: This study investigates the effect of modifier field strength (FS) on the elastic-plastic responses of aluminoborosilicate (ABS) glasses. Six different network modifier compositions were created to cover a range of cation FS. The results show that the modifier FS has a significant impact on the mechanical and physical properties of ABS glasses, including elastic moduli, Poisson's ratio, indentation size effect, and bow-in parameter.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Materials Science, Ceramics
Aubrey L. Fry, Andrew L. Ogrinc, Seong H. Kim, John C. Mauro
Summary: The field strength effect of different network modifiers on the elastoplastic properties of aluminoborosilicate glasses was investigated through a volumetric recovery study. This research, along with Part I, examined the relationship between hardness, crack resistance, and other physical properties with glass elasticity. The results showed that the elastic volume fraction decreased with field strength for both alkali and alkaline earth glasses. The Poisson's ratio did not exhibit a trend with pile-up or shear flow volume fraction. The elastic-to-plastic deformation ratio increased with applied load and decreased with modifier field strength for both alkali and alkaline earth glasses, and an increase in plasticity correlated with increased hardness, crack resistance, and elastic moduli.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Materials Science, Multidisciplinary
Rebecca S. Welch, Edgar D. Zanotto, Collin J. Wilkinson, Daniel R. Cassar, Maziar Montazerian, John C. Mauro
Summary: The Kauzmann paradox and the Kauzmann temperature have been widely debated topics in the field of glass science for the past eighty years. This review provides a retrospective on the origin of these hypotheses and their study through energy landscapes, crystallization behavior, and viscosity models. After nearly eighty years of research, there is no conclusive evidence that supports the concepts proposed by Kauzmann, suggesting that future work should be focused elsewhere.
Article
Engineering, Environmental
Hang Zhai, Qiyuan Chen, Mehmet Yilmaz, Bu Wang
Summary: This study evaluated the effect of pretreatments under different pH conditions on aqueous carbonation of alkaline earth silicate minerals. It found that NaOH pretreatment significantly enhanced carbonation, especially when followed by the removal of dissolved silica prior to carbonation. Basification offers a more promising route to accelerate aqueous carbonation without the need for costly pH swing and high-concentration/pressurized CO2.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Article
Chemistry, Applied
Qitong Liu, Payam Hosseini, Raghavendra Ragipani, Bu Wang
Summary: This study investigated the surface coating of calcite particles using silica nanoparticles in a CO2 environment. The results indicate that the coating performance can be controlled by altering the electrostatic attraction between calcite and nano-SiO2. It was found that introducing calcium salt into the aqueous solution can achieve similar coating performance under lower CO2 partial pressures.
JOURNAL OF COATINGS TECHNOLOGY AND RESEARCH
(2023)
Article
Materials Science, Multidisciplinary
Qi Zhang, Rasmus Christensen, Mikkel L. Bodker, Tao Du, Theany To, Francisco Munoz, Mathieu Bauchy, Morten M. Smedskjaer
Summary: The relationship between the microstructure, mechanical properties, and transparency of Na2O-P2O5-SiO2 glass-ceramics was investigated. The mechanical properties were determined by the crystal type, content, size, and remaining glass-matrix structure. Changes in crystallization behavior and crystal size had opposite effects on crack resistance and fracture toughness. The glass-ceramic samples exhibited high transmittance and a maximum fracture toughness of 1.1MPam(0.5).
PHYSICAL REVIEW MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Yongbao Xiao, Tao Du, Soren S. Sorensen, Zhimin Chen, Christophe A. N. Biscio, Lisbeth Fajstrup, Mathieu Bauchy, Morten M. Smedskjaer
Summary: The medium-range order (MRO) structure of zinc phosphate glasses is studied using persistent homology (PH) method, and the contributions of different ring structures to the structure factor are decomposed.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Han Liu, Zijie Huang, Samuel S. Schoenholz, Ekin D. Cubuk, Morten M. Smedskjaer, Yizhou Sun, Wei Wang, Mathieu Bauchy
Summary: Based on graph neural network (GNN), an observation-based graph network (OGN) framework is introduced to simulate complex glass dynamics solely from their static structure, bypassing all physics laws. By applying OGN to molecular dynamics (MD) simulations, successful prediction of atom trajectories evolving up to a few hundred timesteps is achieved, implying that atom dynamics in disordered phases is largely encoded in their static structure, and exploring the potential generality of OGN simulations for many-body dynamics.
MATERIALS HORIZONS
(2023)