Article
Materials Science, Ceramics
Peng Lv, Zhao Sun, Fugang Wang, Yang Yu, Fan Yang, Shengjun Yue, Mattias Eden, Liang Chen, Tieshan Wang
Summary: In this study, the impact of the glass network-modifier cation field strength on ion irradiation-induced mechanical property changes in borosilicate glasses was examined. It was found that the proportion of four-coordinated boron (B-[4]) species and B-[4]-O-Si linkages in the glass network correlated linearly with the field strength of the modifying cations. The level of irradiation damage also increased linearly with the fraction of B-[4]-O-Si linkages. These findings highlight the potential of using borosilicate glasses with high-field strength cations to enhance radiation resistance.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Nanoscience & Nanotechnology
Nicholas Stone-Weiss, Henrik Bradtmueller, Hellmut Eckert, Ashutosh Goel
Summary: The research interest in borate/borosilicate-based bioactive glasses has increased due to their fast degradation kinetics and bioactivity, but the complexity of their structures and the dependence of degradation behavior on composition/structure pose challenges in the development of these glasses for specific soft tissue regeneration applications.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Materials Science, Ceramics
Minseong Hwang, Jaeyeop Chung
Summary: The effect of P2O5 as an additive in promoting phase separation and distribution of phosphorus in sodium borosilicate glass was explored. The addition of P2O5 induced phase separation and changed the mechanism of phase separation. Phosphorus was incorporated into borate-rich phase, forming borophosphate units, while the fraction of [BO4] units decreased with increasing P2O5 concentration.
JOURNAL OF THE KOREAN CERAMIC SOCIETY
(2023)
Article
Materials Science, Multidisciplinary
Sathya Narayanasamy, Patrick Jollivet, Christophe Jegou, Melanie Moskura, Abdesselam Abdelouas, Thibault Charpentier, Frederic Angeli
Summary: A study was conducted on the alteration of a Na-alumino-borosilicate glass and its Ca-doped counterpart in vapor phase and aqueous medium. The results showed differences in alteration kinetics, behavior of elements, and gel layer structure between the two alteration media, and provided insights into the mechanisms of glass alteration in these media.
NPJ MATERIALS DEGRADATION
(2022)
Article
Chemistry, Physical
Youngkyu Park, Mark E. Davis
Summary: Chemical shifts from the 11B nuclear magnetic resonance (NMR) spectra of crystalline borosilicate minerals with tetrahedrally coordinated boron atoms (B) correlate linearly with the local geometric parameters related to B-O-T angles obtained from single-crystal X-ray diffraction. These correlations are similar to the well-known correlations of 29Si and 27Al NMR chemical shifts with structural features of silicates and aluminosilicates, respectively. The use of 11B NMR chemical shifts can provide insights into the local geometry of tetrahedrally coordinated B and help establish B ordering in crystalline borosilicates.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Materials Science, Ceramics
Z. J. Wang, Y. Z. Jiang, Z. Sun, Y. J. Zhao, W. M. Deng, P. Lv, Y. H. Jia, L. M. Zhang, T. S. Wang, L. Chen
Summary: This study investigates the mechanical property and microstructure changes induced by He-ion irradiation in electron pre-irradiated glasses. Damage promotion is observed in NBS1 and NBS2 specimens, while a recovery effect is observed in NBS3 glass. The changes in hardness and modulus are correlated with microstructure evolution.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2022)
Article
Materials Science, Ceramics
Z. J. Wang, Y. D. Guan, Y. Z. Jiang, P. Lv, Z. Sun, L. M. Wang, S. Zhang, L. M. Zhang, T. S. Wang, L. Chen
Summary: This study investigates the mechanical property changes in Na2O-B2O3-SiO2 glasses with different compositions before and after irradiation with He ions. The results show that the hardness decreases and reaches saturation after irradiation, while the modulus only shows a slight decrease. The effect of irradiation varies with the composition of the glasses. Additionally, sequential irradiation with He ions can lead to damage recovery in glasses pre-irradiated with Au ions.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2022)
Article
Materials Science, Multidisciplinary
Jae -Young Pyo, Wooyong Um, Jong Heo
Summary: This study investigated the effects of adding MnO and ZnO to a fabricated nuclear waste glass on the crystallization of molybdates and structure of the glass. The results confirmed that the addition of MnO and ZnO increased the solubility of Mo in the glass and inhibited the formation of alkali molybdate crystals. The addition of MnO further improved the solubility of Mo. These findings are important for enhancing the chemical durability of the glass.
JOURNAL OF NUCLEAR MATERIALS
(2023)
Article
Chemistry, Physical
Pooja Sahu, Sk. Musharaf Ali, K. T. Shenoy, Sadhana Mohan, A. Arvind, G. Sugilal, C. P. Kaushik
Summary: The research investigates the effects of composition variations on the structure and properties of borosilicate glasses, using a combination of experiments, molecular dynamics simulations, and modeling. The study shows a good agreement between experimental results and MD simulations, indicating the relationship between mechanical properties and chemical composition of borosilicate glasses. The research also reveals the trend of Na+ mobility in NBS glasses changing with composition.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Physics, Applied
Kazuki Mitsui, Keita Suzuki, Akira Saitoh
Summary: The relationship between optical properties and structures of 5s(2)-type cations such as Sn2+- and Sb3+-containing borate and borosilicate glass was examined. It was found that a weak ligand field around a Sn2+ close to tetrahedral borate unit could lead to a blueshift of optical bandgap, keeping small photoelastic constant and high refractive index.
JAPANESE JOURNAL OF APPLIED PHYSICS
(2022)
Article
Chemistry, Physical
Rajan Saini, Saurabh Kapoor, Daniel R. Neuville, Randall E. Youngman, Bianca M. Cerrutti, John S. McCloy, Hellmut Eckert, Ashutosh Goel
Summary: This study focuses on the relationship between the solubility of sulfur (as SO3) and the structure of Na2O-B2O3-SiO2 glasses. The research found an inverse correlation between the sulfur solubility and the degree of network polymerization in the glasses. While the modification of SO3 can compete with depolymerization mechanisms, the conversion of BO3 to BO4 induced by alkali cations is dominant. These findings have important implications for understanding the control of sulfur solubility in borosilicate-based nuclear waste glasses.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Materials Science, Ceramics
Jiuzhi Cui, Xin-Yuan Sun, Yufeng Wen, Chenxi Zhang, Runchuan Chen, Miaochun Wu, Meidong Yu, Chaoyuan Li, Zhuohao Xiao, Jing Wang
Summary: In this study, the emission peak of europium (Eu) ions in borosilicate glasses is tuned by adjusting the SiO2 to B2O3 ratio and the concentration of Eu ion dopants. It is observed that the emission peak can be redshifted by increasing the content of SiO2 or by introducing Eu2O3. Cyan emission is achieved by altering the [SiO4] tetrahedra, [BO4] tetrahedra, and [BO3] triangles within the glass. The results highlight the relationship between glass network structure, Eu ion concentration, and visible light emission.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Materials Science, Ceramics
Kemian Qin, Xiaoyang Zhang, Kai Bai, Zhaoxuan Jin, Buyun Zhang, Yuchuan Wang, Peng Lv, Ahsan Ejaz, Haiqiang Zhou, Tieshan Wang, Haibo Peng
Summary: This study examined the correlation between the corrosion mechanism and glass composition by comparing the leaching properties of irradiated sodium-borosilicate (NBS) glasses with varying K values. It was found that heavy ion irradiation accelerated the initial Si dissolution rate and there was a strong correlation between the initial dissolution rates and the K value and proportion of Na. The study concluded that the variation trend in the initial dissolution rate of Si and Na differs under ion radiation.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Materials Science, Ceramics
Chengyue Li, Qinghui Xiao, Yang Fu, Yunhao Liang, Chuanlong Liu, Yijun Zhuang, Libin Xia
Summary: Eu2+-doped SiO2-SrO-B2O3 glasses exhibit broad luminescence band with 0.4 mol% Eu2+ being the optimum doping concentration. The absorption and emission spectra show redshift with increasing Eu2+ concentration, while concentration quenching occurs due to electric dipole-dipole interaction. The luminescence intensity decreases with increasing temperature and the chromaticity shift is lower than Eu2+-doped commercial phosphors.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2021)
Article
Materials Science, Ceramics
Marco Bertani, Annalisa Pallini, Marina Cocchi, Maria Cristina Menziani, Alfonso Pedone
Summary: A new self-consistent empirical potential model has been developed for simulating multicomponent borate and borosilicate glasses. The model utilizes a Bayesian optimization approach to determine parameters related to the B-O interaction based on glass composition. The obtained force field is capable of reproducing various properties and shows excellent agreement with experimental data.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2022)
Article
Chemistry, Physical
Ozlen F. Yasar, Wei-Chih Liao, Baltzar Stevensson, Mattias Eden
Summary: The study investigated the local structures of amorphous calcium phosphate (ACP) phases with increasing carbonate contents using multinuclear H-1, C-13, Na-23, and P-31 solid-state nuclear magnetic resonance (NMR) experiments along with infrared (IR) spectroscopy. A model for carbonate incorporation into ACP was proposed, revealing the distribution of carbonate species in ACP regardless of the carbonate content. The research provided insights into the composition and spatial distribution of carbonate ions within the ACP structure.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Multidisciplinary
Yedong Guan, Peng Lv, Zuojiang Wang, Yuzhe Jiang, Zhao Sun, Limin Wang, Bingtao Zhang, Limin Zhang, Liang Chen, Tieshan Wang
Summary: The study investigates the irradiation effects on borosilicate glass through nanoindentation measurements, revealing a significant correlation between hardness reduction and ions. The recovery of hardness is mainly attributed to electronic energy deposition induced by ion irradiation.
APPLIED SCIENCES-BASEL
(2021)
Article
Materials Science, Ceramics
Z. J. Wang, Y. D. Guan, Y. Z. Jiang, P. Lv, Z. Sun, L. M. Wang, S. Zhang, L. M. Zhang, T. S. Wang, L. Chen
Summary: This study investigates the mechanical property changes in Na2O-B2O3-SiO2 glasses with different compositions before and after irradiation with He ions. The results show that the hardness decreases and reaches saturation after irradiation, while the modulus only shows a slight decrease. The effect of irradiation varies with the composition of the glasses. Additionally, sequential irradiation with He ions can lead to damage recovery in glasses pre-irradiated with Au ions.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2022)
Article
Chemistry, Physical
Renny Mathew, Baltzar Stevensson, Michael Pujari-Palmer, Christopher S. Wood, Phillip R. . A. . Chivers, Christopher D. Spicer, Helene Autefage, Molly M. Stevens, Hakan Engqvist, Mattias Eden
Summary: Interactions between biomolecules and structurally disordered calcium phosphate (CaP) surfaces are crucial for bone mineralization, milk complex organization, and biomaterial structure-function relationships. The study reveals that these interactions are driven by electrostatic interactions and hydrogen bonding.
CHEMISTRY OF MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Zhao Sun, Peng Lv, Zuojiang Wang, Yuzhe Jiang, Yejun Zhao, Wenmin Deng, Shuo Zhang, Limin Zhang, Tieshan Wang, Liang Chen
Summary: The co-doping effects of gadolinium and cerium in zirconolite glass-ceramics were systematically investigated. The results showed that gadolinium could be well incorporated in cerium-bearing zirconolite particles and its doping concentration affected the structure of zirconolite. Furthermore, the doping of gadolinium also influenced the redox state of cerium.
JOURNAL OF NUCLEAR MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Stefan Karlsson, Renny Mathew, Sharafat Ali, Mart Paemurru, Johan Anton, Baltzar Stevensson, Mattias Eden
Summary: In this study, the thermal, mechanical, and structural properties of soda-lime-silicate glasses were investigated before and after K+-for-Na+ ion-exchange strengthening. The increase in Al2O3 content resulted in increased glass network polymerization and decreased compactness. The pristine glasses showed an increase in T(g), H, and E(r) with increasing Al2O3 content, while the chemically strengthened glasses exhibited a linear dependence. Solid-state NMR revealed the presence of AlO4 groups in both types of glasses. The CS glasses had lower K+-for-Na+ ion exchange ratio compared to the soda-lime-silicate glass. Differential thermal analysis of CS glasses showed a blurred T(g) and an exothermic step below T(g). The hardness of the CS glasses at low loads and n(M O-(2))/n(Al2O3) & AP; 1 suggested increased elastic energy recovery and glass compactness.
FRONTIERS IN MATERIALS
(2022)
Article
Materials Science, Ceramics
Zhao Sun, Peng Lv, Jiandong Zhang, Jiangtao Zhao, Wenmin Deng, Yejun Zhao, Yutian Cao, Yanhui Jia, Shuyao Si, Limin Zhang, Tieshan Wang, Liang Chen
Summary: In this study, the radiation resistance of zirconolite glass-ceramic as a first barrier for high-level waste (HLW) was evaluated. The effects of 15 MeV Si-ion irradiation on the morphology and chemical composition of Ce-bearing zirconolite glass-ceramic were investigated. The results showed that the glass matrix swelled, the zirconolite phase underwent amorphization and shape change, and the chemical compositions of both zirconolite and glass matrix were altered, with more Ce being incorporated into the glass. These findings, combined with thermal-spike model calculations, suggested that electronic energy deposition played a dominant role in the evolution of both morphology and chemical composition of the ion irradiated zirconolite glass-ceramic. These results are crucial for understanding the microstructural evolution of zirconolite glass-ceramic in a high radiation environment.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2023)
Article
Materials Science, Ceramics
Fan Yang, Shikun Zhu, Xu Chen, Jiangjiang Mao, Peng Lv, Haibo Peng, Tieshan Wang
Summary: This study fabricated a series of sodium borosilicate glasses doped with cesium and simulated the nuclear transmutation effects due to beta decay by substituting for cesium with barium. The results showed that the substitution of barium for cesium increased the density, hardness, and modulus of the glasses, and changes were observed in the infrared spectra and NMR spectra. The comparison with previous strontium-doping work demonstrated that the nuclear transmutation effect of cesium is completely opposite to that of strontium.
INTERNATIONAL JOURNAL OF APPLIED GLASS SCIENCE
(2023)
Article
Materials Science, Ceramics
Peng Lv, Zhao Sun, Fugang Wang, Yang Yu, Fan Yang, Shengjun Yue, Mattias Eden, Liang Chen, Tieshan Wang
Summary: In this study, the impact of the glass network-modifier cation field strength on ion irradiation-induced mechanical property changes in borosilicate glasses was examined. It was found that the proportion of four-coordinated boron (B-[4]) species and B-[4]-O-Si linkages in the glass network correlated linearly with the field strength of the modifying cations. The level of irradiation damage also increased linearly with the fraction of B-[4]-O-Si linkages. These findings highlight the potential of using borosilicate glasses with high-field strength cations to enhance radiation resistance.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Chemistry, Physical
Peng Lv, Baltzar Stevensson, Yang Yu, Tieshan Wang, Mattias Eden
Summary: This study examines the intermixing of borate groups in borosilicate glasses. It is found that the formation of B-[4]-O-B-[4] linkages depends on the populations of BO4 groups and the nonbridging oxygen content of the glass. The population of B-[4]-O-B-[4] linkages can be predicted using routine B-11 NMR measurements. The propensity for forming B-[4]-O-B-[4] linkages increases with the cation field strength and the amount of glass network modifiers.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Materials Science, Ceramics
Kemian Qin, Xiaoyang Zhang, Kai Bai, Zhaoxuan Jin, Buyun Zhang, Yuchuan Wang, Peng Lv, Ahsan Ejaz, Haiqiang Zhou, Tieshan Wang, Haibo Peng
Summary: This study examined the correlation between the corrosion mechanism and glass composition by comparing the leaching properties of irradiated sodium-borosilicate (NBS) glasses with varying K values. It was found that heavy ion irradiation accelerated the initial Si dissolution rate and there was a strong correlation between the initial dissolution rates and the K value and proportion of Na. The study concluded that the variation trend in the initial dissolution rate of Si and Na differs under ion radiation.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Chemistry, Physical
Baltzar Stevensson, Mattias Eden
Summary: In molecular dynamics simulations, reweighting is essential for recovering the unbiased system's ensemble averages. We present enhanced reweighting protocols for variational enhanced sampling (VES) simulations, using a recent reweighting method originally introduced in the metadynamics framework. These protocols can be implemented with either independent walkers or cooperative walkers.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Materials Science, Ceramics
W. M. Deng, Y. J. Zhao, Y. T. Cao, P. Lv, S. Zhang, J. T. Zhao, L. M. Zhang, T. S. Wang, L. Chen
Summary: This study investigates the impact of ion irradiation on the microstructural and mechanical properties of borosilicate glass. It shows that the hardness and modulus of the glass decrease under H-ion irradiation and reach saturation under Au and He ion-irradiation scenarios. Sequential ion irradiation can either facilitate damage recovery or promote damage, depending on the pre-irradiation ions. The mechanical property change aligns with the surface morphology evolution, and the boron structure of the glass plays a crucial role.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)