Journal of Non-crystalline Solids最新文献

A two-step ion-exchange process for modified mechanical reinforcement and virucidal functionalization of glasses 改性玻璃机械增强和病毒功能化的两步离子交换工艺

IF 3.5 3区材料科学

Journal of Non-crystalline Solids Pub Date : 2025-10-11 DOI: 10.1016/j.jnoncrysol.2025.123805

Damandeep Kaur , Vincenzo M. Sglavo , Massimo Pizzato , Cinzia Bertelli

引用次数: 0

Coordination evolution and stability of Al3+ in Al2O3-rich melts: Modulated by alkaline oxide type (M=Ca, Mg, Fe) and MO/Al2O3 ratio 富Al2O3熔体中Al3+的配位演化与稳定性：由碱性氧化物类型（M=Ca, Mg, Fe）和MO/Al2O3比例调节

IF 3.5 3区材料科学

Journal of Non-crystalline Solids Pub Date : 2025-10-11 DOI: 10.1016/j.jnoncrysol.2025.123808

Hanghang Zhou, Jia Guo, Shuo Zhang, Yong Hou, Xuewei Lv

{"title":"Coordination evolution and stability of Al3+ in Al2O3-rich melts: Modulated by alkaline oxide type (M=Ca, Mg, Fe) and MO/Al2O3 ratio","authors":"Hanghang Zhou, Jia Guo, Shuo Zhang, Yong Hou, Xuewei Lv","doi":"10.1016/j.jnoncrysol.2025.123808","DOIUrl":"10.1016/j.jnoncrysol.2025.123808","url":null,"abstract":"<div><div>As an amphoteric oxide, the structural behavior of Al<sub>2</sub>O<sub>3</sub> in aluminosilicate melts is complex. Current understanding of the coordination structure of Al<sup>3+</sup> in different alkaline oxide environments remains limited. This study employed molecular dynamics simulations to investigate the coordination structure and stability of Al<sup>3+</sup> in MO-SiO<sub>2</sub>-Al<sub>2</sub>O<sub>3</sub> melts with different alkaline oxide types (CaO, MgO, FeO) and concentrations (MO/Al<sub>2</sub>O<sub>3</sub>=0.25–3). The results indicate that different alkaline oxides exhibit varying capabilities in achieving charge compensation balance for Al<sup>3+</sup>: CaO/Al<sub>2</sub>O<sub>3</sub>=0.5 for Ca<sup>2+</sup> and FeO/Al<sub>2</sub>O<sub>3</sub>=1.0 for Fe<sup>2+</sup>, whereas Mg<sup>2+</sup> cannot achieve charge balance even at MgO/Al<sub>2</sub>O<sub>3</sub> ratio exceeding 3.0. Kinetic lifetime analysis reveals that only tetrahedrally coordinated [SiO<sub>4</sub>] and [AlO<sub>4</sub>] exhibits significant structural persistence. Oxygen linkage analysis shows that Si-O-Si structures possess the highest persistence, substantially exceeding Si-O-Al and Al-O-Al structures. These results fundamentally elucidate the structural behavior of Al<sup>3+</sup> in different alkaline environments and their implications for regulating the properties of high-Al<sub>2</sub>O<sub>3</sub> aluminosilicate melts.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"669 ","pages":"Article 123808"},"PeriodicalIF":3.5,"publicationDate":"2025-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145270690","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Determination of critical nucleus radius in oxyfluoride glass via molecular dynamics simulations 通过分子动力学模拟确定氟化氧玻璃临界核半径

IF 3.5 3区材料科学

Journal of Non-crystalline Solids Pub Date : 2025-10-10 DOI: 10.1016/j.jnoncrysol.2025.123807

Kenji Shinozaki , Masahiro Shimizu

{"title":"Determination of critical nucleus radius in oxyfluoride glass via molecular dynamics simulations","authors":"Kenji Shinozaki , Masahiro Shimizu","doi":"10.1016/j.jnoncrysol.2025.123807","DOIUrl":"10.1016/j.jnoncrysol.2025.123807","url":null,"abstract":"<div><div>The critical nucleus radius is a fundamental parameter for understanding nucleation kinetics and crystallization behavior. However, in glass-forming oxides, direct observation of nucleation from melts or the growth of nuclei near the critical radius using the seeding approach has not been achieved in molecular dynamics (MD) simulations. In this study, we investigated BaF₂–ZnO–B₂O₃ glass, which exhibits an ultrafast nucleation rate. BaF₂ crystalline nuclei of varying radii were embedded within the glass composition, and their stability was monitored at different temperatures by determining whether they grew or dissolved. A linear relationship between temperature and the critical radius was observed, enabling the calculation of interfacial energy using the classical Gibbs approach. The interfacial energy was determined to be <em>γ</em> = 0.144 J/m<sup>2</sup>, and the critical radius was evaluated to be <em>r</em>* = 0.48 nm at the crystallization onset temperature (823 K). The relatively low interfacial energy, comparable to metals but much lower than oxide glasses, is attributed to the structural affinity between fluoride-rich domains in the glass and the BaF<sub>2</sub> crystalline phase. This study demonstrates the applicability of the seeding approach to oxide-based glassy systems and provides one of the first direct computational validations of the critical radius in glasses.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"669 ","pages":"Article 123807"},"PeriodicalIF":3.5,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145270696","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Network densification and surface protection: The key role of ZrO2 in enhancing the alkali resistance of pharmaceutical glass 网络致密化和表面保护：ZrO2在提高药用玻璃耐碱性中的关键作用

IF 3.5 3区材料科学

Journal of Non-crystalline Solids Pub Date : 2025-10-10 DOI: 10.1016/j.jnoncrysol.2025.123809

Hongwei Guo , Nantian Zhu , Dong Nie , Mi Liu , Relva C. Buchanan

{"title":"Network densification and surface protection: The key role of ZrO2 in enhancing the alkali resistance of pharmaceutical glass","authors":"Hongwei Guo , Nantian Zhu , Dong Nie , Mi Liu , Relva C. Buchanan","doi":"10.1016/j.jnoncrysol.2025.123809","DOIUrl":"10.1016/j.jnoncrysol.2025.123809","url":null,"abstract":"<div><div>As the demand for high-pH pharmaceuticals surges, the corrosion of glass containers by highly alkaline drug solutions poses a threat to drug safety. High alkali resistance of pharmaceutical glass is crucial for ensuring the stability of alkaline drugs.</div><div>In this investigation, the Na<sub>2</sub>O-ZrO<sub>2</sub>-SiO<sub>2</sub> glass system was taken as the research object, and a comprehensive exploration was carried out on the mechanism by which ZrO<sub>2</sub> enhances the glass's resistance to highly alkaline environments by means of techniques such as FTIR, EDS, and ICP-OES. The results indicate that the glass exhibits the best chemical stability when the ZrO<sub>2</sub> content is 16.8 wt.%. Zr<sup>4+</sup> incorporates into the silicate network, forming Si-O-Zr bonds, which densify the network structure and enhance the stability of the glass's internal structure. After erosion by strong alkalis, Zr elements accumulate on the glass surface, forming a dense ZrO<sub>2</sub>-rich layer. This layer acts as an effective barrier, impeding the penetration of alkaline solutions and providing robust surface protection. The activation energy for corrosion of ZrO<sub>2</sub> (37.08 kJ/mol) is significantly higher than that of SiO<sub>2</sub>, thereby reducing the corrosion rate of the glass. This study provides a theoretical basis for the design of high-performance pharmaceutical glass.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"669 ","pages":"Article 123809"},"PeriodicalIF":3.5,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145270691","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Cross-scale investigation into the regulation of basalt melt structure evolution and fiber forming performance via Y2O3 doping Y2O3掺杂对玄武岩熔体结构演化和纤维形成性能调控的跨尺度研究

IF 3.5 3区材料科学

Journal of Non-crystalline Solids Pub Date : 2025-10-10 DOI: 10.1016/j.jnoncrysol.2025.123776

Xin Liu , Xinjian Sun , Lei Xie , Qinghai Wang , Peiyi Wang , Jiang Li , Shihuang Qiu , Shuochang Xu

{"title":"Cross-scale investigation into the regulation of basalt melt structure evolution and fiber forming performance via Y2O3 doping","authors":"Xin Liu , Xinjian Sun , Lei Xie , Qinghai Wang , Peiyi Wang , Jiang Li , Shihuang Qiu , Shuochang Xu","doi":"10.1016/j.jnoncrysol.2025.123776","DOIUrl":"10.1016/j.jnoncrysol.2025.123776","url":null,"abstract":"<div><div>This study integrated multi-scale characterization techniques with molecular dynamics simulations to systematically investigate the regulatory mechanism by which Y<sub>2</sub>O<sub>3</sub> doping influences the structural evolution of basalt melt and its fiber formability. The stability of the melt structure was optimized by adjusting the addition amount of Y<sub>2</sub>O<sub>3</sub>. The results show that Y<sub>2</sub>O<sub>3</sub> with a dosage of 1 wt% significantly reduces the liquid phase temperature of the system, enhances the uniformity of the melt, and lowers the brittleness index. The spinnable temperature range is broadened, with the maximum spinnable temperature reaching a range of 80 °C. The fiber exhibits an average diameter of 10.41 μm and a tensile strength of up to 2099 MPa. Fourier infrared spectroscopy (FTIR) analysis reveals that the degree of polymerization of the glass network initially increases and subsequently decreases with increasing Y<sub>2</sub>O<sub>3</sub> content. X-ray photoelectron spectrometer (XPS) results confirm that Y<sup>3+</sup> repairs structural defects in the melt through the formation of Y-O-Si bonds. Molecular dynamics simulations further reveal that the doping concentration of Y<sup>3+</sup> induces dynamic coordination reconstruction of aluminum-oxygen polyhedra. The incorporation of a small amount of Y<sup>3+</sup> promotes the transformation of Al from [AlO<sub>6</sub>] to [AlO<sub>4</sub>] coordination, thereby increasing the BO content and strengthening the melt network structure. This finding provides a theoretical foundation for expanding the drawing temperature window in basalt fiber preparation and improving the fiber's tensile strength.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"669 ","pages":"Article 123776"},"PeriodicalIF":3.5,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145270693","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Phase evolution and silicate network dynamics of coal-derived inorganic slags during high-temperature melting: A multiscale experimental and molecular dynamics investigation 高温熔融过程中煤系无机炉渣的相演化和硅酸盐网络动力学：多尺度实验和分子动力学研究

IF 3.5 3区材料科学

Journal of Non-crystalline Solids Pub Date : 2025-10-10 DOI: 10.1016/j.jnoncrysol.2025.123810

Yujie Hu , Wei Li , Shaobo Yang , Shaobo Han , Ruifang Cui , Chi Zhang , Longfei Gao , Qiangqiang Ren

{"title":"Phase evolution and silicate network dynamics of coal-derived inorganic slags during high-temperature melting: A multiscale experimental and molecular dynamics investigation","authors":"Yujie Hu , Wei Li , Shaobo Yang , Shaobo Han , Ruifang Cui , Chi Zhang , Longfei Gao , Qiangqiang Ren","doi":"10.1016/j.jnoncrysol.2025.123810","DOIUrl":"10.1016/j.jnoncrysol.2025.123810","url":null,"abstract":"<div><div>This study investigates the phase evolution and silicate network dynamics of coal-derived inorganic slags under high-temperature melting (1300–1400 °C), combining multiscale experimental characterization with molecular dynamics (MD) simulations. Two representative materials—Shenmu coal (SM) and Beishan coal (BS)—were analyzed to elucidate crystallization-amorphous transformation pathways and their environmental implications. Quantitative analyses revealed: X-ray diffraction (XRD), nuclear magnetic resonance (NMR), and X-ray photoelectron spectroscopy (XPS) confirmed calcium aluminosilicate-dominated microstructures, with >87 % vitreous phase content and 55–62 % heavy metal immobilization efficiency. Molecular dynamics simulations quantified cation diffusion coefficients (Ca²⁺: ∼1.7 × 10⁻⁹ m²/<em>s</em> > Fe<sup>2</sup>⁺: ∼9.0 × 10⁻¹⁰ m²/<em>s</em> > <em>O</em>²⁻: ∼7.5 × 10⁻¹⁰ m²/<em>s</em> > Al³⁺: ∼5.0 × 10⁻¹⁰ m²/<em>s</em> > Si⁴⁺: ∼3.0 × 10⁻¹⁰ m²/s), demonstrating the critical role of [SiO₄]⁴⁻ tetrahedral polymerization in governing slag fluidity. The developed SiO₂-Al₂O₃-CaO-FeO quaternary MD model bridged molecular-scale dynamics (Qⁿ distribution, >90 % bridged oxygen content) with macroscopic properties The results revealed that SM has a high degree of polymerization (<em>R</em> = 20.19) and requires further pretreatment to be used as a raw material for the preparation of geopolymers. Compared with BS molten slag, it is more suitable as a raw material for resource utilization due to its low degree of polymerization (<em>R</em> = 7.46) and high vitreous phase content of 100 %.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"669 ","pages":"Article 123810"},"PeriodicalIF":3.5,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145270692","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Dissolution behavior of Ag-doped antibacterial borosilicate glass powders blended into polypropylene 掺银抗菌硼硅酸盐玻璃粉在聚丙烯中的溶解行为

IF 3.5 3区材料科学

Journal of Non-crystalline Solids Pub Date : 2025-10-09 DOI: 10.1016/j.jnoncrysol.2025.123806

Ruixin Guo , Zhengkun Zhao , Wei Deng , Michael Ojovan , Kai Xu , Anirban Chakrabarti

{"title":"Dissolution behavior of Ag-doped antibacterial borosilicate glass powders blended into polypropylene","authors":"Ruixin Guo , Zhengkun Zhao , Wei Deng , Michael Ojovan , Kai Xu , Anirban Chakrabarti","doi":"10.1016/j.jnoncrysol.2025.123806","DOIUrl":"10.1016/j.jnoncrysol.2025.123806","url":null,"abstract":"<div><div>Silver-doped borosilicate glass powders are frequently embedded into polymer matrices for potential antimicrobial applications. To assess the long-term release kinetics of Ag-containing borosilicate glass powder in polymer matrices, polypropylene (PP) blended with 5 wt% Ag-doped borosilicate glass powders was fabricated via the melt blending process. Additionally, immersion tests were conducted at 60 °C for up to 169 days under both dynamic (water flow rate ∼220 mL/day) and static aqueous conditions. Notably, both boron (B) and sodium (Na) exhibited stable release (0.1–0.4 ppm) over 90 days under dynamic conditions. SEM analysis revealed near-complete dissolution of the glass adjacent to the surface (depth: ∼0.2 mm), while the centrally embedded particles (depth: ∼1.0 mm) remained largely intact. Under static conditions, the concentrations of B and Na increased parabolically up to day 76 and attained kinetic equilibrium by day 103. This was followed by linear increases (∼83.9 ppm B, ∼97.1 ppm Na by day 169), which correlated with the appearance of Na-rich flake-like precipitates. Although the congruent dissolution profiles of B and Na remained similar under both conditions, the slower rate under static conditions was attributed to limited water penetration within the PP matrix.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"669 ","pages":"Article 123806"},"PeriodicalIF":3.5,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145270694","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Full-spectrum solid-state lighting with temperature self-monitoring using Ag clusters and Eu³⁺ co-doped borate glass 采用Ag团簇和Eu³+共掺杂硼酸盐玻璃制备的温度自监测全光谱固态照明

IF 3.5 3区材料科学

Journal of Non-crystalline Solids Pub Date : 2025-10-07 DOI: 10.1016/j.jnoncrysol.2025.123795

Jinsu Zhang , Bingye Zhang , Xizhen Zhang , Yongze Cao , Yichao Wang , Baojiu Chen , Kang Li

{"title":"Full-spectrum solid-state lighting with temperature self-monitoring using Ag clusters and Eu³⁺ co-doped borate glass","authors":"Jinsu Zhang , Bingye Zhang , Xizhen Zhang , Yongze Cao , Yichao Wang , Baojiu Chen , Kang Li","doi":"10.1016/j.jnoncrysol.2025.123795","DOIUrl":"10.1016/j.jnoncrysol.2025.123795","url":null,"abstract":"<div><div>Ag clusters and Eu<sup>3+</sup> co-doped borate glasses were synthesized via high-temperature melting and quenching. Fluorescence spectroscopy and fluorescence decay curves indicated energy transfer from Ag clusters to Eu<sup>3+</sup>, and the Dexter model confirmed that the energy transfer mechanism is dominated by dipole-dipole (D-D) interactions. By adjusting Eu<sup>3+</sup> concentration, warm white light emission was achieved in the Ag cluster/Eu<sup>3+</sup> co-doped borate glasses. The emission spectra of W-LED devices, composed of Ag cluster/Eu<sup>3+</sup> co-doped borate glasses and a 310 nm LED chip, were tested, with color coordinates, color temperature, and color rendering index (CRI) of (0.38, 0.37), 3808 K, and 90.4, respectively. Further spectral tests under varying driving currents and temperatures demonstrated that the Ag cluster/Eu<sup>3+</sup> co-doped borate glasses are stable candidates for W-LED materials. Additionally, the optical temperature sensing properties of the Ag cluster/Eu<sup>3+</sup> co-doped borate glasses enabled the W-LED device to achieve self-temperature monitoring.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"669 ","pages":"Article 123795"},"PeriodicalIF":3.5,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145270695","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Non-linear elastic-plastic behavior of the invert glass lithium phosphorous oxynitride (LiPON) 反玻璃氧化氮化磷锂（LiPON）的非线性弹塑性行为

IF 3.5 3区材料科学

Journal of Non-crystalline Solids Pub Date : 2025-10-04 DOI: 10.1016/j.jnoncrysol.2025.123793

S. Kalnaus , A.S. Westover , G.M. Veith , K.D. Owensby , W-Y. Tsai , T. Egami

引用次数: 0

Investigating zinc-doped silicate-based trinary glass using computational chemistry: A study on interatomic interaction, dissolution behavior, and antibacterial efficiency 用计算化学方法研究锌掺杂硅酸盐基三元玻璃：原子间相互作用、溶解行为和抗菌效率的研究

IF 3.5 3区材料科学

Journal of Non-crystalline Solids Pub Date : 2025-10-04 DOI: 10.1016/j.jnoncrysol.2025.123804

Amirhossein Moghanian , Ramin Farmani , Arman Tayebi , Niloufar Kolivand , Sirus Safaee

{"title":"Investigating zinc-doped silicate-based trinary glass using computational chemistry: A study on interatomic interaction, dissolution behavior, and antibacterial efficiency","authors":"Amirhossein Moghanian , Ramin Farmani , Arman Tayebi , Niloufar Kolivand , Sirus Safaee","doi":"10.1016/j.jnoncrysol.2025.123804","DOIUrl":"10.1016/j.jnoncrysol.2025.123804","url":null,"abstract":"<div><div>Molecular dynamics (MD) simulations were employed to investigate the structural and dissolution behavior of silicate-based Zn-doped glasses with a composition of 60SiO2-(40-x)CaO-xZnO (<em>x</em> = 1, 5, 10, 15, 20 mol%), labeled Zn1–Zn20. Using LAMMPS, the short- and medium-range order structures were analyzed. Short-range properties matched previous studies, validating the potential parameters, while bridging oxygens (BOs) and non-bridging oxygens (NBOs) remained unchanged, showing that ZnO substitution did not alter oxygen behavior. Zn20 had the highest density (2.82 g/cm3) versus 2.62 g/cm3 for Zn1, which was attributed to Zn’s higher molar mass. Network connectivity (NC) was slightly lower in Zn1 and Zn5 (2.71) than at higher Zn contents (2.73), suggesting lower solubility at higher ZnO contents. The clustering increased with ZnO as R<sub>Ca-Ca</sub> increased from 1.05 (Zn1) to 1.31 (Zn20). ICP-AES after 72 h in SBF showed reduced Si release (30 ppm Zn1 vs. 12 ppm Zn20) and higher pH (7.45 ± 0.045 Zn1 vs. 7.590 ± 0.048 Zn20). Antibacterial tests against <em>Escherichia coli</em> revealed that Zn5 had the strongest effect (***p ˂ 0.001). Overall, unlike previous studies that focused only on experiments, this work combined MD simulations and experiments to identify Zn5 as the optimized composition, showing efficient solubility, dissolution, and antibacterial activity, making it promising for biomedical and tissue engineering.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"669 ","pages":"Article 123804"},"PeriodicalIF":3.5,"publicationDate":"2025-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145227711","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0