Journal of Non-Crystalline Solids: X最新文献_第7页

Persistent homology: A tool to understand medium-range order glass structure 持久同源性：一种理解中程有序玻璃结构的工具

Journal of Non-Crystalline Solids: X Pub Date : 2022-12-01 DOI: 10.1016/j.nocx.2022.100123

Søren S. Sørensen , Tao Du , Christophe A.N. Biscio , Lisbeth Fajstrup , Morten M. Smedskjaer

{"title":"Persistent homology: A tool to understand medium-range order glass structure","authors":"Søren S. Sørensen , Tao Du , Christophe A.N. Biscio , Lisbeth Fajstrup , Morten M. Smedskjaer","doi":"10.1016/j.nocx.2022.100123","DOIUrl":"10.1016/j.nocx.2022.100123","url":null,"abstract":"<div>Glass structure remains puzzling to scientists, especially due to the challenges in characterizing their structural order beyond the first coordination shell, i.e., the so-called medium-range order. Structural method development is therefore needed to advance our understanding of, e.g., structure-property relations in these disordered materials. To this end, we here review the fundamentals, applications and perspectives of an interesting new approach, namely persistent homology, which is a type of topological data analysis. This method allows for the analysis of both ring- and void-type structures in materials without making any assumptions of the network structure. As discussed herein, it has recently been used to analyze atomic position data (as obtained from atomistic simulations or reverse Monte Carlo) of glasses, especially regarding their medium-range order structure. We also discuss the opportunities in coupling persistent homology analyses with machine learning calculations as well as the open questions and challenges that require further investigations.</div>","PeriodicalId":37132,"journal":{"name":"Journal of Non-Crystalline Solids: X","volume":"16 ","pages":"Article 100123"},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590159122000437/pdfft?md5=68cb0cb6ca65c142bbb44a66ad70ab0f&pid=1-s2.0-S2590159122000437-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44382398","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 5

Microscopic structure and dynamics of glass forming Zr2Co melts and the impact of different late transition metals on the melt properties 玻璃形成Zr2Co熔体的微观结构和动力学以及不同后过渡金属对熔体性能的影响

Journal of Non-Crystalline Solids: X Pub Date : 2022-12-01 DOI: 10.1016/j.nocx.2022.100131

M.D. Ruiz-Martín , D. Holland-Moritz , F. Yang , C.C. Yuan , G.G. Simeoni , T.C. Hansen , U. Rütt , O. Gutowski , J. Bednarčík , A. Meyer

{"title":"Microscopic structure and dynamics of glass forming Zr2Co melts and the impact of different late transition metals on the melt properties","authors":"M.D. Ruiz-Martín , D. Holland-Moritz , F. Yang , C.C. Yuan , G.G. Simeoni , T.C. Hansen , U. Rütt , O. Gutowski , J. Bednarčík , A. Meyer","doi":"10.1016/j.nocx.2022.100131","DOIUrl":"10.1016/j.nocx.2022.100131","url":null,"abstract":"<div>We studied the short-range order and the atomic dynamics of stable and undercooled binary Zr2Co alloy melts as well as their density and viscosity. The containerless processing technique of electrostatic levitation was used to achieve deep undercooling and to avoid contaminations. Static structure factors are determined by combining this technique with neutron and high energy X-ray diffraction. Co self-diffusion coefficients are measured by quasielastic neutron scattering. Our results reveal that the short-range order of the Zr2Co melts closely resembles that previously observed for Zr64Ni36. We consider this as the origin of the very similar melt dynamics of these two alloys at same temperatures. On the other hand, the difference in the structure and dynamics when compared with those of Zr2Cu and Zr2Pd shows clearly that not only the atomic sizes, but also electronic properties or chemical bonding have an important influence on the melt properties of Zr-based glass forming melts.PACS number(s): 61.20.−p, 61.25.Mv, 66.30.Fq, 61.05.F-, 61.05.cp</div>","PeriodicalId":37132,"journal":{"name":"Journal of Non-Crystalline Solids: X","volume":"16 ","pages":"Article 100131"},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590159122000516/pdfft?md5=3a99a8c8b519d9fb194c0c9702f48a9d&pid=1-s2.0-S2590159122000516-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43568999","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

Strategies to host silver quantum clusters in borosilicate glass: How to mutually fulfill PL efficiency and chemical stability? 硼硅玻璃中承载银量子团簇的策略:如何相互实现PL效率和化学稳定性?

Journal of Non-Crystalline Solids: X Pub Date : 2022-12-01 DOI: 10.1016/j.nocx.2022.100132

Tian Hu , Wenyan Zheng , Zhiyu Liu , Jiannan Jia , Xiuxia Xu , Qiang Xu , Xvsheng Qiao , Xianping Fan

{"title":"Strategies to host silver quantum clusters in borosilicate glass: How to mutually fulfill PL efficiency and chemical stability?","authors":"Tian Hu , Wenyan Zheng , Zhiyu Liu , Jiannan Jia , Xiuxia Xu , Qiang Xu , Xvsheng Qiao , Xianping Fan","doi":"10.1016/j.nocx.2022.100132","DOIUrl":"10.1016/j.nocx.2022.100132","url":null,"abstract":"<div>Silver quantum clusters (Ag QCs), with broadband molecular luminescence, are stabilized in the borosilicate glasses with the [SiO4]/[BO4]−/[BO3] blended networks. The introduction of SiO2 in the B2O3-Ag2O-BaO glasses induces the transformation of [BO3] to [BO4]− to prevent over-growth of Ag QCs → Ag NPs and uniformly disperse Ag QCs in glass matrix. Due to the uniformly distribution of Ag QCs, the photoluminescence (PL) quenching due to cross relaxation (CR) between Ag QCs is highly suppressed, achieving PL quantum yields (QYs) as high as 67.38%. The Ag QCs activated glass based WLEDs exhibit not only excellent chemical durability but also superior luminance performances with a color coordinate of (0.32, 0.37), a correlated color temperature (CCT) of 6030 K and a color rendering index (CRI) of 89.7. Thus, the Ag QCs activated borosilicate glasses can be considered as a new type of efficient luminescent materials for various photonic application.</div>","PeriodicalId":37132,"journal":{"name":"Journal of Non-Crystalline Solids: X","volume":"16 ","pages":"Article 100132"},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590159122000528/pdfft?md5=ea26775659194fde1c5e0bc6fdb41ccd&pid=1-s2.0-S2590159122000528-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46983559","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

Recent research on Li2O-Al2O3-SiO2 glass-ceramics for expansion of applications 拓展应用领域的Li2O-Al2O3-SiO2微晶玻璃研究进展

Journal of Non-Crystalline Solids: X Pub Date : 2022-12-01 DOI: 10.1016/j.nocx.2022.100121

Shingo Nakane

{"title":"Recent research on Li2O-Al2O3-SiO2 glass-ceramics for expansion of applications","authors":"Shingo Nakane","doi":"10.1016/j.nocx.2022.100121","DOIUrl":"10.1016/j.nocx.2022.100121","url":null,"abstract":"<div>Applications of Li2O-Al2O3-SiO2 glass-ceramics (LAS GC) have been extended to electronic and optical devices and production process equipment in addition to their conventional use in cookware. For further expansion and application to new markets, we demonstrate three topics of our research on the material and production processes from viewpoint of glass phases. The first topic is spherical LAS GC powder for a filler application. It has been developed successfully, which can be prepared in a single heat treatment where spheroidizing by viscous flow and crystallization are achieved simultaneously by considering the kinetics of the two phenomena. Second, high transparent LAS GC was obtained by the composition design of the glass-matrix phase, Ti-free, or increasing Al content based on the coloration mechanism. Third, the fan shape of the feeder in our forming process has accomplished to prevent devitrification and form the largest sheet of 2200 × 2500 × 5 mm.</div>","PeriodicalId":37132,"journal":{"name":"Journal of Non-Crystalline Solids: X","volume":"16 ","pages":"Article 100121"},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590159122000413/pdfft?md5=f071ec4c6993ddfadfba78cf86bd852b&pid=1-s2.0-S2590159122000413-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47003446","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Temperature and thermal stress analysis of ultrashort laser processed glass 超短激光加工玻璃的温度和热应力分析

Journal of Non-Crystalline Solids: X Pub Date : 2022-12-01 DOI: 10.1016/j.nocx.2022.100124

Jingshi Wu , Aram Rezikyan , Matthew R. Ross , Peter J. Lezzi , Jian Luo , Anping Liu

引用次数: 0

Effects of boron oxide on the structure, properties and bioactivities of bioactive glasses: A review 氧化硼对生物活性玻璃结构、性能和生物活性的影响

Journal of Non-Crystalline Solids: X Pub Date : 2022-12-01 DOI: 10.1016/j.nocx.2022.100118

Xiaonan Lu , Jincheng Du

{"title":"Effects of boron oxide on the structure, properties and bioactivities of bioactive glasses: A review","authors":"Xiaonan Lu , Jincheng Du","doi":"10.1016/j.nocx.2022.100118","DOIUrl":"10.1016/j.nocx.2022.100118","url":null,"abstract":"<div>Borate and boron oxide containing bioactive glasses have drawn attention because of their unique properties and potential biomedical applications. In this paper, we review recent advances in understanding of boron oxide addition on the structures and properties of bioactive glasses from both experimental and simulation studies. After reviewing the synthesis, characterization and applications of these novel bioactive glasses, recent developments of simulation methodologies including the interatomic potentials to model boron oxide containing bioactive glasses are reviewed. Effect of boron oxide to silica substitution on a range of properties such as density, glass transition temperature, coefficient of thermal expansion, diffusion and mechanical properties, as well as crystallization behavior, both from our own studies and those from literature, are summarized. Furthermore, influence of boron oxide on in vitro bioactivity in several bioactive glass series are reviewed and discussed, emphasizing the importance of in vitro testing conditions on the bioactivity evaluation. Lastly, an outlook of future directions of the field has been provided.</div>","PeriodicalId":37132,"journal":{"name":"Journal of Non-Crystalline Solids: X","volume":"16 ","pages":"Article 100118"},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590159122000383/pdfft?md5=7989ed7811cd4a07f3b8bc0cc5504bc4&pid=1-s2.0-S2590159122000383-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45644715","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 4

Kinetic model for prediction of subcritical crack growth, crack tip relaxation, and static fatigue threshold in silicate glass 预测硅酸盐玻璃亚临界裂纹扩展、裂纹尖端松弛和静态疲劳阈值的动力学模型

Journal of Non-Crystalline Solids: X Pub Date : 2022-12-01 DOI: 10.1016/j.nocx.2022.100134

S.J. Grutzik , K.T. Strong , J.M. Rimsza

{"title":"Kinetic model for prediction of subcritical crack growth, crack tip relaxation, and static fatigue threshold in silicate glass","authors":"S.J. Grutzik , K.T. Strong , J.M. Rimsza","doi":"10.1016/j.nocx.2022.100134","DOIUrl":"10.1016/j.nocx.2022.100134","url":null,"abstract":"<div>Prediction of brittle fracture of amorphous oxide glasses continues to be a challenge due to the existence of multiple fracture mechanisms that vary with loading conditions. To address this challenge, we present a model for all three regimes of crack growth in glasses. Regimes I and III are controlled by Arrhenius processes while regime II is transport controlled along with a simple Arrhenius model for viscoelastic stress relaxation. Through dimensional arguments and physical reasoning, we propose a single mechanism which underlies both regime III subcritical crack growth and near-crack-tip viscoelastic relaxation. By combining the subcritical crack growth and viscoelastic models we obtain a prediction for a threshold stress intensity, <math><mrow><msub><mrow><mi>K</mi></mrow><mrow><mi>th</mi></mrow></msub></mrow></math>, below which stresses around the crack relax faster than it propagates. For stress intensity <math><mrow><msub><mrow><mi>K</mi></mrow><mrow><mi>I</mi></mrow></msub><mo><</mo><msub><mrow><mi>K</mi></mrow><mrow><mi>th</mi></mrow></msub></mrow></math>, no subcritical crack growth is predicted to occur, allowing for the design of stable glass systems. The prediction is compared to measured subcritical fracture threshold data for soda-lime silica glasses.</div>","PeriodicalId":37132,"journal":{"name":"Journal of Non-Crystalline Solids: X","volume":"16 ","pages":"Article 100134"},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590159122000541/pdfft?md5=cc8aaf98da74485f1c5400c51cd37481&pid=1-s2.0-S2590159122000541-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45704787","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 3

Deformation behaviors of a model metallic glass under 3-D nanoindentation studied in molecular dynamics simulation 采用分子动力学方法研究了三维纳米压痕下金属玻璃模型的变形行为

Journal of Non-Crystalline Solids: X Pub Date : 2022-12-01 DOI: 10.1016/j.nocx.2022.100130

Haidong Liu, Yunfeng Shi, Liping Huang

{"title":"Deformation behaviors of a model metallic glass under 3-D nanoindentation studied in molecular dynamics simulation","authors":"Haidong Liu, Yunfeng Shi, Liping Huang","doi":"10.1016/j.nocx.2022.100130","DOIUrl":"10.1016/j.nocx.2022.100130","url":null,"abstract":"<div>In recent years, molecular dynamics (MD) simulation has been used to study the deformation behaviors of glass under nanoindentation, mainly using ideal geometries like a spherical indenter or a 2.5-D sample geometry to simplify post-analysis and save computational costs. To generate stress/strain fields that can be directly compared with experiments, we developed a 3-D nanoindentation protocol in this work to study the deformation behaviors of a model metallic glass under sharp contact loading in MD. Our studies show that the indenter sharpness controls the shear band formation, and the interaction between shear bands dictates the crack initiation in the model metallic glass. Shear bands and residual stress fields in the model metallic glass from our simulated nanoindentation tests are consistent with observations in soda-lime silicate (SLS) glass from the instrumented indentation in experiments, as both of them favor shear deformation under sharp contact loading.</div>","PeriodicalId":37132,"journal":{"name":"Journal of Non-Crystalline Solids: X","volume":"16 ","pages":"Article 100130"},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590159122000504/pdfft?md5=a8ef7b2acf61884b22048e35a4b66436&pid=1-s2.0-S2590159122000504-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44746012","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

Mechanical properties of mixed modified oxide glasses 混合改性氧化玻璃的力学性能

Journal of Non-Crystalline Solids: X Pub Date : 2022-12-01 DOI: 10.1016/j.nocx.2022.100125

Jianchao Lu , Zhitao Shan , Jun Zhang , Yucai Su , Kangfeng Yi , Yanfei Zhang , Qiuju Zheng

{"title":"Mechanical properties of mixed modified oxide glasses","authors":"Jianchao Lu , Zhitao Shan , Jun Zhang , Yucai Su , Kangfeng Yi , Yanfei Zhang , Qiuju Zheng","doi":"10.1016/j.nocx.2022.100125","DOIUrl":"10.1016/j.nocx.2022.100125","url":null,"abstract":"<div>Mixed modifier effect refers to the nonlinear variations of glass properties when mixing different types of modifier ions. The effect plays an important role since it can be applied to design glasses with controlled properties and it is also related to the raw materials selection. In this review, we will summarize the recent important progress on the mixed modifier effect in oxide glasses. The effect has been found in various properties, but we mainly focus on glass transition temperature (Tg), hardness (H), elastic modulus (E), and coefficient of thermal expansion (α) since these properties are critical in glass manufacture and products performance. Different properties exhibit unique features and many theories are proposed to account for the effect. The compositional dependence of these properties is reviewed and the theories proposed to explain this effect are discussed. Moreover, we suggest some future directions for the further work on the mixed modifier effect.</div>","PeriodicalId":37132,"journal":{"name":"Journal of Non-Crystalline Solids: X","volume":"16 ","pages":"Article 100125"},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590159122000450/pdfft?md5=573ec95a38795290c65e6f17f8ceaa49&pid=1-s2.0-S2590159122000450-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46114414","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 3

Viscoelastic behavior and fragility of Se-deficient chalcogenide liquids in As-P-Se system 缺硒硫族化合物液体在As-P-Se体系中的粘弹性行为和脆性

Journal of Non-Crystalline Solids: X Pub Date : 2022-12-01 DOI: 10.1016/j.nocx.2022.100128

Bing Yuan , Bruce G. Aitken , Sabyasachi Sen

{"title":"Viscoelastic behavior and fragility of Se-deficient chalcogenide liquids in As-P-Se system","authors":"Bing Yuan , Bruce G. Aitken , Sabyasachi Sen","doi":"10.1016/j.nocx.2022.100128","DOIUrl":"10.1016/j.nocx.2022.100128","url":null,"abstract":"<div>The viscoelastic behavior of supercooled Se-deficient liquids in the series AsxSe100-x (40 ≤ x ≤ 60) and PxAs4–xSe3 (0 ≤ x ≤ 2.8) are studied using parallel plate rheometry. The compositional variations in the viscosity and fragility of these liquids are shown to be consistent with the corresponding structural evolution. While the shear relaxation of AsxSe100-x liquids with 40 ≤ x ≤ 50 is associated with the dynamics of As<img>Se bond scission/renewal, the As-rich liquids with x ≥ 55 are found to display an additional low-frequency process, which is related to a cooperative interconversion between molecular and network structural moieties. A similar behavior is also exhibited by the As-rich liquids in the PxAs4–xSe3 series. In contrast, the P-rich liquids characterized by high molecule content display a power-law relaxation behavior resulting from a rather broad distribution of relaxation timescales associated with various dynamical modes of single molecules and molecular clusters.</div>","PeriodicalId":37132,"journal":{"name":"Journal of Non-Crystalline Solids: X","volume":"16 ","pages":"Article 100128"},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590159122000486/pdfft?md5=efa9359c051c670894d47f14ed09b50e&pid=1-s2.0-S2590159122000486-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47130856","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 3