Journal of Non-Crystalline Solids: X最新文献_第9页

Effect of pressure quenching on the structures and properties of borosilicate glasses: Insights from molecular dynamics simulations 压力淬火对硼硅酸盐玻璃结构和性能的影响:来自分子动力学模拟的见解

Journal of Non-Crystalline Solids: X Pub Date : 2022-09-01 DOI: 10.1016/j.nocx.2022.100112

Mengguo Ren, Jincheng Du

{"title":"Effect of pressure quenching on the structures and properties of borosilicate glasses: Insights from molecular dynamics simulations","authors":"Mengguo Ren, Jincheng Du","doi":"10.1016/j.nocx.2022.100112","DOIUrl":"10.1016/j.nocx.2022.100112","url":null,"abstract":"<div>Combining thermal and pressure effect represents a novel approach to modify glass properties. However, the microscopic structural origin of these property modifications is complex and far from fully understood, especially in multicomponent glasses with mixed glass formers. In this paper, we have utilized classical molecular dynamics simulations with a set of composition dependent potentials to investigate pressure-quenching effect on sodium borosilicate glasses. Processes including hot compression, cold compression and subsequent annealing on the structures and properties are investigated and compared. It was found that applying pressure up to 10 GPa at the glass transition temperature led to permanent densifications and a dramatic increase of elastic moduli by 90%, while thermal annealing reversed the increase and applying pressure at ambient temperture did not increase the modulus. The main structural change of the hot compressed sample is the increase of four-fold coordinated boron while silicon remains four-fold coordinated. The sodium environment shows an increase of coordination number and a decrease of Na<img>O and Na<img>Na bond distances. Medium range structure is also changed with an increase of 8-membered rings. These results provide atomistic insights of the pressure quench effect on borosilicate glasses.</div>","PeriodicalId":37132,"journal":{"name":"Journal of Non-Crystalline Solids: X","volume":"15 ","pages":"Article 100112"},"PeriodicalIF":0.0,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590159122000322/pdfft?md5=52dded7bbdc3b2a049d35e3b30a37f1f&pid=1-s2.0-S2590159122000322-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48920645","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

Space-time rigidity and viscoelasticity of glass forming liquids: The case of chalcogenides 玻璃形成液体的时空刚性和粘弹性:以硫属化合物为例

Journal of Non-Crystalline Solids: X Pub Date : 2022-09-01 DOI: 10.1016/j.nocx.2022.100117

Hugo M. Flores-Ruiz , J. Quetzalcóatl Toledo-Marín , Cristian Fernando Moukarzel , Gerardo G. Naumis

{"title":"Space-time rigidity and viscoelasticity of glass forming liquids: The case of chalcogenides","authors":"Hugo M. Flores-Ruiz , J. Quetzalcóatl Toledo-Marín , Cristian Fernando Moukarzel , Gerardo G. Naumis","doi":"10.1016/j.nocx.2022.100117","DOIUrl":"10.1016/j.nocx.2022.100117","url":null,"abstract":"<div>The viscoelasticity of glass-forming fluids contains sustantial information about space-time rigidity. Viscoelasticity and rheology provide alternative experimental, computational and theoretical ways to asses chemical composition effects in the relaxation of supercooled liquids near the glass transition. In particular, the transverse current correlation and transversal dynamical structure factor contain space-time information allowing to relate the dynamical gap of transversal vibrational modes with floppy modes and relaxation times in the liquid. Here, a short revision is made of the subject, including simulations of Tellurium, a typical chalcogenide glass. Our results are similar to those obtained for typical metallic liquids. To rationalize this result, an statistical mechanics analysis in the strain ensemble is performed by using a model that incorporates flexibility and hard-core potentials. This shows that the entropy is akin to a hard-cord fluid as angular bonds only renormalize the entropy if they are not substantially affected by temperature effects. Finally, a comparison is made with Selenium, where bond breaking effects do not allow such a straight-forward treatment.</div>","PeriodicalId":37132,"journal":{"name":"Journal of Non-Crystalline Solids: X","volume":"15 ","pages":"Article 100117"},"PeriodicalIF":0.0,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590159122000371/pdfft?md5=dabea0c85f20ab66dbefbf999ecf867c&pid=1-s2.0-S2590159122000371-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46731461","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

Molecular patterns in the thermophysical properties of pyridinium ionic liquids as phase change materials for energy storage in the intermittent temperature range 间歇性温度范围内作为储能相变材料的吡啶离子液体热物理性质的分子模式

Journal of Non-Crystalline Solids: X Pub Date : 2022-07-01 DOI: 10.1016/j.nocx.2022.100108

K. Matuszek, Corinne Hatton, M. Kar, J. Pringle, D. Macfarlane

引用次数: 4

Crossover in dynamics in the Kob-Andersen binary mixture glass-forming liquid kobb - andersen二元混合玻璃形成液动力学的交叉

Journal of Non-Crystalline Solids: X Pub Date : 2022-06-01 DOI: 10.1016/j.nocx.2022.100098

Pallabi Das, Srikanth Sastry

{"title":"Crossover in dynamics in the Kob-Andersen binary mixture glass-forming liquid","authors":"Pallabi Das, Srikanth Sastry","doi":"10.1016/j.nocx.2022.100098","DOIUrl":"10.1016/j.nocx.2022.100098","url":null,"abstract":"<div>Glass-forming liquids are broadly classified as being fragile or strong, depending on the deviation from Arrhenius behavior of their relaxation times. A fragile to strong crossover is observed or inferred in liquids like water and silica, and more recently also in metallic glasses and phase change alloys, leading to the expectation that such a crossover is more widely realised among glass formers. We investigate computationally the well-studied Kob-Andersen model, accessing temperatures well below the mode coupling temperature TMCT. We find that relaxation times exhibit a crossover in dynamics around TMCT, and discuss whether it bears characteristics of the fragile to strong crossover. Several aspects of dynamical heterogeneity exhibit behavior mirroring the dynamical crossover, whereas thermodynamic quantities do not. In particular, the Adam-Gibbs relation describing the relation between relaxation times and configurational entropy continues to hold below the dynamical crossover, when anharmonic corrections to the vibrational entropy are included.</div>","PeriodicalId":37132,"journal":{"name":"Journal of Non-Crystalline Solids: X","volume":"14 ","pages":"Article 100098"},"PeriodicalIF":0.0,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590159122000188/pdfft?md5=71198f8dfc3d0ca9ab59d6c445831a26&pid=1-s2.0-S2590159122000188-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41288284","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: 12

Revealing the nature of glass by the hyperquenching-annealing-calorimetry approach 用超淬火-退火-量热法揭示玻璃的性质

Journal of Non-Crystalline Solids: X Pub Date : 2022-06-01 DOI: 10.1016/j.nocx.2022.100099

Yuanzheng Yue

{"title":"Revealing the nature of glass by the hyperquenching-annealing-calorimetry approach","authors":"Yuanzheng Yue","doi":"10.1016/j.nocx.2022.100099","DOIUrl":"10.1016/j.nocx.2022.100099","url":null,"abstract":"<div>C. Austen Angell has been a great inspiration for liquid and glass scientists including myself. He was a close collaborator of mine on glass dynamics and thermodynamics, particularly on the sub-Tg relaxation in glass. Here, in memory of his seminal contributions to science and our collaboration, I revisit our published data and analyze our unpublished data, as well as review some of important results reported recently in the literature, concerning the sub-Tg relaxation in glass, a field on which Austen has profoundly impacted. I highlight new insights into the dynamics, thermodynamics, and structural heterogeneity in glass far from equilibrium, based on the hyperquenching-annealing-calorimetry (HAC) experiments. I describe key extensions and applications of the HAC approach in glass research. Finally, I present the perspectives and challenges regarding the sub-Tg relaxation in glasses with fictive temperatures well above Tg.</div>","PeriodicalId":37132,"journal":{"name":"Journal of Non-Crystalline Solids: X","volume":"14 ","pages":"Article 100099"},"PeriodicalIF":0.0,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S259015912200019X/pdfft?md5=0a111547b874cd44386e8258d02abb86&pid=1-s2.0-S259015912200019X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48959901","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: 7

On the behavior of uniaxial static stress loaded micro-scale fused silica beams at room temperature 室温下单轴静应力加载微尺度熔融硅梁的性能研究

Journal of Non-Crystalline Solids: X Pub Date : 2022-06-01 DOI: 10.1016/j.nocx.2022.100083

Saood Ibni Nazir, Christos E. Athanasiou, Yves Bellouard

引用次数: 0

Brillouin scattering in aluminosilicate glasses and melts up to 2550 K. Temperature and composition effects 铝硅酸盐玻璃中的布里渊散射和熔体高达2550 K。温度和成分效应

Journal of Non-Crystalline Solids: X Pub Date : 2022-06-01 DOI: 10.1016/j.nocx.2022.100086

Pascal Richet , Alain Polian , Dung Vo-Thanh , Yan Bottinga

{"title":"Brillouin scattering in aluminosilicate glasses and melts up to 2550 K. Temperature and composition effects","authors":"Pascal Richet , Alain Polian , Dung Vo-Thanh , Yan Bottinga","doi":"10.1016/j.nocx.2022.100086","DOIUrl":"10.1016/j.nocx.2022.100086","url":null,"abstract":"<div>Hypersonic sound velocities have been measured by Brillouin scattering for glasses and liquids of the system CaO-MgO-Al2O3-SiO2 (CMAS). Transverse wave velocities are reported for ten samples from 293 up to temperatures ranging from 1000 to 1600 K, depending on composition, and longitudinal velocities for six samples from 293 to the interval 1890–2360 K. For the 13 CMAS compositions, the temperature dependences of acoustic velocities are constant within three temperature intervals: (i) from 293 K to the standard glass transition temperature Tg, (ii) from Tg, to the temperature Trx of the onset of structural relaxation at the timescale of Brillouin scattering where transverse waves disappear, (iii) and finally above Trx where only longitudinal waves thus remain observed. The implications of these results for structural relaxation, shear-wave propagation and shear modulus are then discussed.</div>","PeriodicalId":37132,"journal":{"name":"Journal of Non-Crystalline Solids: X","volume":"14 ","pages":"Article 100086"},"PeriodicalIF":0.0,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590159122000061/pdfft?md5=4d97d19a6612475874b8c8cf9a7fa23a&pid=1-s2.0-S2590159122000061-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44543676","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

A perspective on the fragility of glass-forming liquids 玻璃成型液脆性的透视

Journal of Non-Crystalline Solids: X Pub Date : 2022-06-01 DOI: 10.1016/j.nocx.2022.100100

Christiane Alba-Simionesco , Gilles Tarjus

{"title":"A perspective on the fragility of glass-forming liquids","authors":"Christiane Alba-Simionesco , Gilles Tarjus","doi":"10.1016/j.nocx.2022.100100","DOIUrl":"10.1016/j.nocx.2022.100100","url":null,"abstract":"<div>We discuss possible extraneous effects entering in the conventional measures of “fragility” at atmospheric pressure that may obscure a characterization of the genuine super-Arrhenius slowdown of relaxation. We first consider the role of density, which increases with decreasing temperature at constant pressure, and then the potential influence of the high-temperature dynamical behavior and of the associated activation energy scale. These two effects involve thermodynamic parameters and the strength of the “bare” activation energy reflecting the specific bonding between neighboring molecules. They vary from system to system with, most likely, little connection with any putative collective behavior associated with glass formation. We show how to scale these effects out by refining the definition of fragility and modifying the celebrated Angell plot. We dedicate this note to our great and so inspiring friend, Austen Angell, and associate in this tribute another dear colleague who died too soon, Daniel Kivelson.</div>","PeriodicalId":37132,"journal":{"name":"Journal of Non-Crystalline Solids: X","volume":"14 ","pages":"Article 100100"},"PeriodicalIF":0.0,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590159122000206/pdfft?md5=ab40b955396aaf7f6031e9d4e698f62e&pid=1-s2.0-S2590159122000206-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41594287","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

“Glass is frozen beauty” - A Memorial Issue in Honor of C. Austen Angell (1933–2021) 《玻璃是凝固的美》——纪念c·奥斯汀·安吉尔(1933-2021)的专刊

Journal of Non-Crystalline Solids: X Pub Date : 2022-06-01 DOI: 10.1016/j.nocx.2022.100096

Pierre Lucas , Christiane Alba-Simionesco , Yuanzheng Yue , John Kieffer , Steve W. Martin

引用次数: 0

Lithium-ion conductivity and crystallization temperature of multicomponent oxide glass electrolytes 多组分氧化物玻璃电解质的锂离子电导率和结晶温度

Journal of Non-Crystalline Solids: X Pub Date : 2022-06-01 DOI: 10.1016/j.nocx.2022.100089

Kenji Nagao, Manari Shigeno, Ayane Inoue, Minako Deguchi, Hiroe Kowada, Chie Hotehama, Atsushi Sakuda, Masahiro Tatsumisago, Akitoshi Hayashi

{"title":"Lithium-ion conductivity and crystallization temperature of multicomponent oxide glass electrolytes","authors":"Kenji Nagao, Manari Shigeno, Ayane Inoue, Minako Deguchi, Hiroe Kowada, Chie Hotehama, Atsushi Sakuda, Masahiro Tatsumisago, Akitoshi Hayashi","doi":"10.1016/j.nocx.2022.100089","DOIUrl":"10.1016/j.nocx.2022.100089","url":null,"abstract":"<div>Lithium-ion-conducting oxide glass electrolytes in the multicomponent systems Li2O–B2O3–SiO2–P2O5-LiX (LiX = Li3N, Li2SO4, Li2CO3, and LiI) were synthesized using a mechanochemical technique. The crystallization temperature and ionic conductivity of multicomponent glasses with added lithium salts or Li3N were evaluated. Because the crystallization temperature is a measure of the ability of glasses to resist crystallization at high temperature, glasses with high conductivity and high crystallization temperature are desirable electrolytes. In this study, the lithium-ion conductivity of the glasses was found to be correlated with the crystallization temperature, and it was difficult to increase both the conductivity and crystallization temperature. The addition of lithium salts (Li2SO4, Li2CO3, and LiI) increased the conductivity but decreased the crystallization temperature. Nitrogen doping by the addition of Li3N improved both these properties of the oxide glass electrolyte. Therefore, oxynitride glasses are desirable electrolytes owing to their thermal stability and lithium-ion conductivity.</div>","PeriodicalId":37132,"journal":{"name":"Journal of Non-Crystalline Solids: X","volume":"14 ","pages":"Article 100089"},"PeriodicalIF":0.0,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590159122000097/pdfft?md5=699fb8805ed31e44fb3827b0ee7944d7&pid=1-s2.0-S2590159122000097-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45909182","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