Paul W. White , Elijah Meakins , Jacob Petersen , Cassandra M. Birrenkott , Vladimir Keylin , Nickolaus M. Bruno , Tula R. Paudel
{"title":"Elastic properties of Fe95-yNb2Mo2Cu1Siy-xBx (x=5-8, y=20-26) at % amorphous alloys","authors":"Paul W. White , Elijah Meakins , Jacob Petersen , Cassandra M. Birrenkott , Vladimir Keylin , Nickolaus M. Bruno , Tula R. Paudel","doi":"10.1016/j.jnoncrysol.2024.123283","DOIUrl":"10.1016/j.jnoncrysol.2024.123283","url":null,"abstract":"<div><div>Amorphous materials exhibit complex atomic structures characterized by the absence of long-range order, in contrast to the well-defined periodicity of crystalline materials. This structural complexity is further pronounced in compositions such as FeMCuSiB (M = Nb, Mo, W and Ta), which incorporate elements with varying atomic radii and valencies. The Young's modulus of structures generated using traditional methods, such as melt-quenching and random packing, shows poor agreement with experimental data. In this study, we employ hybrid methods for generating the structures, which involve randomly packing elements without overlap, followed by thermalization at room temperature using Ab-initio Molecular Dynamics simulations. The Young's modulus evaluated from these structures aligns well with values measured using Dynamic Mechanical Analysis. Additionally, we utilize these structures to determine other elastic moduli including the bulk modulus and tetragonal shear modulus and find that the obtained values are consistent with the expected range for these compounds. We attribute the improved accuracy to a more representative approximation of the amorphous structure and the direct application of energy-strain relationships, rather than stress-strain relationships, for elastic moduli determination. Our methodology facilitates reliable predictions of the physical properties of amorphous materials and contributes to the design of FeMCuSiB (M = Nb, Mo, W and Ta) alloys with enhanced mechanical properties.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"647 ","pages":"Article 123283"},"PeriodicalIF":3.2,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142533036","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}
{"title":"Selective doping of Ga20Ge20Se60 glass-ceramic matrix with lanthanum(III) selenide to increase its optical transparency in the 2–10 μm spectral range","authors":"M.V. Sukhanov , R.D. Blagin , A.P. Velmuzhov , D.G. Fukina , K.V. Sidorenko , B.S. Stepanov , V.S. Shiryaev","doi":"10.1016/j.jnoncrysol.2024.123270","DOIUrl":"10.1016/j.jnoncrysol.2024.123270","url":null,"abstract":"<div><div>To reduce optical losses due to scattering of radiation by crystals in Ga<sub>20</sub>Ge<sub>20</sub>Se<sub>60</sub> glass-ceramics, selective doping of the glass matrix with lanthanum(III) selenide is proposed. Samples of the (100-x)Ga<sub>20</sub>Ge<sub>20</sub>Se<sub>60</sub>-xLa<sub>40</sub>Se<sub>60</sub> (<em>x</em> = 0, 0.25, 0.625, 1.25, 2.5, 3.75, 5) glass- ceramics, which contain 40–57 vol.% of 3.0–4.6 μm sized sphalerite-type crystalline phases based on solid solutions of germanium(II, IV) selenides and gallium(III) selenide, are prepared. According to energy-dispersive spectroscopy data, lanthanum is concentrated in the glass matrix of glass-ceramics, and the distribution coefficient is 3.4 ± 0.6. An increase in the concentration of La in (100-x)Ga<sub>10</sub>Ge<sub>30</sub>Se<sub>60</sub>–xLa<sub>40</sub>Se<sub>60</sub> (<em>x</em> = 0, 1.25, 2.5) glasses leads to the rise of their refractive index by 0.023±0.008, when replacing 0.25Ga + 0.75Ge → 1La. For the first time, 97.5Ga<sub>20</sub>Ge<sub>20</sub>Se<sub>60</sub>–2.5La<sub>40</sub>Se<sub>60</sub> selenide glass-ceramics with a high volume content of micron-sized crystals and transparency of more than 50% in the 2–16 μm region are produced.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"647 ","pages":"Article 123270"},"PeriodicalIF":3.2,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142533033","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}
Hongrui Wang, Bowen Liu, Dongqing Pang, Minglie Hu
{"title":"Welding of glass and single crystal graphite film using a high repetition fs laser","authors":"Hongrui Wang, Bowen Liu, Dongqing Pang, Minglie Hu","doi":"10.1016/j.jnoncrysol.2024.123268","DOIUrl":"10.1016/j.jnoncrysol.2024.123268","url":null,"abstract":"<div><div>In this paper, we successfully welded an ordinary glass and a single crystal graphite film without visible cracks by employing a high repetition femtosecond laser. The tensile strength of two welding samples exceeds those of the original films. Based on the SEM-EDS data and the Raman spectra data, two types of plasma welding regions can be clearly discriminated. The welding mechanism can be attributed to the mixture of graphite plasma and glass plasma and their resolidification. The energy density of single pulse at the interface is the most dominant factor because of this welding mechanism. From the Raman spectra data of the rear surface of the <span><math><mrow><mn>20</mn><mspace></mspace><mi>μ</mi><mi>m</mi></mrow></math></span> sample, how the shock wave influences the configurations of the C–C bonds in the graphite film can also be studied. Those results are helpful in understanding the dynamics of femtosecond laser welding and quickly optimizing laser parameters.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"647 ","pages":"Article 123268"},"PeriodicalIF":3.2,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142533034","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}
{"title":"Size effect and its atomistic origin on the mechanical properties of open-cell nanoporous amorphous alloy","authors":"Yuhang Zhang , Lei Yuan , Yiqun Hu , Re Xia","doi":"10.1016/j.jnoncrysol.2024.123275","DOIUrl":"10.1016/j.jnoncrysol.2024.123275","url":null,"abstract":"<div><div>Nanoporous amorphous alloys exhibit outstanding mechanical properties, including enhanced ductility, high strength-to-density ratio, and exceptional toughness. In this paper, atomistic models of nanoporous CuZr amorphous alloys (NP–CuZr AAs) with self-similar microstructures but varying ligament sizes are constructed. Molecular dynamics simulations are employed to examine the effects of ligament size on their mechanical properties. The yield strength, yield strain, and Young's modulus are found to be higher under tension than under compression. This tension-compression asymmetry stems from the surface effect, and it becomes more pronounced with decreasing ligament size. As the ligament size increases, the Young's modulus and compressive yield strength increase, while the tensile yield strength and ultimate tensile strength decrease. The tensile behavior comprises linear elastic deformation, strain-hardening, and ligament decay stages. During the ligament decay deformation stage, ligament necking and fracture are more severe with larger ligament sizes, resulting in relatively lower resistance stress.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"647 ","pages":"Article 123275"},"PeriodicalIF":3.2,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142533031","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}
Tomáš Hostinský , Ladislav Koudelka , Petr Mošner , Gregory Tricot , Helena Drobná , Marta Razum , Ana Šantić
{"title":"The influence of B2O3 on structure and ionic conductivity of lithium phosphate-niobate glasses","authors":"Tomáš Hostinský , Ladislav Koudelka , Petr Mošner , Gregory Tricot , Helena Drobná , Marta Razum , Ana Šantić","doi":"10.1016/j.jnoncrysol.2024.123258","DOIUrl":"10.1016/j.jnoncrysol.2024.123258","url":null,"abstract":"<div><div>Glasses in the series (100-x)[0.4Li<sub>2</sub>O-0.2Nb<sub>2</sub>O<sub>5</sub>-0.4P<sub>2</sub>O<sub>5</sub>]-xB<sub>2</sub>O<sub>3</sub> were prepared with B<sub>2</sub>O<sub>3</sub> content ranging from 0 to 48 mol%. The glass transition temperature (T<sub>g</sub>) increases with up to 8 mol% B<sub>2</sub>O<sub>3</sub>, peaking at 512 °C, then decreases to 490 °C at 40 mol% B<sub>2</sub>O<sub>3</sub>. Raman spectra at low B<sub>2</sub>O<sub>3</sub> content indicate the presence of NbO<sub>6</sub> octahedra. XRD patterns of crystallized samples reveal NbOPO<sub>4</sub> formation across the entire composition range. Confrontation of the Raman spectra of glasses and crystalized glasses resulted in the assignment of the broad Raman band at 777–804 cm<sup>−1</sup> to Nb−O−Nb vibrations in the NbO<sub>6</sub> octahedra. <sup>11</sup>B MAS NMR shows a transition from BO<sub>4</sub> to BO<sub>3</sub> units, while <sup>31</sup>P MAS NMR suggests mixed borate-phosphate structures. Using 2D NMR techniques, mixed species were identified in the glass network. Ionic conductivity remained stable up to 16 mol% B<sub>2</sub>O<sub>3</sub> but decreased significantly at higher concentrations due to reduced Li<sup>+</sup> ion mobility in the mixed phosphate-borate network.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"646 ","pages":"Article 123258"},"PeriodicalIF":3.2,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142535378","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}
Bingxiao Ma , Yongchao Liang , Yuanwei Pu , Wenqiang Li , Lili Zhou , Zean Tian , Quan Xie
{"title":"Study on the mechanism of crystal-induced plasticity enhancement in Ni-Zr crystal/amorphous composites by molecular dynamics simulation","authors":"Bingxiao Ma , Yongchao Liang , Yuanwei Pu , Wenqiang Li , Lili Zhou , Zean Tian , Quan Xie","doi":"10.1016/j.jnoncrysol.2024.123271","DOIUrl":"10.1016/j.jnoncrysol.2024.123271","url":null,"abstract":"<div><div>The industrial applications of metallic glass (MGs) are limited by poor plasticity, which crystal/amorphous composites (CACs) can effectively address. This study simulates the compression of Ni-Zr MGs with embedded fcc crystal phases by molecular dynamics to elucidate the mechanism of crystal-induced plasticity enhancement. The plasticity of CACs improves with larger crystal sizes. Atoms at the crystal-amorphous interfaces (CAIs) are classified as CAIfcc and CAIMGs for fcc and MGs, respectively. The transformation of CAIfcc to CAIMGs at the CAIs is crucial for plastic flow during compression. The connection between CAIfcc and CAIMGs clusters is less stable than that of fcc, making it more prone to damage and leading to multiple shear bands (SBs). These SBs offer additional pathways for plastic flow, reducing stress concentration and enhancing material plasticity. This research provides an atomic-level understanding of crystal-induced plasticity in CACs, offering valuable insights for designing high-performance CACs.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"647 ","pages":"Article 123271"},"PeriodicalIF":3.2,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142533030","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}
Annalisa Pallini , Benedikt Ziebarth , Wolfgang Mannstadt , Alfonso Pedone
{"title":"Pressure-induced structural variations and mechanical behavior of silicate glasses: Role of aluminum and sodium","authors":"Annalisa Pallini , Benedikt Ziebarth , Wolfgang Mannstadt , Alfonso Pedone","doi":"10.1016/j.jnoncrysol.2024.123267","DOIUrl":"10.1016/j.jnoncrysol.2024.123267","url":null,"abstract":"<div><div>This study investigates the effects of pressure-induced densification on the structural and mechanical properties of albite-like (12.5 % Na<sub>2</sub>O·12.5 % Al<sub>2</sub>O<sub>3</sub>·75 % SiO<sub>2</sub>) and sodium silicate (12.5 % Na<sub>2</sub>O·87.5 % SiO<sub>2</sub>) glasses using Molecular Dynamics simulations. Densification increased the coordination numbers of Al and Na, facilitated Al-O-Al clustering and formation of three-bridging oxygens, reduced T-O-T angles, and packed sodium ions in albite glass. Sodium silicate glass exhibited densification primarily through increased Na coordination, reduction of Si-O-Si angle and reduced Na-Na distances. Elastic modulus calculations revealed increased stiffness with densification due to enhanced atomic packing and glass reticulation. Uniaxial tensile tests showed densified glasses had higher ductility and strength than undensified counterparts, highlighting the positive effects of pressure-induced structural rearrangements. Hydrostatic compression tests demonstrated reversible densification under varying pressure loads, with pre-treatment conditions significantly affecting residual densification.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"647 ","pages":"Article 123267"},"PeriodicalIF":3.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142533032","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
X. Chen , Y.H. Pan , B.Y. Zhang , Z.X. Jin , Y.C. Wang , Y.Q. Sun , K. Bai , T.S. Wang , H.B. Peng
{"title":"Repair effect of He+ ions in borosilicate glass by sequential irradiation","authors":"X. Chen , Y.H. Pan , B.Y. Zhang , Z.X. Jin , Y.C. Wang , Y.Q. Sun , K. Bai , T.S. Wang , H.B. Peng","doi":"10.1016/j.jnoncrysol.2024.123252","DOIUrl":"10.1016/j.jnoncrysol.2024.123252","url":null,"abstract":"<div><div>The structural variations from alpha decay in borosilicate glasses attract much attention. The glass samples were irradiated with single and sequential beams in Xe<sup>20+</sup> and He<sup>+</sup> ions. Sequential irradiation means the glasses, which were pre-irradiated with Xe<sup>20+</sup> ions, were irradiated with He<sup>+</sup>ions. The variations in macroscopic properties and microstructure were analyzed by nanoindentation, Raman spectra, infrared spectra and XPS spectra, respectively. After He<sup>+</sup> ion irradiation, the hardness of glasses decreases, and the BO<sub>4</sub> units increase in the glasses, attributed to the migration of Na on the sample surface. The hardness recovery was observed in sequential irradiation. Combined with the results of single ion irradiation, a reason for hardness recovery is that the migration of Na in deep layer causes the BO<sub>3</sub> structure to transform into BO<sub>4</sub> structure after He<sup>+</sup>ions irradiation. The variation of boron structures in sequential irradiation could be considered as the superposition of two single irradiation effects.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"647 ","pages":"Article 123252"},"PeriodicalIF":3.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142533074","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}
{"title":"Mathematical modeling of bioactive glass degradation","authors":"Heming Chen , Quan Shi , Kai Zheng","doi":"10.1016/j.jnoncrysol.2024.123265","DOIUrl":"10.1016/j.jnoncrysol.2024.123265","url":null,"abstract":"<div><div>Bioactive glasses (BGs) are promising for bone tissue engineering (BTE). Mathematical modeling is a powerful tool for understanding BTE scaffold degradation. We developed mathematical functions based on chemical reaction equations governing dissolution and diffusion processes to model the degradation of 45S5 BGs. An empirical mathematical model was employed to characterize the formation process of hydroxycarbonate apatite (HCA). Two sets of numerical simulations with BG powder and bulk samples immersed in simulated body fluid were compared with in vitro experiments to validate and parameterize the model. The model could accurately predict BG degradation and HCA formation. Our findings indicate that the proposed parameters <em>K</em><sub>1</sub>=2600 mm/(μmol·h), <em>K</em><sub>2</sub>=2.0 mm/h and <em>K</em><sub>3</sub>=0.001 mm/h are suitable for simulating the degradation of silicate-based BGs, specifically 45S5 BG. The proposed model successfully predicted the degradation behavior and subsequent HCA formation over 21 days. The proposed mathematical model serves as a valuable tool for designing degradable BG-containing scaffolds.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"646 ","pages":"Article 123265"},"PeriodicalIF":3.2,"publicationDate":"2024-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142535379","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}
Chaoju Xie , Ning Xu , Meng Zhang , Shengfeng Zhou , Huaijun Lin , Zu Li , Wei Li
{"title":"Tribological behaviors of Zr-based bulk metallic glass against Si3N4 ceramic under linear reciprocating sliding","authors":"Chaoju Xie , Ning Xu , Meng Zhang , Shengfeng Zhou , Huaijun Lin , Zu Li , Wei Li","doi":"10.1016/j.jnoncrysol.2024.123266","DOIUrl":"10.1016/j.jnoncrysol.2024.123266","url":null,"abstract":"<div><div>Tribological properties of bulk metallic glasses (BMGs) deeply affect their performances in potential applications, however, the main wear mechanisms remain partially understood, for the vastly varying contact conditions in friction. This work systematically reports tribological behaviors of Zr<sub>60.14</sub>Cu<sub>22.31</sub>Al<sub>9.7</sub>Fe<sub>4.85</sub>Ag<sub>3</sub> BMG against Si<sub>3</sub>N<sub>4</sub> ceramic during linear reciprocating sliding at different normal load (1–12 N) and reciprocating frequency (1–12 Hz). The time-dependent coefficient of friction (COF) indicates a prominent “running-in” stage during wear tests, which lengthens upon increased normal load while reduces at increased reciprocating frequency. Observation on worn surfaces indicates that the wear mechanism during “running-in” is mainly adhesive wear while in the stable stage is oxidative wear and adhesive wear. Intriguingly, high wear rate generally relates to adhesive wear and low wear rate relates to oxidative wear, while high COF relates to oxidative wear and low COF relates to adhesive wear. These results would help to understand the friction and wear of BMGs.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":"646 ","pages":"Article 123266"},"PeriodicalIF":3.2,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142535377","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}