Atom Probe Tomography Investigation of Clustering in Model P2O5-Doped Borosilicate Glasses for Nuclear Waste Vitrification.

Atom probe tomography (APT) has been utilized to investigate the microstructure of two model borosilicate glasses designed to understand the solubility limits of phosphorous pentoxide (P2O5). This component is found in certain high-level radioactive defence wastes destined for vitrification, where phase separation can potentially lead to a number of issues relating to the processing of the glass and its long-term chemical and structural stability. The development of suitable focused ion beam (FIB)-preparation routes and APT analysis conditions were initially determined for the model glasses, before examining their detailed microstructures. In a 3.0 mol% P2O5-doped glass, both visual inspection and sensitive statistical analysis of the APT data show homogeneous microstructures, while raising the content to 4.0 mol% initiates the formation of phosphorus-enriched nanoscale precipitates. This study confirms the expected inhomogeneities and phase separation of these glasses and offers routes to characterizing these at near-atomic scale resolution using APT.

Experimental borosilicate bioactive glasses: Pulp cells cytocompatibility and mechanical characterization.

AIM: To assess in vitro the effect of two novel phase separated borosilicate glasses (PSBS) in the system SiO2 -B2 O3 -K2 O-CaO-Al2 O3 on dental pulp cells; and to compare their bioactivity and mechanical properties to a conventional fluoroaluminosilicate glass ionomer cement namely FUJI IX. METHODOLOGY: The cytocompatibility assessment of the two novel borosilicate glasses, one without alumina (PSBS8) and one containing alumina (PSBS16), was performed on cultured primary human pulp cells. Alamar blue assay was used to assess cell metabolic activity and cell morphology was evaluated by confocal imaging. The bioactivity in Stimulated Body Fluid was also evaluated after 1 and 3 weeks of immersion using SEM-EDX analysis. Vickers microhardness and flexural strength were assessed after incorporating the glass particles into a commercial glass ionomer cement (GIC) liquid containing both polyacrylic and polybasic carboxylic acid. RESULTS: The data revealed that the two borosilicate glasses enhanced cell viability ratios at all-time points in both direct and indirect contact assays. After 3 days of contact, PSBS8 without alumina showed higher viability rate (152%) compared to the PSBS16 containing alumina (145%) and the conventional glass ionomer particles (117%). EDX analysis confirmed an initial Ca/P ratio of 2.1 for 45S5K and 2.08 for PSBS8 without alumina after 3 weeks of immersion. The cement prepared using PSBS8 showed significantly higher Vickers hardness values (p = .001) than that prepared using PSBS16 (46.6 vs. 36.7 MPa). After 24 h of maturation, PSBS8 (without alumina) exhibited a flexural strength of 12.9 MPa compared to a value of 16.4 MPa for the commercial control. PSBS8 without alumina had a higher strength than PSBS16 with alumina, after 1 and 7 days of maturation (p = .001). CONCLUSIONS: The present in vitro results demonstrated that the borosilicate bioactive glass without alumina enhanced pulp cell viability, spreading and acellular bioactivity better than the conventional GIC and the experimental borosilicate glass containing alumina.

Thermoluminescence glow curve deconvolution and kinetic parameter determination of samarium-doped lithium borosilicate glass.

Thermoluminescence glow curves of gamma-irradiated samarium-doped lithium borosilicate glass were investigated. The number of overlapping peaks was determined using the repeated initial rise method. The glow curves were deconvoluted into four overlapping peaks. The trapping parameters such as activation energy E, frequency factor (s), and kinetic order (b) for each peak were determined. The obtained results indicated that the lithium borosilicate glass doped with samarium had four electron trap levels with the average activation energies of 0.82, 1.01, 1.21, and 1.31 eV. Thermal fading analysis of the individual peaks based on the deconvolution data was performed. The obtained results showed high thermal fading of the first peak, but high thermal stability of the second and third peaks compared with the other peaks. These results could be used to explain some observed properties such as high thermal fading and light sensitivity for this thermoluminescent material. Moreover, the obtained results may be helpful in minimizing fading corrections in dosimetric applications.

Response Surface Optimisation of Polydimethylsiloxane (PDMS) on Borosilicate Glass and Stainless Steel (SS316) to Increase Hydrophobicity.

Particle deposition on the surface of a drying chamber is the main drawback in the spray drying process, reducing product recovery and affecting the quality of the product. In view of this, the potential application of chemical surface modification to produce a hydrophobic surface that reduces the powder adhesion (biofouling) on the wall of the drying chamber is investigated in this study. A hydrophobic polydimethylsiloxane (PDMS) solution was used in the vertical dipping method at room temperature to determine the optimum coating parameters on borosilicate glass and stainless steel substrates, which were used to mimic the wall surface of the drying chamber, to achieve highly hydrophobic surfaces. A single-factor experiment was used to define the range of the PDMS concentration and treatment duration using the Response Surface Methodology (RSM). The Central Composite Rotatable Design (CCRD) was used to study the effects of the concentration of the PDMS solution (X1, %) and the treatment duration (X2, h) on the contact angle of the substrates (°), which reflected the hydrophobicity of the surface. A three-dimensional response surface was constructed to examine the influence of the PDMS concentration and treatment duration on contact angle readings, which serve as an indicator of the surface's hydrophobic characteristics. Based on the optimisation study, the PDMS coating for the borosilicate glass achieved an optimum contact angle of 99.33° through the combination of a PDMS concentration of X1 = 1% (w/v) and treatment time of X2 = 4.94 h, while the PDMS coating for the stainless steel substrate achieved an optimum contact angle of 98.31° with a PDMS concentration of X1 = 1% (w/v) and treatment time of X2 = 1 h. Additionally, the infrared spectra identified several new peaks that appeared on the PDMS-treated surfaces, which represented the presence of Si-O-Si, Si-CH3, CH2, and CH3 functional groups for the substrates coated with PDMS. Furthermore, the surface morphology analysis using the Field Emission Scanning Electron Microscopy (FESEM) showed the presence of significant roughness and a uniform nanostructure on the surface of the PDMS-treated substrates, which indicates the reduction in wettability and the potential effect of unwanted biofouling on the spray drying chamber. The application of PDMS and PTFE on the optimally coated substrates successfully reduced the amount of full cream milk particles that adhered to the surface. The low surface energy of the treated surface (19-27 mJ/m2) and the slightly higher surface tension of the full cream milk (54-59 mJ/m2) resulted in a high contact angle (102-103°) and reduced the adhesion work on the treated substrates (41-46 mJ/m2) as compared to the native substrates.

Practical measurement of the energy resolution for meV-resolved inelastic X-ray scattering.

Several different ways of measuring the energy resolution for meV-resolved inelastic X-ray scattering (IXS) are compared: using scattering from poly(methyl methacrylate), PMMA, using scattering from borosilicate glass (Tempax), and using powder diffraction from aluminium. All of these methods provide a reasonable first approximation to the energy resolution, but, also, in all cases, inelastic contributions appear over some range of energy transfers. Over a range of ±15 meV energy transfer there is good agreement between the measurements of PMMA and Tempax at low temperature, and room-temperature powder diffraction from aluminium, so we consider this to be a good indication of the true resolution of our ∼1.3 meV spectrometer. The resolution over a wider energy range is self-consistently determined using the temperature, momentum and sample dependence of the measured response. The inelastic contributions from the PMMA and Tempax, and their dependence on momentum transfer and temperature, are then quantitatively investigated. The resulting data allow us to determine the resolution of our multi-analyzer array efficiently using a single scan. The importance of this procedure is demonstrated by showing that the results of the analysis of a spectrum from a glass are changed by using the properly deconvolved resolution function. The impact of radiation damage on the scattering from PMMA and Tempax is also discussed.

Energy transfer analysis and realization of cool to warm white light in Dy3+ /Sm3+ /Er3+ triply doped multicomponent borosilicate glass for white light generation.

A series of Dy3+ /Sm3+ /Er3+ triply doped multicomponent borosilicate glasses (DSE) was synthesized using varying Er3+ ions concentrations through a conventional melt quenching technique. The influence of triple doping on the optical characteristics of the prepared glass was evaluated to estimate the possibility of achieving white light emission through optical absorption, photoluminescence excitation (PLE), and emission (PL) measurements. Based on the PLE and PL spectral profiles, the presence of energy transfer processes between Dy3+ , Sm3+ , and Er3+ was confirmed. Furthermore, for Dy3+ /Sm3+ /Er3+ triply doped glass, an enhancement in Er3+ green luminescence and a noticeable decrease in Dy3+ and Sm3+ emissions were detected with the increase in Er3+ concentration. The nature of energy transfer in DSE glass was investigated through Dexter's energy transfer mechanisms and the obtained result suggested that a dipole-dipole interaction was responsible for the dominant Sm3+ to Dy3+ and Dy3+ to Er3+ energy transfer processes. The precise characteristic colours that emanated from the as-prepared samples were evaluated using Commission Internationale de l'Éclairage co-ordinates and correlated colour temperature values and suggested its suitability for white light emission. The quantum efficiency of the prepared glass was determined experimentally. The aforementioned results recommend that the Dy3+ /Sm3+ /Er3+ triply doped multicomponent borosilicate glass irradiated with ultraviolet light sources might be useful for the generation of cool/warm white light-emitting applications.

Improved Magnetization Transfers among Quadrupolar Nuclei in Two-Dimensional Homonuclear Correlation NMR Experiments Applied to Inorganic Network Structures.

We demonstrate that supercycles of previously introduced two-fold symmetry dipolar recoupling schemes may be utilized successfully in homonuclear correlation nuclear magnetic resonance (NMR) spectroscopy for probing proximities among half-integer spin quadrupolar nuclei in network materials undergoing magic-angle-spinning (MAS). These (SR2 2 1 ) M , (SR2 4 1 ) M , and (SR2 8 1 )M recoupling sequences with M = 3 and M = 4 offer comparably efficient magnetization transfers in single-quantum-single-quantum (1Q-1Q) correlation NMR experiments under moderately fast MAS conditions, as demonstrated at 14.1 T and 24 kHz MAS in the contexts of 11 B NMR on a Na 2 O-CaO-B 2 O 3 -SiO 2 glass and 27 Al NMR on the open framework aluminophosphate AlPO-CJ19 [(NH 4 ) 2 Al 4 (PO 4 ) 4 HPO 4 · H 2 O]. Numerically simulated magnetization transfers in spin-3/2 pairs revealed a progressively enhanced tolerance to resonance offsets and rf-amplitude errors of the recoupling pulses along the series (SR2 2 1 ) M < (SR2 4 1 ) M < (SR2 8 1 )M for increasing differences in chemical shifts between the two nuclei. Nonetheless, for scenarios of a relatively minor chemical-shift dispersions ( ≲ 3 kHz), the (SR2 2 1 )M supercycles perform best both experimentally and in simulations.

Hydroxyl-Group Identification Using O K-Edge XAFS in Porous Glass Fabricated by Hydrothermal Reaction and Low-Temperature Foaming.

Porous glass was prepared by the hydrothermal reaction of sodium borosilicate glass, and oxygen-ion characterization was used to identify the hydroxyl groups in its surface area. A substantial amount of "water" was introduced into the ionic structure as either OH- groups or H2O molecules through the hydrothermal reaction. When the hydrothermally treated glass was reheated at normal pressures, a porous structure was formed due to the low-temperature foaming resulting from the evaporation of H2O molecules and softening of the glass. Although it was expected that the OH- groups would remain in the porous glass, their distribution required clarification. Oxygen K-edge X-ray absorption fine structure (XAFS) spectroscopy enables the bonding states of oxygen ions in the surface area and interior to be characterized using the electron yield (EY) and fluorescence yield (FY) mode, respectively. The presence of OH- groups was detected in the O K-edge XAFS spectrum of the porous glass prepared by hydrothermal reaction with a corresponding pre-edge peak energy of 533.1 eV. In addition, comparison of the XAFS spectra obtained in the EY and FY modes revealed that the OH- groups were mainly distributed in the surface area (depths of several tens of nanometers).

Impact of Vial Washing and Depyrogenation on Surface Properties and Delamination Risk of Glass Vials.

PURPOSE: The proper understanding of glass delamination is important to glass manufacturers, pharmaceutical companies, and health authorities to mitigate the occurrence of glass flakes from the vial when in contact with specific drug product solutions. The surface of glass vials is altered during glass cane- and vial forming processes and is exposed to different stress conditions during drug product processing before coming in contact with the drug product solution. In this study, the impact of vial washing and depyrogenation including an evaluation of various residual water volumes on surface properties of glass vials was investigated for a defined set of vials. METHODS: 3D laser scanning microscopy was established as a new method for topographic analysis of curved surfaces of glass vials operating in high-throughput mode. A subset of vials was subsequently exposed to delamination stress testing and both the stressed solution and inner vial surface were analyzed by a panel of conventional and advanced analytical techniques including 3D laser scanning microscopy. RESULTS: The data showed that vial washing and depyrogenation strongly influenced surface properties, in particular those of uncoated vials. Surface characteristics such as pits increased depending on the process conditions, which especially applies to Expansion 33 vials. Even low residual water volumes of 50 µL after vial washing were sufficient to change the surface properties of the glass and weaken the surface in those positions prone to glass delamination. An increase in pits was related to a greater risk for glass delamination. CONCLUSIONS: Vial processing conditions need to be assessed when aiming at minimizing the glass delamination risk during parenteral product storage.

Emission analysis of Tb3+ -and Sm3+ -ion-doped (Li2 O/Na2 O/K2 O) and (Li2 O + Na2 O/Li2 O + K2 O/K2 O + Na2 O)-modified borosilicate glasses.

Four series of borosilicate glasses modified by alkali oxides and doped with Tb3+ and Sm3+ ions were prepared using the conventional melt quenching technique, with the chemical composition 74.5B2 O3 + 10SiO2 + 5MgO + R + 0.5(Tb2 O3 /Sm2 O3 ) [where R = 10(Li2 O /Na2 O/K2 O) for series A and C, and R = 5(Li2 O + Na2 O/Li2 O + K2 O/K2 O + Na2 O) for series B and D]. The X-ray diffraction (XRD) patterns of all the prepared glasses indicate their amorphous nature. The spectroscopic properties of the prepared glasses were studied by optical absorption analysis, photoluminescence excitation (PLE) and photoluminescence (PL) analysis. A green emission corresponding to the 5 D4 → 7 F5 (543 nm) transition of the Tb3+ ions was registered under excitation at 379 nm for series A and B glasses. The emission spectra of the Sm3+ ions with the series C and D glasses showed strong reddish-orange emission at 600 nm (4 G5/2 →6 H7/2 ) with an excitation wavelength λexci = 404 nm (6 H5/2 →4 F7/2 ). Furthermore, the change in the luminescence intensity with the addition of an alkali oxide and combinations of these alkali oxides to borosilicate glasses doped with Tb3+ and Sm3+ ions was studied to optimize the potential alkali-oxide-modified borosilicate glass.

A 3D microfluidic perfusion system made from glass for multiparametric analysis of stimulus-secretioncoupling in pancreatic islets.

Microfluidic perfusion systems (MPS) are well suited to perform multiparametric measurements with small amounts of tissue to function as an Organ on Chip device (OOC). Such microphysiolgical characterization is particularly valuable in research on the stimulus-secretion-coupling of pancreatic islets. Pancreatic islets are fully functional competent mini-organs, which serve as fuel sensors and transduce metabolic activity into rates of hormone secretion. To enable the simultaneous measurement of fluorescence and oxygen consumption we designed a microfluidic perfusion system from borosilicate glass by 3D femtosecond laser ablation. Retention of islets was accomplished by a plain well design. The characteristics of flow and shear force in the microchannels and wells were simulated and compared with the measured exchange of the perfusion media. Distribution of latex beads, MIN6 cell pseudo islets and isolated mouse islets in the MPS was characterized in dependence of flow rate and well depth. Overall, the observations suggested that a sufficient retention of the islets at low shear stress, together with sufficient exchange of test medium, was achieved at a well depth of 300 µm and perfusion rates between 40 and 240 µl/min. This enabled multiparametric measurement of oxygen consumption, NAD(P)H autofluorescence, cytosolic Ca2+ concentration, and insulin secretion by isolated mouse islets. After appropriate correction for different lag times, kinetics of these processes could be compared. Such measurements permit a more precise insight into metabolic changes underlying the regulation of insulin secretion. Thus, rapid prototyping using laser ablation enables flexible adaption of borosilicate MPS designs to different demands of biomedical research.

Mechanical Strength and Broadband Transparency Improvement of Glass Wafers via Surface Nanostructures.

In this study, we mechanically strengthened a borosilicate glass wafer by doubling its bending strength and simultaneously enhancing its transparency using surface nanostructures for different applications including sensors, displays and panels. A fabrication method that combines dry and wet etching is used for surface nanostructure fabrication. Specifically, we improved the bending strength of plain borosilicate glass by 96% using these surface nanostructures on both sides. Besides bending strength improvement, a limited optical transmittance enhancement of 3% was also observed in the visible light wavelength region (400-800 nm). Both strength and transparency were improved by using surface nanostructures of 500 nm depth on both sides of the borosilicate glass without affecting its bulk properties or the glass manufacturing process. Moreover, we observed comparatively smaller fragments during the breaking of the nanostructured glass, which is indicative of strengthening. The range for the nanostructure depth is defined for different applications with which improvements of the strength and transparency of borosilicate glass substrate are obtained.

Aluminum elution and precipitation in glass vials: effect of pH and buffer species.

Inorganic extractables from glass vials may cause particle formation in the drug solution. In this study, the ability of eluting Al ion from borosilicate glass vials, and tendencies of precipitation containing Al were investigated using various pHs of phosphate, citrate, acetate and histidine buffer. Through heating, all of the buffers showed that Si and Al were eluted from glass vials in ratios almost the same as the composition of borosilicate glass, and the amounts of Al and Si from various buffer solutions at pH 7 were in the following order: citrate > phosphate > acetate > histidine. In addition, during storage after heating, the Al concentration at certain pHs of phosphate and acetate buffer solution decreased, suggesting the formation of particles containing Al. In citrate buffer, Al did not decrease in spite of the high elution amount. Considering that the solubility profile of aluminum oxide and the Al eluting profile of borosilicate glass were different, it is speculated that Al ion may be forced to leach into the buffer solution according to Si elution on the surface of glass vials. When Al ions were added to the buffer solutions, phosphate, acetate and histidine buffer showed a decrease of Al concentration during storage at a neutral range of pHs, indicating the formation of particles containing Al. In conclusion, it is suggested that phosphate buffer solution has higher possibility of forming particles containing Al than other buffer solutions.

Development of a Polyethylene Glycol/Polymethyl Methacrylate-Based Binder System for a Borosilicate Glass Filler Suitable for Injection Molding.

Powder injection molding is an established, cost effective and often near-net-shape mass production process for metal or ceramic parts with complex geometries. This paper deals with the extension of the powder injection molding process chain towards the usage of a commercially available borosilicate glass and the realization of glass compounds with huge densities. The whole process chain consists of the individual steps of compounding, molding, debinding, and sintering. The first part, namely, the search for a suitable feedstock composition with a very high solid load and reliable molding properties, is mandatory for the successful manufacture of a dense glass part. The most prominent feature is the binder composition and the related comprehensive rheological characterization. In this work, a binder system consisting of polyethylene glycol and polymethylmethacrylate with stearic acid as a surfactant was selected and its suitability for glass injection molding was evaluated. The influence of all feedstock components on processing and of the process steps on the final sintered part was investigated for sintered glass parts with densities around 99% of the theoretical value.

Investigation of the leaching behavior of Na and Si in simulated HLW borosilicate glass obtained from the waste of a 1000 MWe class PWR reactor: using the response surface method.

The immobilization of high-level nuclear waste (HLW) in glass waste matrices provides the key safety function of slowing down radionuclide emissions from an underground disposal site. This study examines the leaching behavior of two major elements, Na and Si, in HLW borosilicate glass simulated from waste of a 1000 MWe class pressurized water reactor (PWR) using response surface methodology and Box-Behnken Design. The design of the experiment was carried out considering three independent variables: the pH of the solution, the contact time, and the leaching temperature, leading to 17 leaching runs performed using the static product consistency test (PCT). The results of statistical analysis (ANOVA: analysis of variance) indicated that the effects of the individual variables and the interactions between them were statistically significant, and the relative consistency of the data further confirmed the model's applicability. Data obtained from the PCT experiments revealed that the leaching behavior of Na and Si in the evaluated waste glass exhibited similar behavior to previously researched glasses for each condition tested.

Spontaneous immunomodulation and regulation of angiogenesis and osteogenesis by Sr/Cu-borosilicate glass (BSG) bone cement to repair critical bone defects.

Injectable bone biomaterials like bone cement should be designed and fabricated with certain biological criteria, which include: 1) recruitment and polarization of the macrophages from M1 (pro-inflammatory) to M2 (anti-inflammatory) phenotype, 2) enhance vascularization, and 3) activate osteogenic differentiation of bone marrow-derived stem cells to promote bone healing. So far, no injectable biomaterials could spontaneously regulate the entire bone healing process that involves inflammation, angiogenesis, and osteogenesis. Therefore, in this study, we designed bone cement comprised of strontium and copper-incorporated borosilicate glass (Sr/Cu-BSG) in the liquid phase of chitosan to modulate bone healing. In vitro studies showed that the controlled release of Sr and Cu ions up-regulated anti-inflammatory genes(IL-1Ra and TGF-ß1) while down-regulating pro-inflammatory genes(IL-1ß and IL-6) in macrophages at 3 days. Sr and Cu ions also increased the expressions of angiogenic genes (VEGF and bFGF) in HUVECs at 5 days and osteogenic genes (Runx-2, OCN, and OPN) in hBMSCs at 7, 14, and 21 days. 5Sr3Cu-BSG bone cement exhibited the best anti-inflammatory, angiogenic, and osteogenic properties among the bone cement groups with different Sr and Cu ratios. Short-term and long-term implantation of Sr/Cu-BSGs in femoral condylar bone defects of rats and rabbits confirmed the in vitro results, where the degradation rate of Sr/Cu-BSG matched the bone healing rate. Similar to in vitro, the 5Sr3Cu-BSG group also showed the highest bone formation in vivo. Excellent physical and chemical properties, along with its bone repairing ability, make the Sr/Cu-BSG bone cement a good candidate biomaterial for treating bone defects.

Glass-Zirconia Composites as Seals for Solid Oxide Cells: Preparation, Properties, and Stability over Repeated Thermal Cycles.

This study focuses on the preparation and characterization of composite gaskets designed for the sealing of the solid oxide cell stacks operating below 700 °C. The seals were fabricated with the addition of various amounts (10-90 wt.%) of 3 mol.% yttria partially stabilized zirconia to a BaO-Al2O3-CaO-SiO2 glass matrix. The sample gaskets in the form of thin frames were shaped by tape casting. The quality of the junctions between the composites and Crofer 22APU steel commonly used as an SOC interconnect was evaluated after thermal treatment of heating to 710 °C, then cooling to the working temperature of around 620 °C and then leaving them for 10h in an air atmosphere, before cooling to room temperature. The samples were also studied after 3, 5, and 10 thermal cycles to determine the changes in microstructure and to evaluate the porosity and possible crystallization of the glass phase. The compression of the seals was calculated on the basis of differences in thickness before and after thermal treatment. The influence of zirconia additions on the mechanical properties of the seals was studied. The experimental results confirmed that glass-ceramic composites are promising materials for gaskets in SOC stacks. The most beneficial properties were obtained for a composite containing 40 wt.% of YSZ.

Microscopic Analysis of the Wetting Morphology and Interfacial Bonding Mechanism of Preoxidised Kovar Alloys with Borosilicate Glass.

This paper investigates the wettability of Kovar alloys with high-borosilicate glass and microscopically analyses the mechanism of wettability and diffusion between Kovar and borosilicate glass. First, Kovar was oxidised at 800 °C for 5, 15, 25, 35, and 60 min to observe the oxide morphology of the Kovar surface layer and to analyse the composition of the oxide layer. To investigate the wetting pattern formations of Kovar and high-borosilicate glass under different wetting temperatures, times, and preoxidation conditions, Kovar and high-borosilicate glass obtained from different oxidation treatments were held at 1060 °C for 20 min for wetting experiments, and the glass-metal wetting interface morphology and elemental distribution were observed using SEM and EDS. The elemental diffusion at the wetting interface between the borosilicate glass and the Kovar with different preoxidation and at the glass spreading boundary was investigated. The longitudinal diffusion of the liquid glass in the metal oxide layer formed a new tight chemical bond of Fe2SiO4, and the lateral diffusion of the liquid glass in the Kovar surface layer formed a black halo.

A study on mechanical and tribological properties of eco-friendly synthesized ZrO2-doped borosilicate glasses.

The research article aims to investigate the mechanical and tribological characteristics of bioactive glass specimens comprising 31B2O3-20SiO2-24.5Na2O-(24.5-x) CaO and xZrO2 (mol%). This glass system was partially derived from bio-waste, with varying concentrations of Zirconia (ZrO2) represented x (x = 0, 1, 3, and 5). The specimens were fabricated using the traditional melt-quench method. Mechanical studies like hardness and compressive strength were measured using Vickers hardness tester and universal tensile machine respectively, while a pin-on-disk tribometer was used to analyze the tribological characteristics. All the specimens were soaked in SBF for a week to assess in-vitro bioactivity. The research findings indicate that Zirconia inclusion resulted in a significant reduction in the intensity of hydroxyapatite peaks of FTIR and XRD spectra, suggesting a decrease in bioactivity. However, it concurrently resulted in increased glass hardness, with the highest value (∼7.55 GPa) observed in the BSG-5 glass sample. Similarly, compressive strength results demonstrated maximum strength in BSG-5 glass specimen, with a value of approximately ∼132 MPa. Moreover, the tribological properties of the glass system were enhanced, evident from the reduced coefficient of friction and specific wear rate. Notably, the BSG-5 glass specimen exhibited the least wear coefficient of 0.018 mm3/N-m at a track radius of 40 mm and a load of 15N. These findings were further supported by SEM images of the worn-out ZrO2-Doped Borosilicate Glass surface. Overall, the results suggest that the addition of Zirconia to borosilicate glass holds promise for improving its mechanical and tribological characteristics. However, this enhancement comes at the expense of its bioactivity. Consequently, the modified glass system presents a cost effective viable option for various applications, particularly in load-bearing and dental applications.

Effect of B/Si molar ratio on the structure and properties of borosilicate bioactive glasses assessed using molecular dynamics simulations.

Due to the improvement and innovation of theoretical methods and the increasing enhancement of high performance computing, computer simulations provide a new method and strategy for optimizing complex composition of novel bioactive glass. In this work, molecular dynamics simulations were used to analyze the effect of B/Si molar ratio on the structure of borosilicate bioactive glass (BBG) and to investigate the effect of structural alterations on its ions release and biological effects. Structural descriptor a theoretical structural descriptor that estimates the overall strength of the glass network (Fnet) was calculated from the simulated data, and the linear relationships ofFnetwith B and Mg releasing rate in deionized water and simulated body fluid were built.In vitromineralization experiments showed that all three BBGs could generate hydroxyapatite and the release of some network modifier ions such as Mg would be regulated by the B/Si ratio.In vitrocellular experiments revealed that the BBG sample with a composition of 1.25B (6Na2O-8K2O-8MgO-22CaO-22.5B2O3-2P2O5-31.5SiO2) promoted the proliferation and osteogenic differentiation of rat bone marrow mesenchymal stem cells, and significantly enhanced the expression of osteogenesis-related genes such as osteopontin, which might be related to the release of Mg at an early stage.