Crystalline SiO2 Research Articles

Unraveling the electronic properties in SiO2 under ultrafast laser irradiation

First-principles simulations were conducted to explore various electronic properties of crystalline SiO2 (α-quartz) under ultrafast laser irradiation. Employing Density Functional Perturbation Theory and the many-body (GW) approximation, we calculated the impact of thermally excited electrons on the electronic specific heat, electron pressure, effective mass, deformation potential, electron-phonon coupling and electron relaxation time of quartz, covering a wide range of electron temperatures, up to 100,000 K. We show that the electron-phonon relaxation time of highly-excited quartz becomes twice faster compared to low-excited states. The deformation potential, which dictates atomic displacement, has a non-monotonic behavior with a well-pronounced minimum at around 16,000 K (2.7 × 1021 cm−3 of excited electrons) where the bond ionicity of the Si-O starts decreasing followed by a cohesion loss at 35,000 K due to the pressure exerted by the excited electrons on the lattice. Consequently, our calculated data, illustrating the evolution of physical parameters, can facilitate simulations of laser-matter interactions and provide predictive insights into the behavior of quartz under experimental conditions.

Producing a siliceous ferroalloy from a mixture of amorphous rocks

The main silicon-containing component in a charge during ferrosilicon smelting is quartzite. The carbothermic reduction rate of the crystalline structure SiO2 has a limitation associated with a fixed energy reserve of silicon-oxygen bond. The reactive capacity of silica can be increased by using its amorphous form instead of the crystalline SiO2. The amorphous form of silica has a higher dispersion, greater free surface energy, and, consequently, a more active degree of entering into a reaction. Such silica-containing materials include amorphous rocks: diatomite, opoka, tripoli. The article presents the results of experimental studies of electrothermal ferrosilicon production from a mixture of amorphous rocks (tripoli, opoka, diatomite with a mass ratio of 1:1:1).It is established that when smelting the mixture of amorphous rocks containing 77 % SiO2, 7.9 % Al2O3, 5.2 % Σ CaO and MgO, 4 % Σ K2O Na2O, 3.3 % Fe2O3, 1.3 % CaCO3, 0.9 % CaSO4, 0.4 % others, three ferrosilicon grades are formed: FeSi25 (22–29 % Si), FeSi45 (41–47 % Si), FeSi50 (47–52 % Si) with the extraction degree of 70–87.6 % silicon into the alloy. Moreover, the ferrosilicon grade decreases with an increase in steel shavings in the charge from 21.9-31.4 % to 33–35 %. In comparison with ferrosilicon smelting from a standard charge containing quartzite with the crystalline form of SiO2, steel shavings and coke, ferrosilicon production from the mixture of amorphous rocks allows to increase the process rate by 17.5–21.6 %. It is possible to increase the silicon extraction degree into the alloy from 80-85 %–94.5 % if its final stage is carried out in the resistance mode. Widespread occurrence in nature, favorable conditions of occurrence, low cost, high reactive capacity are favorable factors for using amorphous rocks in the production of ferroalloys.

Effects of Fineness and Morphology of Quartz in Siliceous Limestone on the Calcination Process and Quality of Cement Clinker.

With the increasing depletion of high-quality raw materials, siliceous limestone, sandstone and other hard-to-burn raw materials containing crystalline SiO2 are gradually being used to produce clinker. This study investigates the influence of the quartz content and particle size in siliceous limestone on the calcination process and the resultant quality of cement clinker. Two different siliceous limestones were grinded to different fineness, and calcinated with some other materials. The content of the clinkers was analyzed with the XRD-Rietveld method and the microstructure of the clinkers was observed with laser scanning confocal microscopy (LSCM) and field emission scanning electron microscopy (FESEM). Three key outcomes of this study provide new insights on the use of siliceous limestone in cement production, namely that (i) reducing the fineness values of siliceous limestone from 15% to 0% of residue on a 0.08 mm sieve decreases the quantity of these larger quartz particles, resulting in an increase in C3S content by up to 8% and an increase in 28d compressive strength by up to 4.4 Mpa, which is 62.30 Mpa; (ii) the morphology of quartz-either as chert nodules or single crystals-affects the microstructure of C2S clusters in clinker, finding that chert nodules result in clusters with more intermediate phases, whereas large single crystals lead to denser clusters; (iii) the sufficient fineness values of siliceous limestone SL1 and SL2 are 5% and 7% of residue on a 0.08 mm sieve, respectively, which can produce a clinker with a 28d compressive strength greater than 60 Mpa, indicating that for different kinds of quartz in siliceous limestone, there is an optimum grinding solution that can achieve a balance between clinker quality and energy consumption without having to grind siliceous limestone to very fine grades.

On the high temperature oxidation of MoSi2 particles with boron addition

Boron doped MoSi2 particles have been envisioned as sacrificial particles for self-healing thermal barrier coatings (TBCs) but their oxidation behaviour is yet not well understood. In this work, oxidation of MoSi2 based particle is studied in the temperature range of 1050–1200 °C. The oxidation proceeds from a transient to a steady-state oxidation stage. The kinetics during steady-state oxidation is captured with a thermal diffusion-based model. As compared to the oxidation of pure MoSi2 particles, the addition of boron strongly enhances the silica formation. Also, a finer dispersion of MoBx in the MoSi2 matrix accelerates the formation of silica. The oxide growth rate constant increases proportional with the boron content of the MoSi2 particles. This enhanced oxidation is related to the microstructure of the oxide scale. Upon oxidation, boron yields B2O3, which promptly merge with SiO2 to form amorphous borosilicate, hindering the formation of crystalline SiO2. Consequently, the migration of oxygen in the borosilicate oxide scale is faster than in the silica oxide scale on pure MoSi2 particles.

The effect of degree of sintering on the structural and mechanical properties of Si3N4–SiO2 glass ceramics

Silica-based glass ceramics have been extensively used in biomedical applications due to their superior biocompatibility and controllable properties. However, their low mechanical strength limits their application. This could be addressed by optimizing the crystalline phase which determines their final properties. Silicon nitride has attracted attention due to its combination of good mechanical and biological properties. Therefore, to combine the advantage of silica-based glass and silicon nitride ceramic, this study developed a silicon nitride-silicon dioxide (Si3N4–SiO2) glass ceramics. The effects of spark plasma sintering parameters on the structural and mechanical properties of Si3N4–SiO2 glass ceramics were investigated. Full densification was reached at a sintering temperature of 1300 °C, a holding time of 10 min and an applied pressure of 80 MPa (relative density = 99.19 %). No silicon oxynitride (Si2N2O) crystalline phase was formed in the sintered glass ceramics, as confirmed by XRD. The interface between the β-Si3N4 crystalline and amorphous SiO2 was investigated by HRTEM, and the results indicated that an amorphous interfacial oxide was formed at the interface. The mechanical properties increased with increasing sintering temperature, as a result of the increased density. The Si3N4–SiO2 glass ceramics sintered at 1500 °C exhibited the highest value of toughness and flexural strength, at 4.6 ± 0.28 MPa m1/2 and 360 ± 27 MPa. The indentation cracks observed by SEM showed that the large β-Si3N4 grains promoted crack deflection, while the equiaxed Si3N4 grains with a lower aspect ratio led to transgranular fracture. The mechanical properties of these Si3N4–SiO2 glass ceramics are comparable to commercial glass ceramics, indicating their promising aspects in biomedical applications.

Mechanical properties and microstructure evolution of KD‐SA SiCf/BN/SiC CMCs oxidized at different temperatures

AbstractSilicon carbide fiber‐reinforced SiC ceramic matrix composites (SiCf/SiC CMCs) based on a domestic KD‐SA SiC fiber were exposed to a wet oxygen atmosphere for 135 h at 800, 1100, and 1300°C. The evolution of the microstructure and mechanical properties of SiCf/SiC CMCs have been systematically investigated following oxidation. For weight change, CMC‐1300 showed the greatest gain (0.394%), followed by CMC‐1100 (0.356%) and CMC‐800 (0.149%). The volatilization of boron oxide (B2O3) combined with the slight oxidation of the SiC matrix at 800°C caused crack deflection and fiber pull‐out. The complete dissipation of the interphase could be found when the oxidation temperature increases to 1100°C, generated a fracture surface with brittle fracture characteristics. At 1300°C, crystalline SiO2 hindered oxygen diffusion, with evidence of fiber pull‐out. Based on thermodynamic calculations and microscopic observations, we propose a mechanism to explain the thermal degradation of SiCf/SiC CMCs. This work offers valuable guidance for the fabrication of SiCf/SiC CMCs that are suitable for high‐temperature applications.

Formation of magnetic nanoclusters in Fe implanted amorphous and crystalline SiO2

Conversion electron Mössbauer Spectroscopy (CEMS) studies have been conducted on Fe implanted amorphous and crystalline SiO2 which were annealed in air up to a temperature of 1000oC. For both samples, dramatic changes set in after the 1000oC anneal and the CEM spectra are dominated by strong ferromagnetic sextets. In the amorphous sample, the sextet is characterized by magnetic hyperfine fields of 33T, 31T and 29 T, consistent with the formation α-Fe nanoclusters. In the crystalline sample the ferromagnetic sextet has spectral parameters of δ = 0.38(3) mm/s and Bhf = 52.3T, consistent with formation of α-Fe2O3 clusters, reflecting the precipitation of the implanted Fe into such clusters. The line ratios of lines 1, 2 and 3 (and 6, 5 and 4) of the sextet are 3:4:1, reflecting alignment of the magnetic moment of the precipitates normal to the c-axis of the sample surface.

OCCUPATIONAL RISK ASSESSMENT TO EXPOSURE OF RESPIRABLE CRYSTALLINE SiO2 AT CEMENT MANUFACTURING

OCCUPATIONAL RISK ASSESSMENT TO EXPOSURE OF RESPIRABLE CRYSTALLINE SiO2 AT CEMENT MANUFACTURING

Thermal transport mechanism of 4H–SiC/SiO2 heterostructures: a molecular dynamics study

Silicon carbide (SiC) is widely used in high-frequency, high-speed, and high-power applications such as power electronics, rail transportation, new energy vehicles, and aerospace. However, the thermal properties of the SiC/SiO2 interface, which is commonly found in SiC-based devices, are not yet fully understood. This study aims to investigate the influence of temperature and interface coupling strength on the interface thermal resistance (ITR) of 4H-SiC/SiO2 using non-equilibrium molecular dynamics simulations. Both crystalline and amorphous SiO2, as well as two interface contact modes (Si-terminated and C-terminated), have also been considered. The results reveal that the ITR of 4H-SiC/SiO2 is significantly affected by the interface coupling strength and contact modes. Under strong interface coupling conditions, the ITR for Si-terminated and C-terminated contacts modes of 4H-SiC/SiO2 interfaces are 8.077 × 10−10 m2KW−1 and 6.835 × 10−10 m2KW−1, respectively. However, under weak interface coupling conditions, these values increase to 10.142 × 10−10 m2KW−1 and 7.785 × 10−10 m2KW−1, respectively. Regardless of whether SiO2 is crystalline or amorphous, the ITR of the 4H-SiC/SiO2 interface exhibits a similar trend with increasing temperature (from 300 to 700 K). Additionally, the ITR of the amorphous SiO2 interface is smaller than that of the crystalline SiO2 interface under both strong and weak coupling conditions. To gain insights into the heat transport mechanism, the phonon density of states was analyzed to examine the phonon spectral characteristics under varying coupling strengths. These findings have implications for enhancing the thermal management and heat dissipation of SiC devices, providing a framework for controlling interface phonon scattering, and informing the thermal design of nanodevices.

Ablation resistance of ZrC coating modified by polymer-derived SiHfOC ceramic microspheres at ultrahigh temperature

Polymer-derived ceramics (PDCs) method opens up new possibilities for the preparation of novel multiphase ceramic nanocomposites owing to the molecular design of the precursors at the nanoscale level. In the current work, ZrC coatings incorporated with polymer-derived ceramic microspheres (CMS), SiHfOC_CMS, were deposited to enhance the ablation resistance by supersonic atmosphere plasma spraying. Upon 10.0 MW·m–2 plasma ablation at above 3000 °C, the linear ablation rate of ZrC-SiHfOC_CMS coating was reduced to 0.20 µm·s–1, 62% lower than that of the pristine ZrC coating. The improvement was ascribed to the presentence of viscous SiO2/HfO2 molten mixed phase, rather than HfSiO4, which can effectively seal pinholes and cracks. Moreover, the in-situ generated crystalline SiO2 had a lower oxygen diffusion rate than amorphous SiO2, meanwhile, m-HfO2 could improve the stability of SiO2 glassy film, thus further enhancing the ablation resistance.

Study on the mechanism of the difference in flotation performance between fine-grained crystalline SiO<sub>2</sub> and amorphous SiO<sub>2</sub>

Numerous minerals found in nature contain silica, including quartz, cristobalite, opal, etc. They have the same chemical composition but different crystal structures, and this phenomenon is called “polymorphism” in mineralogy. For these polymorphic and multi-like minerals, in the flotation process, will it directly or indirectly affect the flotation effect. Based on this, this study mainly explores the difference between crystalline SiO<sub>2</sub> and amorphous SiO<sub>2</sub> in flotation. In this study, two crystal forms of SiO<sub>2</sub> were subjected to flotation and adsorption capacity tests. FTIR, other test techniques, the chemical calculation of the flotation solution, and the theoretical calculation of the DLVO can all be used to provide an explanation. Finally, in the flotation experiment, the feedbacks of the two minerals to the change of the pH value of the pulp and the change of the concentration of the reagent are different. Through the comprehensive analysis of the adsorption capacity test and semi-quantitative calculation of the infrared spectrum, the adsorption capacity of crystalline SiO<sub>2</sub> to drugs is about 23% higher than amorphous SiO<sub>2</sub>. Furthermore, during the flotation process, the amorphous SiO<sub>2</sub> particles will agglomerate together and entrain into the foam through, resulting in concentrate pollution. So amorphous SiO<sub>2</sub> will undoubtedly increase the difficulty of flotation.

In Situ Crystallization of SiO Spherical Nanocrystals in Optical Fibers

Extreme synthesis conditions can lead to discover materials and phenomena that are unknown under standard synthesis laboratory conditions. The particularities of the optical fiber fabrication, such as extreme temperatures, quenching heat treatments and the pressure generated during fiber drawing, among others, can be leveraged to explore novel phenomena at the nanoscale when optical fibers are engineered by nanoparticle doping. In this work, we demonstrate that starting from tetragonal cubic-shaped YPO4 nanocrystals contained into a silica-based optical fiber core, with a silica-based glass composition slightly modified with Ge P, and Al, it is possible to nucleate isolated spherical-shaped SiO nanocrystals by controlling fiber drawing temperature. This work demonstrates the existence of crystalline SiO, discussing the possible formation mechanism in detail, which addes new knowledge to silicon oxide family. Moreover, we show the suitability of using SiO nanocrystals for fabricating Rayleigh scattering enhanced optical fibers that can be applied for distributed sensing applications.

Influence of ash species on particle size dependence of water- and citric-acid-soluble potassium concentrations of woody biomass combustion ashes with low potassium content

The dependence of the concentrations of water- and citric-acid-soluble potassium on particle size was investigated for two types of low-potassium-content woody biomass combustion ash discharged from different biomass power plants. For both types of ash, the potassium concentration increased as the median diameter decreased; crystalline potassium, such as KCl and K2SO4, was identified more in fine combustion ash, whereas crystalline SiO2 and CaCO3 were abundant in coarse ash. The potassium components could be present as finer ash particles or as cover over coarser ash particles composed of crystalline SiO2 surfaces. Differences in the existence forms of the potassium components caused differences in the dependence of potassium concentration on the median diameter of the ash. Moreover, the methods used to calculate the particle size distributions of three ash particle components (water-soluble, citric-acid-soluble, and insoluble) in the ash residues can be used to evaluate the particle size dependence of both potassium concentrations to some extent. The potassium enrichment process demonstrated in this study could be successfully performed on a factory scale via the surface grinding of bottom ash. The collected fine grinding debris containing rich potassium, separated from the surface of the silica, was found to be possibly reusable as fertilizer.

The characteristics of plasma lipids in silicosis rat models were studied based on lipid metabolomics

Objective: To screen the differential metabolites and metabolic pathways in silicosis model by analyzing plasma metabolomics of silicosis rats. Methods: In May 2021, twenty male SD rats were randomly divided into control group (C), 1-week silicosis group (S1W), 2-week silicosis group (S2W) and 4-week silicosis group (S4W), with 5 rats in each group. Rats were intratracheally instillated with 1ml crystalline SiO(2) suspension (50 mg/ml) or normal saline and were sacrificed after 1 week, 2 weeks and 4 weeks, HE staining was used to observe the lung pathology of rats. The plasma samples were analyzed by UPLC-IMS-QTOF mass spectrometer to screen out potential differential metabolites in silicosis models and analyze their lipid enrichment. Results: HE results showed that nodules formed in the silicosis model group, and with the extension of time, nodules gradually increased and alveolar structure was gradually destroyed. Metabolomics screened out 14 differential metabolites in S1W, 24 in S2W, and 28 in S4W, and found that the differential metabolites were mainly enriched in the metabolism of glycerophospholipid metabolism, fatty acid degradation, Glycosylphosphatidylinositol (GPI) -anchor biosynthesis, fatty acid elongation and other metabolic pathways. Conclusion: There are significant changes in plasma lipid metabolites in silicosis rat models.

Fabricating physicochemical microstructures with super hydrophilicity on Cf/SiC composites surface via picosecond-laser induced ablation

Cf/SiC composites are advanced high-temperature materials for thermal protection and high-performance braking systems in the aerospace industry. Their surface wettability significantly affects the adhesion properties of the coatings. This study investigated the physical and chemical transformations of Cf/SiC composites during picosecond laser ablation and successfully fabricated micro-structured surfaces with super-hydrophilicity. The findings revealed that three-scale microstructures were formed on Cf/SiC composites after picosecond laser-ablating, which were orderly composed of regular convex plates (20–60 μm), agglomerate ablative products (1–5 μm), and nano particles (100–500 nm). The relative content of O on the laser-ablating surface was mostly>25%, both Si–O and Si–C bonds were found on the Si2p peak of the XPS spectrum. The primary content of the ablative products was crystalline and amorphous SiO2, resulting from the oxidation of the SiC matrix. The initial surface of the Cf/SiC composites was hydrophobic, and its contact angle was 92.7°. Conversely, the laser-ablating surfaces showed significant absorption of water droplets owing to the presence of the hydroxyl group in the amorphous SiO2, and the droplets quickly disappeared from the surface through the micro “tubular channels” caused by carbon fibers sublimating and oxidizing under the high laser temperature. Consequently, the superhydrophilic surfaces of the Cf/SiC composites were obtained via picosecond laser ablation, and the motion of the droplets was closely related to the laser power and scanning distance.

Density-Functional Study of the Si/SiO2 Interfaces in Short-Period Superlattices: Vibrational States and Raman Spectra

Raman spectroscopy has proven its effectiveness as a highly informative and sensitive method for the nondestructive analysis of layered nanostructures and their interfaces. However, there is a lack of information concerning the characteristic phonon modes and their activity in Si/SiO2 nanostructures. In order to overcome this problem, the phonon states and Raman spectra of several Si/SiO2 superlattices (SL) with layer thicknesses varied within 0.5–2 nm are studied using DFT-based computer modeling. Two types of structures with different interfaces between crystalline silicon and SiO2 cristobalite were studied. A relationship between the phonon states of heterosystems and the phonon modes of the initial crystals was established. Estimates of the parameters of deformation potentials are obtained, with the help of which the shifts of phonon frequencies caused by elastic strains in the materials of the SL layers are interpreted. The dependence of intense Raman lines on the SL structure has been studied. Several ways have been proposed to use this information, both for identifying the type of interface and for estimating the structural parameters. The obtained information will be useful for the spectroscopic characterization of the silicon/oxide interfaces.

High-performance Li4SiO4 sorbents prepared from solid waste for CO2 capture

Li4SiO4 shows great promise for cyclic high-temperature CO2 capture due to its excellent stability, high capacity, and low regeneration temperature. However, the practical application of Li4SiO4 is mainly limited by the high cost of raw materials, particularly lithium resources. Additionally, the heavy use of lithium-ion batteries (LIBs) in developing renewable energy sources raises concerns about the disposal of many waste LIBs. This article synthesized Li4SiO4 sorbent (BR-Li4SiO4) using spent lithium cobalt oxide (LiCoO2) cathodes and rice husk ash for CO2 capture. Meanwhile, we also prepared R-Li4SiO4/P-Li4SiO4 using commercial Li2CO3 and rice husk ash/commercial crystalline SiO2 as a comparison. The results show that the BR-Li4SiO4 sorbent exhibited excellent CO2 capture capacity and cycling stability at 675 °C, maintaining a stable capacity of 0.28 g/g under 100% CO2 after 30 cycles. BR-Li4SiO4 also demonstrated significantly reduced costs and a superior microstructure compared to R-Li4SiO4 and P-Li4SiO4. Furthermore, the impact of a simulated flue gas containing 15% CO2 and 10% H2O on Li4SiO4 adsorption was investigated. It was found that the adsorption of CO2 was decreased at low CO2 concentrations, but the addition of 10% H2O showed a slight enhancement in CO2 adsorption. Under a mixture of 15% CO2 + 10% H2O (balanced with N2), the maximum adsorption capacity of BR-Li4SiO4 was 0.17 g/g, and its optimal adsorption temperature decreased by 50 °C to 625 °C compared to 15% CO2. Therefore, this study will provide valuable insights into the industrial application of Li4SiO4 in CO2 adsorption.

Amorphous SiO2 Surface Irregularities and their Influence on Liquid Molecule Adsorption by Molecular Dynamics Analysis

As the semiconductor industry relentlessly reduces device sizes, efficient and precise cleaning processes have become increasingly critical to address challenges such as nanostructure stiction. Gaining insight into the molecular behavior of water and isopropyl alcohol (IPA) on silicon dioxide (SiO2) surfaces is essential for controlling semiconductor wet cleaning processes. This study investigated the interactions between these liquids and SiO2 surfaces. Using molecular dynamics (MD) simulations, we examined the adsorption behavior of water and IPA molecules on both amorphous and crystalline SiO2 (a-SiO2 and c-SiO2) surfaces. Our findings reveal a preferential adsorption of water molecules on a-SiO2 surfaces compared to c-SiO2. This preference can be ascribed to the irregularity of the a-SiO2 surface, which results in the presence of silanol groups that remain inaccessible to the liquid molecules. In contrast, the c-SiO2 surface exhibits a more uniform and accessible structure. This study not only imparts crucial insights into the molecular behavior of water and IPA on SiO2 surfaces but also provides valuable information for future enhancements and optimization of semiconductor wet surface preparation, cleaning, etching and drying.

Morphological engineering of SiO2 interlayer towards meliorative dielectric and thermal properties in β‐SiCw@SiO2/PVDF composites

AbstractPolymers with high thermal conductivity (TC) and dielectric constant (ε) but low dielectric loss show enormously potential applications in electrical power systems. To enhance the ε and TC while significantly suppressing the loss of β‐silicon carbide whisker (β‐SiCw)/polyvinylidene fluoride (PVDF), in this study, SiO2 shells with different morphologies were constructed on the superficies of β‐SiCw via a facile oxidation method in air atmosphere. The SiO2 shell’ morphology on the TC and dielectric performances of the β‐SiCw@SiO2/PVDF are systematically explored as a function of the frequency and filler loading. The β‐SiCw@SiO2/PVDF demonstrate astonishingly restricted loss and meliorative TC when compared to the β‐SiCw/PVDF because the SiO2 shell not only suppresses the β‐SiCw from direct contact with one another and impedes the long‐distance charges migration thereby resulting in rather low loss and leakage conductivity, but also restrains the thermal interfacial resistance via increased interfacial compatibility and interactions. The concurrent enhancement effect in the ε and TC but low loss of the composites is more evident in the crystalline SiO2 interlayer with a high TC compared with amorphous one. These results provide insight into the exploration of composite nanodielectrics with large TC and ε but low loss for applications in electrical power systems.Highlights Core@shell structured β‐SiCw@SiO2/PVDF were obtained by a facile oxidation. The great reduction in both loss and conductivity is attributed to the SiO2 shell. Crystalline SiO2 shell can improve the composites' thermal conductivity. The SiO2 shell prevents long‐range carrier migration.

Modelling the impact of configurational entropy on the stability of amorphous SiO2

Configurational entropy has been computed to assess its impact on stabilizing the amorphous structure of SiO2. Using a range of atomic scale modelling methods, the structure of crystalline and amorphous SiO2 has been assessed and the configurational entropy associated with the structures observed at varying temperatures has allowed computation of the associated Shannon entropy. Combined with the enthalpy terms generated from density functional theory, a robust method for assessing the stability of crystalline and amorphous structures has been presented that can be used in future work assessing the role of dopants, glass forming additions and radiation damage. Future work will include the vibrational entropy term, to capture the full entropic contribution to amorphisation.