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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Bockowski, Michal
Institute of High Pressure Physics
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (22/22 displayed)
- 2024Explaining an anomalous pressure dependence of shear modulus in germanate glasses based on Reverse Monte Carlo modelling
- 2024Explaining an anomalous pressure dependence of shear modulus in germanate glasses based on Reverse Monte Carlo modelling
- 2024History matters for glass structure and mechanical properties
- 2023Evolution of the Growth Mode and Its Consequences during Bulk Crystallization of GaNcitations
- 2022Novel High-Pressure Nanocomposites for Cathode Materials in Sodium Batteriescitations
- 2022Thermal conduction in a densified oxide glasscitations
- 2022Thermal conduction in a densified oxide glass:Insights from lattice dynamicscitations
- 2021Vibrational disorder and densification-induced homogenization of local elasticity in silicate glassescitations
- 2021Thermal conductivity of densified borosilicate glassescitations
- 2021Indentation Response of Calcium Aluminoborosilicate Glasses Subjected to Humid Aging and Hot Compressioncitations
- 2021Volume relaxation in a borosilicate glass hot compressed by three different methodscitations
- 2020Composition and pressure effects on the structure, elastic properties and hardness of aluminoborosilicate glasscitations
- 2020Achieving ultrahigh crack resistance in glass through humid agingcitations
- 2020Volume relaxation in a borosilicate glass hot compressed by three different methodscitations
- 2019Luminescence behaviour of Eu 3+ in hot-compressed silicate glassescitations
- 2019Revisiting the Dependence of Poisson’s Ratio on Liquid Fragility and Atomic Packing Density in Oxide Glassescitations
- 2019(Invited) Advances in Ion Implantation of GaN and AlN
- 2018Deformation and cracking behavior of La2O3-doped oxide glasses with high Poisson's ratiocitations
- 2017Thermal Conductivity of Foam Glasses Prepared using High Pressure Sintering
- 2017Foaming Glass Using High Pressure Sintering
- 2016Structure and mechanical properties of compressed sodium aluminosilicate glassescitations
- 2014Pressure-Induced Changes in Inter-Diffusivity and Compressive Stress in Chemically Strengthened Glass
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article
Explaining an anomalous pressure dependence of shear modulus in germanate glasses based on Reverse Monte Carlo modelling
Abstract
Unlike traditional silicate glasses, germanate glasses often feature non-monotonic variations in material properties (e.g., elastic moduli and glass transition temperature) with varying chemical composition, temperature, and pressure. However, the underlying atomic-scale structural origins remain poorly understood. This is because, in most oxide glasses, the structural changes are quantified through solid-state NMR spectroscopy, but unfortunately the only NMR active germanium isotope ($^{73}$Ge) has very unfavorable NMR properties. Here, we circumvent this problem by using high-energy X-ray and neutron total scattering coupled with ab initio molecular dynamics simulations as input for Reverse Monte Carlo modeling. In detail, we study the structure and properties of two sodium germanate glasses (10Na$_2$O-90GeO$_2$ and 20Na$_2$O-80GeO$_2$) subjected to permanent densification through hot compression up to 2 GPa at the glass transition temperature. While density as well as Young's and bulk modulus increase with pressure as expected, shear modulus first increases and then decreases slightly at higher pressures. The refined atomistic structure models suggest that the glasses feature a distribution of 4, 5, and 6 coordinated Ge with a majority of 4 and 5 coordinated species. Only minor changes in the Ge–O coordination occur upon hot compression, but a notable transformation of edge- to corner-sharing Ge-polyhedra is found. This anomalous polyhedral packing causes a lower number of angular constraints upon higher pressure treatment, explaining the non-monotonic trend of shear modulus with pressure. We also find that the rings become smaller and less circular upon compression, contributing to the volumetric compaction. These findings may aid the future design of germanate glasses with tailored properties and the general understanding of structure-property relations in oxide glasses.