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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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Jensen, Lars Rosgaard
Aalborg University
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (37/37 displayed)
- 2024Metal-Organic Framework Glass as a Functional Filler Enables Enhanced Performance of Solid-State Polymer Electrolytes for Lithium Metal Batteriescitations
- 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
- 2024Alcohols as modifiers in metal−bis(acetamide) hybrid coordination network glasses
- 2024Crystallinity dependence of thermal and mechanical properties of glass-ceramic foamscitations
- 2023Comparing the effects of Ga2O3 and Al2O3 on the structure and mechanical properties of sodium borate glassescitations
- 2023Comparing the effects of Ga2O3 and Al2O3 on the structure and mechanical properties of sodium borate glassescitations
- 2023Correlating structure with mechanical properties in lithium borophosphate glassescitations
- 2022Influence of phase separation microstructure on the mechanical properties of transparent modifier-free glassescitations
- 2022Fracture energy of high-Poisson’s ratio oxide glassescitations
- 2022Resolving the Conflict between Strength and Toughness in Bioactive Silica–Polymer Hybrid Materialscitations
- 2022Irradiation-induced toughening of calcium aluminoborosilicate glassescitations
- 2021Mechanical properties of hydrated cesium-lithium aluminoborate glassescitations
- 2020Heat conduction in oxide glasses: Balancing diffusons and propagons by network rigiditycitations
- 2020Heat conduction in oxide glasses: Balancing diffusons and propagons by network rigiditycitations
- 2020Achieving ultrahigh crack resistance in glass through humid agingcitations
- 2020Competitive effects of free volume, rigidity, and self-adaptivity on indentation response of silicoaluminoborate glassescitations
- 2020Fracture toughness of a metal–organic framework glasscitations
- 2019Breaking the Limit of Micro-Ductility in Oxide Glassescitations
- 2019Mechanical property optimization of a zinc borate glass by lanthanum dopingcitations
- 2019Electrospinning of nonwoven aerogel-polyethene terephthalate composite fiber mats by pneumatic transportcitations
- 2019Electrospinning of nonwoven aerogel-polyethene terephthalate composite fiber mats by pneumatic transportcitations
- 2018Deformation and cracking behavior of La2O3-doped oxide glasses with high Poisson's ratiocitations
- 2018Structural Impact of Nitrogen Incorporation on Properties of Alkali Germanophosphate Glassescitations
- 2018Nano-phase separation and structural ordering in silica-rich mixed network former glassescitations
- 2018Structural stability of NaPON glass upon heating in air and nitrogencitations
- 2017Mutual-stabilization in chemically bonded graphene oxide–TiO2 heterostructures synthesized by a sol–gel approachcitations
- 2017Dispersion and functionalization of single-walled carbon nanotubes (SWCNTS) for nanocomposite applicationscitations
- 2017Monitoring self-sensing damage of multiple carbon fiber composites using piezoresistivitycitations
- 2016Structure and mechanical properties of compressed sodium aluminosilicate glassescitations
- 2016A molecular dynamics study on the interaction between epoxy and functionalized graphene sheetscitations
- 2016Strain sensing in single carbon fiber epoxy composites by simultaneous in-situ Raman and piezoresistance measurementscitations
- 2013Processing and characterization of polyurethane nanocomposite foam reinforced with montmorillonite-carbon nanotube hybridscitations
- 2013Evaluation of the anisotropic mechanical properties of reinforced polyurethane foamscitations
- 2012Synthesis of clay-carbon nanotube hybridscitations
- 2012Synthesis of clay-carbon nanotube hybrids:Growth of carbon nanotubes in different types of iron modified montmorillonitecitations
- 2005Microscopic Mechanism of reinforcement in single-wall carbon nanotube/polypropylene nanocomposite
Places of action
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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.