| 1. |
- Fabritius-Vilpoux, Kathia, et al.
(författare)
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Ultrastructural changes of bovine tooth surfaces under erosion in presence of biomimetic
- 2021
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Ingår i: Bioinspired, Biomimetic and Nanobiomaterials. - : Thomas Telford Ltd.. - 2045-9866 .- 2045-9858. ; 10:4, s. 132-145
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Tidskriftsartikel (refereegranskat)abstract
- Enamel and dentin are susceptible to acids from food sources leading to dental erosion, a global problem affecting millions of individuals. Particulate hydroxyapatite (HAP) on the tooth surface can influence the effects of acid attacks. Standardized bovine enamel and dentin samples with artificial saliva are used in an in vitro cyclic demineralization-remineralization protocol to analyze the structural changes experienced by tooth surfaces using high-resolution scanning electron microscopy and to evaluate the potential of a HAP-based oral care gel in the protection of teeth from erosive attacks. The interfaces between HAP particle and enamel HAP crystallites are investigated using focused ion beam preparation and transmission electron microscopy. The results show that erosion with phosphoric acid severely affects enamel crystallites and dentin tubules, while artificial saliva leads to remineralization effects. The HAP-gel forms a microscopic layer on both enamel and dentin surfaces. Upon acid exposure, this layer is sacrificed before the native tooth tissues are affected, leading to significantly lower degrees of demineralization compared to the controls. This demonstrates that the use of particulate HAP as a biomaterial in oral care formulations can help protect enamel and dentin surfaces from erosive attacks during meals using a simple and effective protection principle.
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| 2. |
- Katnagallu, Shyam, et al.
(författare)
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Impact of local electrostatic field rearrangement on field ionization
- 2018
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Ingår i: Journal of Physics D. - : IOP PUBLISHING LTD. - 0022-3727 .- 1361-6463. ; 51:10
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Tidskriftsartikel (refereegranskat)abstract
- Field ion microscopy allows for direct imaging of surfaces with true atomic resolution. The high charge density distribution on the surface generates an intense electric field that can induce ionization of gas atoms. We investigate the dynamic nature of the charge and the consequent electrostatic field redistribution following the departure of atoms initially constituting the surface in the form of an ion, a process known as field evaporation. We report on a new algorithm for image processing and tracking of individual atoms on the specimen surface enabling quantitative assessment of shifts in the imaged atomic positions. By combining experimental investigations with molecular dynamics simulations, which include the full electric charge, we confirm that change is directly associated with the rearrangement of the electrostatic field that modifies the imaging gas ionization zone. We derive important considerations for future developments of data reconstruction in 3D field ion microscopy, in particular for precise quantification of lattice strains and characterization of crystalline defects at the atomic scale.
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| 3. |
- Kontis, Paraskevas, et al.
(författare)
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The Role of Oxidized Carbides on Thermal-Mechanical Performance of Polycrystalline Superalloys
- 2018
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Ingår i: Metallurgical and Materials Transactions. A. - : SPRINGER. - 1073-5623 .- 1543-1940. ; 49A:9, s. 4236-4245
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Tidskriftsartikel (refereegranskat)abstract
- Oxidized MC carbides which act as main crack initiation sites in a polycrystalline superalloy under thermal-mechanical fatigue (TMF) conditions at 850 degrees C were studied. Microstructural observations in the TMF tested specimens were compared to findings from bulk samples exposed isothermally in air at 850 degrees C for 30 hours in the absence of any external applied load. Carbides were found to oxidize rapidly after exposure at 850 degrees C for 30 hours resulting in surface eruptions corresponding to oxidation products, from where micro-cracks initiated. Plastic deformation due to volume expansion of the often porous oxidized carbides led to high dislocation densities in the adjacent matrix as revealed by controlled electron channeling contrast imaging. The high dislocation density facilitated the dissolution kinetics of gamma precipitates by segregation and diffusion of chromium and cobalt along the dislocations via pipe diffusion, resulting in the formation of soft recrystallized grains. Atom probe tomography revealed substantial compositional differences between the recrystallized grains and the adjacent undeformed gamma matrix. Similar observations were made for the TMF tested alloy. Our observations provide new insights into the true detrimental role of oxidized MC carbides on the crack initiation performance of polycrystalline superalloys under TMF.
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| 4. |
- Rao, Ziyuan, et al.
(författare)
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Machine learning-enabled high-entropy alloy discovery
- 2022
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Ingår i: Science. - : American Association for the Advancement of Science (AAAS). - 0036-8075 .- 1095-9203. ; 378:6615, s. 78-84
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Tidskriftsartikel (refereegranskat)abstract
- High-entropy alloys are solid solutions of multiple principal elements that are capable of reaching composition and property regimes inaccessible for dilute materials. Discovering those with valuable properties, however, too often relies on serendipity, because thermodynamic alloy design rules alone often fail in high-dimensional composition spaces. We propose an active learning strategy to accelerate the design of high-entropy Invar alloys in a practically infinite compositional space based on very sparse data. Our approach works as a closed-loop, integrating machine learning with density-functional theory, thermodynamic calculations, and experiments. After processing and characterizing 17 new alloys out of millions of possible compositions, we identified two high-entropy Invar alloys with extremely low thermal expansion coefficients around 2 x 10-6 per degree kelvin at 300 kelvin. We believe this to be a suitable pathway for the fast and automated discovery of high-entropy alloys with optimal thermal, magnetic, and electrical properties.
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| 5. |
- Varnik, Fathollah, et al.
(författare)
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Correlations of plasticity in sheared glasses
- 2014
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Ingår i: Physical Review E. Statistical, Nonlinear, and Soft Matter Physics. - : American physical society. - 1539-3755 .- 1550-2376. ; 89:4, s. 040301-
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Tidskriftsartikel (refereegranskat)abstract
- In a recent paper [Mandal et al., Phys. Rev. E 88, 022129 (2013)], the nature of spatial correlations of plasticity in hard-sphere glasses was addressed both via computer simulations and in experiments. It was found that the experimentally obtained correlations obey a power law, whereas the correlations from simulations are better fitted by an exponential decay. We here provide direct evidence-via simulations of a hard-sphere glass in two dimensions (2D)-that this discrepancy is a consequence of the finite system size in the 3D simulations. By extending the study to a 2D soft disk model at zero temperature [Durian, Phys. Rev. Lett. 75, 4780 (1995)], the robustness of the power-law decay in sheared amorphous solids is underlined. Deviations from a power law occur when either reducing the packing fraction towards the supercooled regime in the case of hard spheres or changing the dissipation mechanism from contact dissipation to a mean-field-type drag in the case of soft disks.
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