Machine Learning Techniques to Analyze the Influence of Silica on the Physio-Chemical Properties of Aerogels.

This study explores the application of machine learning techniques, specifically principal component analysis (PCA), to analyze the influence of silica content on the physical and chemical properties of aerogels. Silica aerogels are renowned for their exceptional properties, including high porosity, large surface area, and low thermal conductivity, but their mechanical brittleness poses significant challenges. The study initially utilized cross-correlation analysis to examine the relationships between key properties such as the Brunauer-Emmett-Teller (BET) surface area, pore volume, density, and thermal conductivity.

An extensive assessment of the impacts of BaO on the mechanical and gamma-ray attenuation properties of lead borosilicate glass.

The current work deals with the synthesis of a new glass series with a chemical formula of 5AlO-25PbO-10SiO-(60-x) BO-xBaO; x was represented as 5, 10, 15, and 20 mol%. The FT-IR spectroscopy was used to present the structural modification by rising the BaO concentration within the synthesized glasses. Furthermore, the impacts of BaO substitution for BO on the fabricated borosilicate glasses were investigated using the Makishima-Mackenzie model.

SCAPS-1D Modeling of Hydrogenated Lead-Free CsAgBiBr Double Perovskite Solar Cells with a Remarkable Efficiency of 26.3.

In this investigation, we employ a numerical simulation approach to model a hydrogenated lead-free Cs2AgBiBr6 double perovskite solar cell with a p-i-n inverted structure, utilizing SCAPS-1D. Contrary to traditional lead-based perovskite solar cells, the Cs2AgBiBr6 double perovskite exhibits reduced toxicity and enhanced stability, boasting a maximum power conversion efficiency of 6.37%.

Simulation and Investigation of 26% Efficient and Robust Inverted Planar Perovskite Solar Cells Based on GAFASnI-1%EDAI Films.

A hybrid tin-based perovskite solar cell with -- inverted structure is modeled and simulated using SCAPS. The inverted structure is composed of PEDOT:PSS (as hole transport layer-HTL)/GA0.2FA0.

Numerical Simulation and Optimization of Highly Stable and Efficient Lead-Free Perovskite FACsSnI-Based Solar Cells Using SCAPS.

Formamidinium tin iodide (FASnI3)-based perovskite solar cells (PSCs) have achieved significant progress in the past several years. However, these devices still suffer from low power conversion efficiency (PCE=6%) and poor stability. Recently, Cesium (Cs)-doped Formamidinium tin iodide (FA1−xCsxSnI3) showed enhanced air, thermal, and illumination stability of PSCs.

Study of Concentrated Short Fiber Suspensions in Flows, Using Topological Data Analysis.

The present study addresses the discrete simulation of the flow of concentrated suspensions encountered in the forming processes involving reinforced polymers, and more particularly the statistical characterization and description of the effects of the intense fiber interaction, occurring during the development of the flow induced orientation, on the fibers' geometrical center trajectory. The number of interactions as well as the interaction intensity will depend on the fiber volume fraction and the applied shear, which should affect the stochastic trajectory. Topological data analysis (TDA) will be applied on the geometrical center trajectories of the simulated fiber to prove that a characteristic pattern can be extracted depending on the flow conditions (concentration and shear rate).

Atomistic and mesoscale simulation of sodium and potassium adsorption in cement paste.

An atomistic and mesoscopic assessment of the effect of alkali uptake in cement paste is performed. Semi-grand canonical Monte Carlo simulations indicate that Na and K not only adsorb at the pore surface of calcium silicate hydrates (C-S-H) but also adsorb in the C-S-H hydrated interlayer up to concentrations of the order of 0.05 and 0.

Atomistic modelling of residual stress at UO2 surfaces.

Modelling oxide surface behaviour is of both technological and fundamental interest. In particular, in the case of the UO2 system, which is of major importance in the nuclear industry, it is essential to account for the link between microstructure and macroscopic mechanical properties. Indeed micromechanical models at the mesoscale need to be supplied by the energetic and stress data calculated at the nanoscale.