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Structural, elastic, electronic, magnetic and thermal properties of XFeO (X = mg, ca and Sr) materials.
Sci Rep
January 2025
Applied Optics Laboratory, Institute of Optics and Precision Mechanics, University Setif 1, Setif, 19000, Algeria.
This prediction evaluates the different physical characteristics of magnetic materials XFeO (X = Mg, Ca and Sr) by using density functional theory (DFT). The generalized gradient approximation (GGA) approach is chosen to define the exchange and correlation potential. The structural study of the compounds XFeO (X = Mg, Ca and Sr) shows that the ferromagnetic phase is the more stable ground state, where all the parameters of the network are given at equilibrium.
View Article and Find Full Text PDFGreen solid lipid nanoparticles by coacervation of fatty acids: An innovative cosmetic ingredient for the delivery of anti-age compounds through the skin.
Int J Pharm
January 2025
University of Turin, Department of Drug Science and Technology, via Pietro Giuria 9, 10125 Turin, Italy; University of Turin, Department of Medical Sciences, Dermatologic Clinic, Via Cherasco 23, 10126 Turin, Italy.
The constant exposure of the skin to internal and external stimuli drives towards skin aging and lost in skin hydration and elasticity. Chronic low-grade inflammation, called inflammaging, and oxidative stress are the leading causes of this phenomenon. Fatty acid coacervation is a preparation method for Solid Lipid Nanoparticles (SLNs), which does not employ solvents, and is associated to low energy consumption.
View Article and Find Full Text PDFStrain-dependent structural, electronic, mechanical, optical and thermoelectric properties of SrNBr perovskites for solar cell applications.
Phys Chem Chem Phys
January 2025
Department of Physics, Riphah International University, Islamabad 44000, Pakistan.
Halide perovskites are a class of materials with excellent potential for solar cell applications due to their excellent optical and electronic properties. In this study, strain-dependent physical properties of SrNBr perovskites are investigated and theoretical results are reported here. The structural properties indicate that SrNBr has a cubic structure.
View Article and Find Full Text PDFSimulation of a liquid drop on a soft substrate.
Eur Phys J E Soft Matter
January 2025
Department of Fundamental Physics, Faculty of Physics, Alzahra University, Tehran, 1993891167, Iran.
A liquid drop resting on a soft substrate is numerically simulated as an energy minimization problem. The elastic substrate is modeled as a cubic lattice of mass-springs, to which an energy term controlling the change of volume is associated. The interfacial energy between three phases of solid, liquid, and vapor is also introduced.
View Article and Find Full Text PDFPhotoelasticity of crystals with the scheelite structure: quantum mechanical calculations.
Acta Crystallogr B Struct Sci Cryst Eng Mater
February 2025
Faculty of Electrical Engineering, Czestochowa University of Technology, 17 Al. Armii Krajowej, Częstochowa, PL-42200, Poland.
We report a complete set of elastic, piezooptic and photoelastic tensor constants of scheelite crystals CaMoO, BaMoO, BaWO and PbWO determined by density functional theory (DFT) calculations using the quantum chemical software package CRYSTAL17. The modulation parameter, i.e.
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