Phase field modeling precipitation of β-phase and mechanical properties change in Zr–Nb alloys under neutron irradiation

ABSTRACT

We study microstructure transformation in Zr–Nb system under neutron irradiation and its mechanical properties change under mechanical loads in a form of shear deformation by using phase field methodology. The developed phase field approach takes into account defects dynamics based on reaction rate theory and elastic contribution to study mechanical properties change. A numerical modeling is provided in three stages: sample preparation, irradiation of the prepared sample and mechanical loading of the irradiated sample. A precipitation of β-Niobium particles of the size of several nanometers is discussed. Results of phase field modeling indicate that β-Niobium particles grow slowly during irradiation due to point defects rearrangement. Statistical analysis of dynamics of radiation-induced microstructure transformations is provided. Simulation results of shear deformation of pre-irradiated and post-irradiated alloys are discussed. Maps of local distribution of strain and stress and strain–stress curves are obtained. Results are verified with experimental data.     

Voltage control of millimeter-wave ferromagnetic resonance in multiferroic heterostructures thin films

Multiferroic heterostructures thin films, SrBi₂Ta₂O₉/BaFe₁₂O₁₉ (SBT/BaM), were grown on Pt/TiO₂/SiO₂/Si substrates by using magnetron sputtering and Sol-gel ways. X-ray diffractometer (XRD) analysis showed that only SBT and BaM phases appeared in the multiferroic heterostructures. Magnetic hysteresis loops revealed that the saturated magnetization was 3.7 kG and the M-H characteristics of SBT/BaM were not influenced by the presence of the SBT layer. Ferromagnetic resonance (FMR) measurement showed the lowest FMR linewidth of 205 Oe at 50 GHz. Additionally, when direct-current electric field was applied to SBT layer, as a result of which mechanical deformation of the ferromagnetic layer occurred that leads to a frequency shift in ferromagnetic resonance and the magnetoelectric coupling effect (α) is 1.8 MHz*cm/kV. Our findings indicate that these SBT/BaM thin films have a significant potential for the usage in millimeter wave tunable devices.     

One-dimensional displacement of active matter on curved substrates

We analytically find the diffusion of overdamped active Brownian particles (ABPs) constrained to move along curved one-dimensional channels. The autonomous motion of these particles is achieved by a projection of their internal propulsion force along the channels' long section. In particular, the diffusion of ABPs moving on one-dimensional channels with a form of a circle, an ellipse, and a limacon of second order is analysed. To characterise the effect of substrate's geometry and self-propulsion on their diffusion, analytical expressions for the ABPs short- and long-time variances, as well as their steady angular probability density functions are offered. Curvature effects are found to reduce the time an ABP reaches its steady state. Our theoretical results are validated using Brownian dynamics simulations. This model may be relevant for experiments dealing with catalytic driven systems, bacteria, and tumour cell dispersion in one-dimensional channels.     

Information percolation and cutoff for the random‐cluster model

We consider the random‐cluster model (RCM) on with parameters p∈(0,1) and q ≥ 1. This is a generalization of the standard bond percolation (with edges open independently with probability p) which is biased by a factor q raised to the number of connected components. We study the well‐known Fortuin‐Kasteleyn (FK)‐dynamics on this model where the update at an edge depends on the global geometry of the system unlike the Glauber heat‐bath dynamics for spin systems, and prove that for all small enough p (depending on the dimension) and any q>1, the FK‐dynamics exhibits the cutoff phenomenon at with a window size , where λ_∞ is the large n limit of the spectral gap of the process. Our proof extends the information percolation framework of Lubetzky and Sly to the RCM and also relies on the arguments of Blanca and Sinclair who proved a sharp mixing time bound for the planar version. A key aspect of our proof is the analysis of the effect of a sequence of dependent (across time) Bernoulli percolations extracted from the graphical construction of the dynamics, on how information propagates.     

Assessment of antioxidant,cytotoxicity, antibacterial,antifungal, and cutaneous wound healing activities of green synthesized manganese nanoparticles using Ziziphora clinopodioides Lam leaves under in vitro and in vivo condition

In recent decades, nanotechnology is growing rapidly owing to its widespread application in medical science. The aim of the experiment was the evaluation of cytotoxicity, antioxidant, antibacterial, antifungal, and cutaneous wound healing activities of green synthesized manganese nanoparticles using Ziziphora clinopodioides Lam leaves (MnNPs@ZC). The synthesized MnNPs@ZC were characterized using different techniques including UV–Vis., FT-IR spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive X-ray spectrometry (EDS). According to the XRD analysis, 48.10 nm was measured for the crystal size of nanoparticles. SEM images exhibited a uniform spherical morphology and size in the range of 47.58 to 70.26 nm for the biosynthesized nanoparticles. MnNPs@ZC revealed excellent non-cytotoxicity effect against human umbilical vein endothelial cells, antioxidant activity against DPPH, antibacterial properties against Gram-negative bacteria (Salmonella typhimurium, Pseudomonas aeruginosa, and Escherichia coli O157:H7) and Gram-positive bacteria (Streptococcus pneumonia, Staphylococcus aureus, and Bacillus subtilis), and antifungal potentials against Candida glabrata, Candida albicans, Candida guilliermondii, and Candida krusei. Also, use of MnNPs@ZC ointment decreased significantly (p ≤ 0.01) the wound area, total cells, neutrophil, and lymphocyte and raised significantly (p ≤ 0.01) the wound contracture, hydroxyl proline, hexosamine, hexuronic acid, fibrocyte, and fibrocytes/fibroblast rate compared to other groups in experimental animals. In conclusion, synthesized MnNPs@ZC indicated antibacterial, antifungal, non-cytotoxicity, antioxidant, and cutaneous wound healing effects in a dose-depended manner. After confirming in the clinical trials, these nanoparticles can be used in human for the treatment of cutaneous and infectious diseases.     

Application of titanium nanoparticles containing natural compounds in cutaneous wound healing

The aim of the study was the rapid green synthesis of titanium nanoparticles using the aqueous extract of Falcaria vulgaris leaves (TiNPs@FV) and exploring their antioxidant, cytotoxicity, antifungal, antibacterial, and cutaneous wound healing activities under in vitro and in vivo condition. These nanoparticles were characterized by UV-Vis, Fourier transform-infrared(FT-IR), X-ray diffraction XRD), field emission-scanning electron microscopy FE-SEM), and transmission electron microscopy TEM) analyses. The synthesized TiNPs@FV had great cell viability on human umbilical vein endothelial cells and indicted this method was nontoxic. DPPH (2,2-diphenyl-1-picrylhydrazyl) test revealed similar antioxidant potentials for F. vulgaris, TiNPs@FV, and butylated hydroxytoluene. All data of antibacterial, antifungal, and cutaneous wound healing tests were analyzed by SPSS 22 software. In the antimicrobial part of this study, TiNPs@FV indicated higher antifungal and antibacterial effects than all standard antibiotics (p ≤ 0.01). Minimal inhibitory concentration (MIC) and minimal fungicidal concentration of TiNPs@FV against all fungi were at 2–4 mg/mL and 2-8 mg/mL ranges, respectively. But, MIC and minimal bactericidal concentration of TiNPs@FV against all bacteria were at 2-8 mg/mL and 2-16 mg/mL ranges, respectively. In the part of cutaneous wound healing, use of TiNPs@FV ointment significantly (p ≤ 0.01) raised the wound contracture, vessel, hydroxyl proline, hexuronic acid, hexosamine, fibrocyte, and fibrocytes/fibroblast rate and significantly (p ≤ 0.01) decreased the wound area, total cells, neutrophil, and lymphocyte compared to other groups in rats. The results of FT-IR, UV-Vis, XRD, TEM, and FE-SEM confirm that the aqueous extract of F. vulgaris leaves can be used to yield titanium nanoparticles with a notable amount of remedial effects.     

Fluorine in Small Molecules: Fluoromethyl Azide and Chalcogenocyanates

Fluoromethylating agents are a highly studied and controversely discussed class of compounds. New fluoromethyl pseudohalides FCH₂N₃, FCH₂SCN, and FCH₂SeCN were prepared for the first time and their physical and spectroscopic properties investigated. Their synthesis is performed conveniently by fluoromethylation of the respective silver or potassium pseudohalogenides with fluoroiodomethane.