Method of calculating the coherent scattering power of crystals with unknown atomic arrangements and its application in the quantitative phase analysis

Quantitative phase analysis is one of the major applications of X-ray powder diffraction. The essential principle of quantitative phase analysis is that the diffraction intensity of a component phase in a mixture is proportional to its abundance. Nevertheless, the diffraction intensities of the component phases cannot be compared with each other directly since the coherent scattering power per unit cell (or chemical formula) of each component phase is usually different. The coherent scattering power per unit cell of a crystal is well represented by the sum of the squared structure factors, which cannot be calculated directly when the crystal structure data is unavailable. Presented here is a way to approximate the coherent scattering power per unit cell based solely on the unit cell parameters and the chemical contents. This approximation is useful when the atomic coordinates for one or more of the phases in a sample are unavailable. An assessment of the accuracy of the approximation is presented. This assessment indicates that the approximation will likely be within 10% when X-ray powder diffraction data is collected over a sufficient portion of the measurable pattern.

On the stability and layered organization of protein-DNA condensates

Multi-component phase separation is emerging as a key mechanism for the formation of biological condensates that play essential roles in signal sensing and transcriptional regulation. The molecular factors that dictate these condensates' stability and spatial organization are not fully understood, and it remains challenging to predict their microstructures. Using a near-atomistic, chemically accurate force field, we studied the phase behavior of chromatin regulators that are crucial for heterochromatin organization and their interactions with DNA. Our computed phase diagrams recapitulated previous experimental findings on different proteins. They revealed a strong dependence of condensate stability on the protein-DNA mixing ratio as a result of balancing protein-protein interactions and charge neutralization. Notably, a layered organization was observed in condensates formed by mixing HP1, histone H1, and DNA. This layered organization may be of biological relevance as it enables cooperative DNA packaging between the two chromatin regulators: histone H1 softens the DNA to facilitate the compaction induced by HP1 droplets. Our study supports near atomistic models as a valuable tool for characterizing the structure and stability of biological condensates.

Microstructural Features and Properties of Al-Cu-Mg Alloy Containing Silver and Cerium

The article presents the results of an investigation of microstructural features and mechanical characteristics of Al-5.0Cu-0.5Mg alloy containing up to 0.4 wt. % Ag and up to 0.1 wt. % Ce. The experiment was conducted using optical microscopy, Scanning Electron Microscopy as well as an electron probe micro-analyzer and Differential Scanning Calorimetry. Samples in cast condition and after heat treatment were examined. The melting temperatures of non-equilibrium eutectics (non-equilibrium solidus), equilibrium solidus and liquidus were determined. The optimal temperature of the homogenizing heat treatment was determined, which was 500°C. Using this heat treatment mode resulted in the elimination of dendritic segregation and complete dissolution of silver in aluminum. Injection of cerium into the Al-Cu-Mg-Ag system during crystallization of the melt is accompanied by the formation of a coarse four-component phase, which has the morphology of polyhedrons, is on the grain boundaries. The estimation of the relation between microstructure characteristics and mechanical properties of the alloy has been made.

Microstructure formation and mechanical properties of isothermally-solidified titanium alloy joints brazed by a Ti – Zr – Cu – Ni – Be amorphous alloy foil

Two titanium alloys, OT4 and VT6-c, with a pseudo-α and α + β structure, respectively, were brazed using transient liquid phase (TLP) bonding. To obtain high strength joints an amorphous foil (Ti – 12Zr – 22Cu – 12Ni – 1.5 Be – 0.8V wt.%) was used. Based on microstructural studies and analysis of two- and three-component phase diagrams, the mechanism of the microstructural evolution of the brazed seams of titanium alloys OT4 and VT6-c is described. Brazing at 800 °C with exposure for 0.5 h leads to the formation of a heterogeneous structure consisting of Widmanstätten, eutectoid, and eutectic. Brazed OT4 and VT6-c joints with the presence of a eutectic layer in the centre show low mechanical properties; their ultimate strength lies in a range from 200 to 550 MPa. Increasing the brazing temperature to 840 °C and the exposure time to 2 h, leads to the disappearance of the brittle eutectic component from the seam. This structure typically consists of Widmanstätten with a small number of eutectoid fractions. Joints with the absence of a eutectic layer in the brazed seam demonstrate a strength equal to the base titanium alloys. In this case, failure occurs in the base metal. For brazed samples from the OT4 alloy, the tensile strength value is σb = 750 ± 3 MPa, and for samples from VT6-c, σb = 905 ± 3 MPa. This work was supported by Competitiveness Growth Programme of the Federal Autonomous Educational Institution of Higher Education National Research Nuclear University MEPhI (Moscow Engineering Physics Institute).