Development of Thermodynamic Criteria for Determining the Composition of Duplex Stainless Steels with High Corrosion Resistance.

One of the most popular methods for ranking duplex stainless steels (DSSs) and predicting their corrosion properties is the calculation of the pitting resistance equivalent number (PREN). However, since DSSs are two-phase materials with a significant fraction of secondary phases and precipitates, the application of the PREN can be highly limited. This article attempted to use a new approach to describe the corrosion resistance of these steels.

Control of the Composition and Morphology of Non-Metallic Inclusions in Superduplex Stainless Steel.

Duplex stainless steel is a unique material for cast products, the use of which is possible in various fields. With the same chemical composition, melting, casting and heat treatment technology, pitting and crevice corrosion were observed at the interphase boundaries of non-metallic inclusions and the steel matrix. To increase the cleanliness of steel, it is necessary to carefully select the technology for deoxidizing with titanium or aluminum, as the most common deoxidizers, and the technology for modifying with rare earth metals.

Possibilities of Controlling the Quantum States of Hole Qubits in an Ultrathin Germanium Layer Using a Magnetic Substrate: Results from ab Initio Calculations.

Using density functional theory in the noncollinear approximation, the behavior of quantum states of hole qubits in a Ge/Co:ZnO system was studied in this work. A detailed analysis of the electronic structure and the distribution of total charge density and hole states was carried out. It was shown that in the presence of holes, the energetically more favorable quantum state is the state |0˃, in contrast to the state |1˃ when there is no hole in the system.

Z-flipon variants reveal the many roles of Z-DNA and Z-RNA in health and disease.

Identifying roles for Z-DNA remains challenging given their dynamic nature. Here, we perform genome-wide interrogation with the DNABERT transformer algorithm trained on experimentally identified Z-DNA forming sequences (Z-flipons). The algorithm yields large performance enhancements (F1 = 0.

Thermal Properties of Porous Silicon Nanomaterials.

The thermal properties, including the heat capacity, thermal conductivity, effusivity, diffusivity, and phonon density of states of silicon-based nanomaterials are analyzed using a molecular dynamics calculation. These quantities are calculated in more detail for bulk silicon, porous silicon, and a silicon aerocrystal (aerogel), including the passivation of the porous internal surfaces with hydrogen, hydroxide, and oxygen ions. It is found that the heat capacity of these materials increases monotonically by up to 30% with an increase in the area of the porous inner surface and upon its passivation with these ions.

Development of a Methodology for the Quality Management of Duplex Stainless Steels.

The use of traditional materials leads to failures and breakdowns of expensive equipment, so advanced materials are needed that can provide reliable and durable solutions. The ability to control the quality of duplex stainless steels (DSSs) can greatly help with the development of new compositions or choosing existing DSSs. In this case, it is necessary to consider the final consumer properties-corrosion resistance and mechanical properties, which depend on the phase composition, contamination with non-metallic inclusions (NMIs), and the presence of undesirable secondary phases.

Charge-transfer plasmons of complex nanoparticle arrays connected by conductive molecular bridges.

Charge-transfer plasmons (CTP) in complexes of metal nanoparticles bridged by conductive molecular linkers are theoretically analysed using a statistic approach. The applied model takes into account the kinetic energy of carriers inside the linkers including its dissipation and the Coulomb energy of the charged nanoparticles. The plasmons are statistically investigated for systems containing a large number of complexes of bridged nanoparticles of realistic sizes generated using a simplified molecular dynamics algorithm, where the geometries of the complexes are dependent on the rate of connection of the linkers with the nanoparticles.

Mono a Mano: ZBP1's Love-Hate Relationship with the Kissing Virus.

Z-DNA binding protein (ZBP1) very much represents the nuclear option. By initiating inflammatory cell death (ICD), ZBP1 activates host defenses to destroy infectious threats. ZBP1 is also able to induce noninflammatory regulated cell death via apoptosis (RCD).

CuFeAl Nanocomposite Catalysts for Coal Combustion in Fluidized Bed.

A method of oil-drop granulation was suggested for the preparation of spherical CuFeAl nanocomposite catalysts. The catalysts were characterized by a set of physicochemical methods (X-ray diffraction, temperature-programmed reduction by H, low-temperature nitrogen adsorption, crushing strength) and tested in the oxidation of CO and burning of brown coal in a fluidized bed. It was found that the catalysts have high mechanical strength (16.

Effect of Oxygen Nonstoichiometry on Electrical Conductivity and Thermopower of GdSrFeO Ferrite Samples.

The behavior of the resistivity and thermopower of the GdSrFeO ferrite samples with a perovskite structure and the sample stability in an inert gas atmosphere in the temperature range of 300⁻800 K have been examined. It has been established that, in the investigated temperature range, the thermoelectric properties in the heating‒cooling mode are stabilized at ≥ 0.21.

Crystal Structure Representation for Neural Networks using Topological Approach.

In the present work we describe a new approach, which uses topology of crystals for physicochemical properties prediction using artificial neural networks (ANN). The topologies of 268 crystal structures were determined using ToposPro software. Quotient graphs were used to identify topological centers and their neighbors.