Numerical study and experimental validation of deformation of <111> FCC CuAl single crystal obtained by additive manufacturing

The importance of taking into account directional solidification of grains formed during 3D printing is determined by a substantial influence of their crystallographic orientation on the mechanical properties of a loaded material. This issue is studied in the present study using molecular dynamics simulations. The compression of an FCC single crystal of aluminum bronze was performed along the axis. A Ni single crystal, which is characterized by higher stacking fault energy (SFE) than aluminum bronze, was also considered. It was found that the first dislocations started to move earlier in the material with lower SFE, in which the slip of two Shockley partials was observed. In the case of the material with higher SFE, the slip of a full dislocation occurred via successive splitting of its segments into partial dislocations. Regardless of the SFE value, the deformation was primarily occurred by means of the formation of dislocation complexes involved stair-rod dislocations and partial dislocations on adjacent slip planes. Hardening and softening segments of the calculated stress–strain curve were shown to correspond to the periods of hindering of dislocations at dislocation pileups and dislocation movement between them. The simulation results well agree with the experimental findings

Both Ca2+ and Zn2+ are essential for S100A12 protein oligomerization and function

Background Human S100A12 is a member of the S100 family of EF-hand calcium-modulated proteins that are associated with many diseases including cancer, chronic inflammation and neurological disorders. S100A12 is an important factor in host/parasite defenses and in the inflammatory response. Like several other S100 proteins, it binds zinc and copper in addition to calcium. Mechanisms of zinc regulation have been proposed for a number of S100 proteins e.g. S100B, S100A2, S100A7, S100A8/9. The interaction of S100 proteins with their targets is strongly dependent on cellular microenvironment. Results The aim of the study was to explore the factors that influence S100A12 oligomerization and target interaction. A comprehensive series of biochemical and biophysical experiments indicated that changes in the concentration of calcium and zinc led to changes in the oligomeric state of S100A12. Surface plasmon resonance confirmed that the presence of both calcium and zinc is essential for the interaction of S100A12 with one of its extracellular targets, RAGE – the Receptor for Advanced Glycation End products. By using a single-molecule approach we have shown that the presence of zinc in tissue culture medium favors both the oligomerization of exogenous S100A12 protein and its interaction with targets on the cell surface. Conclusion We have shown that oligomerization and target recognition by S100A12 is regulated by both zinc and calcium. Our present work highlighted the potential role of calcium-binding S100 proteins in zinc metabolism and, in particular, the role of S100A12 in the cross talk between zinc and calcium in cell signaling

The impact of national context effects on HRM practices in Russian subsidiaries of Western MNCs

This article contributes to the research on comparative human resource management by providing a model of the Russian business system and its effect on human resource management practices at Russian subsidiaries of Western multinational companies. Whitley’s approach was adopted to illustrate the links between institutional arenas, business systems, and human resource management practices. The empirical part is based on interviews with senior human resources managers of Western multinational companies operating in Russia. The findings provide insight into the interaction between the national business system and human resource management practices in Russia

Aluminum bronze crystallization on deformed base during electron beam additive manufacturing

To obtain products by using additive manufacturing (AM) methods, it is necessary to take into account the features of the formed internal structure of the material. The internal structure depends on the 3D printing parameters. To predict it, it is effective to use computer modeling methods. For this purpose, using the example of aluminum bronze, the influence of the base structure and heat input during surfacing on the grain structure of the deposited layers was studied. To create numerical models, we used data obtained from electron backscatter diffraction (EBSD) analysis of samples. The heterogeneity of the formation of the structure in each selected zone is established, which indicates the heterogeneity of heat input in local areas of the material in one mode of surfacing. For typical cases of crystallization, modeling using the molecular dynamics (MD) method of crystallization processes with different heat inputs to the base with characteristics specified based on experimental data was carried out. It was established that the amount of heat input determines the degree of melting and the inherited defectiveness of growing crystals. The formation of misorientation boundaries and crystallization centers of new grains is determined by the conditions of joint growth of grains with given crystallographic parameters of the computational model. The grain structure obtained as a result of simulation is consistent with the experimentally observed structure of the samples

Growth and Deformation Simulation of Aluminum Bronze Grains Produced by Electron Beam Additive Manufacturing

When working out 3D building-up modes, it is necessary to predict the material properties of the resulting products. For this purpose, the crystallography of aluminum bronze grains after electron beam melting has been studied by EBSD analysis methods. To estimate the possibility of sample form changes by pressure treatment, we simulated structural changes by the method of molecular dynamics during deformation by compression of individual grains of established growth orientations. The analysis was carried out for free lateral faces and grain deformation in confined conditions. Simulation and experiments on single crystals with free lateral faces revealed the occurrence of stepwise deformation in different parts of the crystal and its division into deformation domains. Each domain is characterized by a shear along a certain slip system with the maximum Schmidt factor. Blocking the shear towards the lateral faces leads to selectivity of the shear along the slip systems that provide the required shape change. Based on the simulation results, the relationship between stress–strain curves and structural characteristics is traced. A higher degree of strain hardening and a higher density of defects were found upon deformation in confined conditions. The deformation of the columnar grains of the built material occurs agreed with the systems with the maximum Schmidt factor

Molecular dynamics study of aluminum bronze nanograin surfacing

The amount of heat input during surfacing affects the structure and properties of a product. Features of the crystallizing structure depend on the structure of the already deposited layers. The process of structural changes during the interaction of a melt drop with the basis of three grains has been traced by modeling using the molecular dynamics method. The grain parameters in the model are set from the experimental characteristics of the sample obtained by electron-beam surfacing of aluminum bronze. Increasing the temperature of the melt drop improves its spreading and increases the melting depth. The grain growth during crystallization inherits the grain orientation of the basis. During crystallization, stacking faults and twins are formed, oriented similarly to defects in the basis. The grain boundaries change orientation in the direction of the maximum temperature gradient

High-Temperature Oxidation of CrN/ZrN Multilayer Coatings

Multilayer nitride coatings provide some of the best performance when in their use for the production of metalworking tools. In this work, vacuum-arc plasma-assisted deposited multilayer ZrN/CrN coatings with different numbers of constituent layers were characterized for high-temperature oxidization in air using weighing, confocal and scanning electron microscopy and synchrotron XRD. Oxidizing at 300 °C did not deteriorate the coating surfaces, while higher temperatures caused surface deterioration and oxidation accompanied by cracking, delamination and considerable mass gains. The coating with higher number of thinner layers showed higher oxidation resistance due to more prominent oxygen barrier effect

Dry Sliding Friction Study of ZrN/CrN Multi-Layer Coatings Characterized by Vibration and Acoustic Emission Signals

In this work, we studied single-layer ZrN and CrN coatings, as well as multi-layer ZrN/CrN coatings deposited by the vacuum-arc method on WC-8 wt.% Co substrates. The sliding friction parameters were preset to simulate different operating conditions for coatings, i.e., severe and zero wear regimes. During the tests, the friction coefficient, acoustic emission (AE) and vibration signals were recorded. After testing, the worn surfaces of the samples were studied using confocal laser scanning and scanning electron microscopy, elemental microanalysis and synchrotron XRD. Estimation of vibration accelerations and AE energy turned out to be very effective means of monitoring the wear of coatings, while median AE frequency turned out to be a less informative one. With the increase in the normal load applied on the samples after testing at zero wear regime, the coefficient of friction increased and wear transition to severe wear regime occurred but vibration acceleration decreased. The multi-layer ZrN/CrN coatings demonstrated much higher wear resistance as compared to those of single-layer ZrN and CrN