On a joint quantized and mechanical description for the Chernov-L\"uders macroband of localized deformation

We suggest a quantum procedure, based on our recent statistical theory of flow stress in polycrystalline materials under quasi-static plastic deformations, with the intention to approach a theoretical description of the Chernov-L\"uders shear macroband of localized deformation, exhibited by some Fe-containing materials with a second phase beyond the yield-strength point on the stress-strain curve {\sigma}={\sigma}({\epsilon}). The procedure makes substantial use of a quasi-particle interpretation for the minimal portion of mechanical energy in a given single-mode polycrystalline aggregate that is necessary for the thermal-fluctuation mechanism to create a 0D-defect nanopore as the initial zone of a localized deformation under external loading. Using a quasi-particle description, we obtain analytic expressions both for the scalar density of dislocations, given the size of grains, the temperature, the most probable sliding system, and for the dependence {\sigma} ={\sigma}({\epsilon}) itself. A two-level system, which characterizes the mechanism of absorption and emission of such quasi-particles (dislocons) by the crystal lattice of any grain under quasi-static loading provides an effective physical description for the emergence and propagation of the Chernov-L\"uders shear macroband. An enhancement of acoustic emission observed in experiments and accompanied by the macroband phenomenon justifies the interpretation of a dislocon as a composite short-lived particle consisting of acoustic phonons. A more realistic three-level system within a two-phase model with third (with dispersion particles) phase presence for actual polycrystalline samples is also produced.Comment: 5 pages, 2 figures, 1 table, contribution to the Proceedings of the International Conference Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 1-5, October, 2019, Tomsk, Russi

Thin Bioactive Zn Substituted Hydroxyapatite Coating Deposited on Ultrafine-Grained Titanium Substrate: Structure Analysis

Nanocrystalline Zn-substituted hydroxyapatite coatings were deposited by radiofrequency magnetron sputtering on the surface of ultrafine-grained titanium substrates. Cross-section transmission electron microscopy provided information about the morphology and texture of the thin film while in-column energy dispersive X-ray analysis confirmed the presence of Zn in the coating. The Zn-substituted hydroxyapatite coating was formed by an equiaxed polycrystalline grain structure. Effect of substrate crystallinity on the structure of deposited coating is discussed. An amorphous TiO2 sublayer of 8-nm thickness was detected in the interface between the polycrystalline coating and the Ti substrate. Its appearance in the amorphous state is attributed to prior to deposition etching of the substrate and subsequent condensation of oxygen-containing species sputtered from the target. This layer contributes to the high coating-to-substrate adhesion. The major P–O vibrational modes of high intensity were detected by Raman spectroscopy. The Zn-substituted hydroxyapatite could be a material of choice when antibacterial osteoconductive coating with a possibility of withstanding mechanical stress during implantation and service is needed

Towards a theory of flow stress in multimodal polycrystalline aggregates. Effects of dispersion hardening

We elaborate the recently introduced theory of flow stress, including yield strength, in polycrystalline materials under quasi-static plastic deformations, thereby extending the case of single-mode aggregates to multimodal ones in the framework of a two-phase model which is characterized by the presence of crystalline and grain-boundary phases. Both analytic and graphic forms of the generalized Hall-Petch relations are obtained for multimodal samples with BCC (α-phase Fe), FCC (Cu, Al, Ni) and HCP (α-Ti, Zr) crystalline lattices at T=300K with different values of the grain-boundary (second) phase. The case of dispersion hardening due to a natural incorporation into the model of a third phase including additional particles of doping materials is considered. The maximum of yield strength and the respective extremal grain size of samples are shifted by changing both the input from different grain modes and the values at the second and third phases. We study the influence of multimodality and dispersion hardening on the temperature-dimensional effect for yield strength within the range of 100-350K. © 2019 Author(s).Conference of International Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2019 ; 1-5 October 2019; Conference Code:15464

Tailoring the Surface Morphology and the Crystallinity State of Cu- and Zn-Substituted Hydroxyapatites on Ti and Mg-Based Alloys

Titanium-based alloys are known as a “gold standard” in the field of implantable devices. Mg-based alloys, in turn, are very promising biocompatible material for biodegradable, temporary implants. However, the clinical application of Mg-based alloys is currently limited due to the rapid resorption rate in the human body. The deposition of a barrier layer in the form of bioactive calcium phosphate coating is proposed to decelerate Mg-based alloys resorption. The dissolution rate of calcium phosphates is strongly affected by their crystallinity and structure. The structure of antibacterial Cu- and Zn-substituted hydroxyapatite deposited by an radiofrequency (RF) magnetron sputtering on Ti and Mg–Ca substrates is tailored by post-deposition heat treatment and deposition at increased substrate temperatures. It is established that upon an increase in heat treatment temperature mean crystallite size decreases from 47 ± 17 to 13 ± 9 nm. The character of the crystalline structure is not only governed by the temperature itself but relies on the condition such as either post-deposition treatment, where an amorphous calcium phosphate undergoes crystallization or instantaneous crystalline coating growth during deposition on the hot substrate. A higher treatment temperature at 700 °C results in local coating micro-cracking and induced defects, while the temperature of 400–450 °C resulted in the formation of dense, void-free structure

RF Magnetron Sputtering of Substituted Hydroxyapatite for Deposition of Biocoatings

Functionalization of titanium (Ti)-based alloy implant surfaces by deposition of calcium phosphates (CaP) has been widely recognized. Substituted hydroxyapatites (HA) allow the coating properties to be tailored based on the use of different Ca substitutes. The formation of antibacterial CaP coatings with the incorporation of Zn or Cu by an RF magnetron sputtering is proposed. The influence of RF magnetron targets elemental composition and structure in the case of Zn-HA and Cu-HA, and the influence of substrate’s grain size, the substrate’s temperature during the deposition, and post-deposition heat treatment (HT) on the resulting coatings are represented. Sintering the targets at 1150 °C resulted in a noticeable structural change with an increase in cell volume and lattice parameters for substituted HA. The deposition rate of Cu-HA and Zn-HA was notably higher compared to stochiometric HA (10.5 and 10) nm/min vs. 9 ± 0.5 nm/min, respectively. At the substrate temperature below 100 °C, all deposited coatings were found to be amorphous with an atomic short-range order corresponding to the {300} plane of crystalline HA. All deposited coatings were found to be hyper-stochiometric with Ca/P ratios varying from 1.9 to 2.5. An increase in the substrate temperature to 200 °C resulted in the formation of equiaxed grain structure on both coarse-grained (CG) and nanostructured (NS) Ti. The use of NS Ti notably increased the scratch resistance of the deposited coatings from18 ± 1 N to 22 ± 2 N. Influence of HT in air or Ar atmosphere is also discussed. Thus, the deposition of Zn- or Cu-containing CaP is a complex process that could be fine-tuned using the obtained research results