Zr-Nb Alloys Research Articles

Molecular dynamics simulation of gradient alloying distribution on the nano-mechanical properties of Nb-Zr alloys

Abstract In this work, a nano-indentation process of homogeneous Nb-Zr alloy and gradient Nb-Zr alloy was simulated using molecular dynamics simulation. The effects of indentation radius, Zr content and system temperature on the mechanical properties and micro-deformation were investigated. The influence of indentation size on nano-indentation experiments was mainly affected by the curvature of the indented part. Comparing the homogeneous and gradient alloys, it was revealed that the gradient alloy had a smoother mechanical performance. The results showed that the effect of Zr content on the hardness of Nb-Zr homogeneous alloy was not linear. The hardness rose, followed by a decline with increasing Zr content, and the turning point came at 1.5 wt%. Under high temperatures, the Nb-Zr homogeneous alloy and gradient alloy layer retained extremely high hardness, exhibiting excellent mechanical properties. Due to the entanglement of multiple dislocations in gradient Nb-Zr alloy at high temperatures, the hardness still increased with increasing temperature at high temperatures. It was worth noting that gradient alloys could disperse stress faster and reach a stable state during the loading process. The hardness of the Nb-Zr homogeneous alloy layer first increased and then decreased as the Zr content changed from 1.0 wt% to 2.0 wt%, as verified by the experiments. This study provided the reference for the preparation of high-temperature applications alloy by constructing Nb-Zr gradient alloy.

Role of severe plastic deformation on mechanical behavior of irradiated materials: A case study with Nb-1Zr alloy

In this investigation, the effect of 5.6 MeV proton irradiation on the microstructure and mechanical properties of coarse grained (CG) and nanocrystalline (NC) Nb-1wt.%Zr (NZ) has been analysed. Bulk nanocrystalline microstructure was obtained by subjecting the alloy to room temperature high pressure torsion under 6 GPa hydrostatic pressure and 5 rotations. The CG and NC samples were irradiated at doses of 1.9 × 1017 p/cm2 and 1.8 × 1017 p/cm2, respectively. Microstructural parameters like crystallite size, dislocation density, and dislocation arrangements were studied in detail using X-ray line profile analysis (XLPA) by Convolutional Multiple Whole Profile (CMWP) fitting. Microscopic observations were made with electron microscopy techniques in the scanning and transmission modes. Differential Scanning Calorimetry (DSC) was performed to estimate the concentration of vacancies after HPT processing and irradiation. Tensile tests of irradiated CG and NC irradiated samples were performed and compared to those in unirradiated conditions. In the NC condition, not only did the irradiated sample show higher ultimate tensile strength but also twice the amount of uniform elongation as compared to the irradiated CG sample. The fracture surface clearly exhibited this higher plasticity post-irradiation in the NC samples. The change in deformation mechanisms due to nano-structuring of the microstructure has been anticipated to be a reason for the increase in ductility in a single-phase alloy has been explained thereafter.

Oxidation behavior of β-Nb formed in Zr-1Nb under neutron irradiation in PWR conditions

This work focuses on neutron irradiated Zr-1Nb alloy, using High Resolution Transmission Electron Microscopy (HRTEM) to investigate the oxidation behavior of β-Nb at different distances from the Oxide /Metal (O/M) interface within the oxide film. Results show that β-Nb was initially oxidized to T-NbO2 at 0 nm at O/M interface, then into a complex morphology of T-NbO2, M-Nb2O5, and O-Nb2O5 within 600 nm. Finally, it was completely oxidized to M-Nb2O5 within 800 nm. β-Nb in this study did not exhibit amorphous morphology within observed distances. In addition, Inverse Fast Fourier Transformation (IFFT) and Weak Beam Dark Field (WBDF) techniques are employed to characterize the dislocation density and distribution in the oxide film, results indicate that the distribution of dislocations generated by neutron irradiation in the oxide film is relatively uniform and neutron irradiation is not the primary reason affecting the oxidation behavior of β-Nb.

Comparative Study of Mechanical and Functional Properties of Age-Hardened Superelastic Ti–Zr–Nb Alloy with Different Initial Microstructures

Comparative Study of Mechanical and Functional Properties of Age-Hardened Superelastic Ti–Zr–Nb Alloy with Different Initial Microstructures

Effect of the Multidirectional Free Hot Forging on the Hot Compression Behavior and Microstructure of the Zr–Nb Alloy

Effect of the Multidirectional Free Hot Forging on the Hot Compression Behavior and Microstructure of the Zr–Nb Alloy

The phase structure, hardness, and wear properties of the Cu–Cr–Zr–Nb alloy under different aging states

As a typical age-strengthened alloy, Cu–Cr–Zr alloys have high strength, good electrical conductivity, and excellent wear resistance. In this work, the Cu–Cr–Zr–Nb alloys were in different aging states after the aging process. After aging at 460 °C for 4 h, the alloy was peak-aging. The common effect of the existence of the FCC Cr particle, which was coherent with the Cu matrix, and the increase in hardness improved the wear property of the alloy. The results of the wear test showed that the optimal wear parameter was a speed of 300 rpm and a load of 5 N. Under these wear parameters, the alloy had the lowest mean coefficient of friction (COF) value and the least mass loss, having the best wear resistance. Furthermore, the wear mechanism of the alloy was mainly adhesive wear and abrasive wear.

Trailblazing multi-material structure: Niobium alloy to tungsten–copper composite using wire-arc additive manufacturing

Integrating tungsten and niobium alloys into a single component offers synergistic benefits for fusion reactor applications. Additive manufacturing, particularly for components with complex geometries, further amplifies these advantages. This study examines the fabricability of a multi-material structure composed of a W–Cu composite and an Nb–Zr alloy using wire-arc additive manufacturing. The resulting W–Cu/Nb–Zr structure was free from significant defects like porosity or cracks, though the formation of hard intermetallic compounds was observed. Numerical analysis indicated considerable residual stress accumulation at the interface. During tensile testing, fractures occurred in the W–Cu composite near the interface, with the specimens exhibiting an ultimate tensile strength of 218 ± 3 MPa and an elongation of 5.7 ± 1 %.

Effect of heat treatment on electrochemical behavior of biocompatible Ti–Ta–Nb–Zr alloys prepared by selective laser melting

In this paper, cytotoxicity-free Ti-10Ta-2 Nb-2Zr titanium alloy was prepared by selective laser melting additive manufacturing. The effect of solution and annealing heat treatment on the structure and microhardness were investigated. Electrochemical performance in Ringer’s solution at 37℃ was evaluated. This electrochemical evaluation was performed through the open circuit potential variation as the immersed time, potentiodynamic polarization curves, and electrochemical impedance spectroscopy tests. The results show that main phase composition of as-built and heat-treated specimens was the α/α′ phase. The specimen annealed at 500℃ presented a small amount of β phase. The solutionized and annealed specimens had basket-weave microstructure with distributed micro-scaled α/α′ lamellas. The microhardness of as-built specimens was 400.48 ±12.31 HV. After solution and water quenching, the microhardness dramatically increased to 533.85 ±24.67 HV. The microhardness slightly decreased to 495.46 ±4.85 and 488.8 ±13.84 HV after annealing at 300 ℃ and 500 ℃, respectively. Compared with the as-built specimen, the solutionized and annealed specimens had much lower corrosion current density and higher corrosion resistance.

The effect of chromium-based coatings on corrosion behavior of alloy Zr1Nb in 70ppm Li+ water environment

Recent research indicates that one of the leading candidates for Accident Tolerant Fuels (ATF) are chromium-based coatings deposited on the commercially used zirconium alloys. The chromium-based coatings seem to improve the corrosion kinetics of underlying zirconium in both primary water and steam, where zirconium fails to meet the safety requirements. It is well known that the corrosion kinetics of zirconium can be negatively influenced by high concentrations of lithium ions. To evaluate the effect of chromium-based coatings on corrosion behavior of zirconium alloys in water containing elevated concentrations of lithium, Cr and CrN/Cr multilayer coated Zr1Nb alloy was tested in high temperature water containing 70 ppm Li+. Using Electrochemical Impedance Spectroscopy (EIS), Scanning Electron Microscopy (SEM) and Energy-dispersive X-ray Spectroscopy (EDX), we have found that the chromium coating could have a positive effect on the underlying material as it behaves as a good diffusion barrier for oxygen and Li+ions. On the other hand, CrN/Cr coating, due to not sufficient structural integrity of the multilayer, showed non-protective behavior to the Zr1Nb alloy. Our results suggest that certain chromium coatings can significantly enhance corrosion resistance in lithium containing water environments.

Effects of aging processes on the microstructure, texture, properties and precipitation kinetics of the Cu–Cr–Zr–Nb alloy

The Cu–Cr–Zr–Nb alloy bars were prepared by vacuum melting, hot forging, solution treatment, and drawing. The effects of aging processes on the microstructure, texture, mechanical properties and electrical conductivity of the alloy were studied, and the precipitation kinetics was analyzed. Besides, the effect of adding Nb to the Cu–Cr–Zr alloy was simulated by the first-principles calculation. The results showed that when the aging temperature increased from 400 °C to 460 °C, Cube texture and Brass texture were transformed into Copper texture. The Cu–Cr–Zr–Nb alloy exhibited superior comprehensive properties such as a hardness of 84.3 HRB, a tensile strength of 520 MPa, an elongation of 19.0 %, and an electrical conductivity of 83.5 International Annealed Copper Standard (%IACS) after being aged at 460 °C for 4 h. The precipitation kinetics and electrical conductivity equations under different aging temperatures were established, and the precipitation activation energy of 24 kJ/mol was obtained. Moreover, the precipitation process of the alloy was also described by the Avrami empirical equation. It was found that the reaction mechanism of the alloy changed from nucleation and growth to one-dimensional diffusion as the aging temperature increased from 400 °C to 520 °C. It was also confirmed that Nb and Cr formed the Cr2Nb compound according to the first-principles calculation.

Spinodal Zr–Nb alloys with ultrahigh elastic admissible strain and low magnetic susceptibility for orthopedic applications

Metallic biomaterials, such as stainless steels, cobalt–chromium–molybdenum (Co–Cr–Mo) alloys, and titanium (Ti) alloys, have long been used as load-bearing implant materials due to their metallic mechanical strength, corrosion resistance, and biocompatibility. However, their magnetic susceptibility and elastic modulus of more than 100 GPa significantly restrict their therapeutic applicability. In this study, spinodal Zr60Nb40, Zr50Nb50, and Zr40Nb60 (at.%) alloys were selected from the miscibility gap based on the Zr–Nb binary phase diagram and prepared by casting, cold rolling, and aging. Their microstructure, mechanical properties, corrosion resistance, magnetic susceptibility, and biocompatibility were systematically evaluated. Spinodal decomposition to alternating nanoscale Zr-rich β1 and Nb-rich β2 phases occurred in the cold-rolled Zr–Nb alloys during aging treatment at 650 °C. In addition, a minor amount of α phase was precipitated in Zr60Nb40 due to the thermodynamic instability of the Zr-rich β1 phase. Spinodal decomposition significantly improved the mechanical strength of the alloys due to nanosized dual-cubic reinforcement. The Zr–Nb alloys showed an electrochemical corrosion rate of 94–262 nm per year in Hanks’ solution because of formation of dense passive films composed of ZrO2 and Nb2O5 during the polarization process. The magnetic susceptibilities of the Zr–Nb alloys were significantly lower than those of commercial Co–Cr–Mo and Ti alloys. The cell viability of the Zr–Nb alloys was more than 98 % toward MC3T3-E1 cells. Overall, the spinodal Zr–Nb alloys have enormous potential as bone-implant materials due to their outstanding overall mechanical properties, extraordinary corrosion resistance, low magnetic susceptibility, and sufficient bicompatibility. Statement of significanceThis work reports on spinodal Zr–Nb alloys with heterostructure. Spinodal decomposition significantly improved their mechanical strength due to the nanosized dual-cubic reinforcement. The Zr–Nb alloys showed large corrosion resistance in Hanks’ solution because of formation of dense passivation films composed of ZrO2 and Nb2O5 during the polarization process. The magnetic susceptibilities of the Zr–Nb alloys were significantly lower than those of commercial Co–Cr–Mo and Ti alloys. The cell viability of the Zr–Nb alloys was more than 98 % toward MC3T3-E1 cells. The results demonstrate that spinodal Zr–Nb alloys have enormous potential as bone-implant materials due to their outstanding overall mechanical properties, high corrosion resistance, low magnetic susceptibility, and sufficient biocompatibility.

Protective layers of zirconium alloys used for claddings to improve the corrosion resistance

Abstract Zirconium alloys are used as a cladding material for fuel elements in nuclear reactors. In the case of severe accident conditions, the possible rapid oxidation of zirconium in steam or/and air may result in intense hydrogen generation and hydrogen–oxide mixture explosion. Advanced technologies for increasing the corrosion resistance of claddings are being investigated in two directions: (a) protective coatings on Zr alloys and (b) the use of new materials for claddings. Coatings with silicon may provide a more protective barrier than the ZrO2 films formed on an alloy cladding during nuclear plant operations. These coatings may also serve as a protective barrier during high-temperature accidents. The current work aimed at developing protective coatings with silicon on zirconium alloys. Multielemental Zr–Si–Cr coatings were formed on Zry-2 alloy using the physical vapor deposition (PVD) method. Long-term oxidation tests were carried out under the following conditions: 360°C/195 bar/63 days/water-simulating PWR water. Obtained results show the protective character of formed layers. The material in the form of silicon carbide grains covered with yttrium–aluminum garnet (SiC + YAG) was prepared using the sol–gel method. The formed powder is the main component for coating formation on Zr–1Nb alloy using the method of suspension plasma spraying (SPS).

Barrier Properties of Cr/Ta-Coated Zr-1Nb Alloy under High-Temperature Oxidation

Barrier Properties of Cr/Ta-Coated Zr-1Nb Alloy under High-Temperature Oxidation

Prediction of creep behavior of Zr-Nb alloy under dual-phase condition using data driven models

Prediction of creep behavior of Zr-Nb alloy under dual-phase condition using data driven models

Atomistic simulations of the interaction of edge dislocations with β-Nb precipitates in Zr-Nb alloys

Experiments have shown that precipitation can affect the mechanical properties of zirconium alloy, but the interaction mechanism between dislocations and Nb precipitates in zirconium alloys is still unclear. Thus, a systematic molecular dynamics study was performed to investigate the interaction between edge dislocations and Nb precipitates. It was found that the dislocation passed through Nb precipitate by shear mechanism or bypass mechanism of forming jogs, and the critical resolved shear stress increased with the diameter of the precipitate. After completion of the interaction, dislocations formed jogs due to climb when the precipitates were larger than 2 or 3 nm. Some atoms in the precipitate were more disordered after dislocation shearing, and dislocation fragments were generated around the precipitate, both of which lead to the precipitate hardening. The calculation of obstacle strength further confirmed that unsheared Nb precipitates until hundreds of nanometers were the weak obstacle for dislocations.

Corrosion and fretting-corrosion behavior of Zr-Nb alloy under aqueous LiOH solution

Zirconium alloys are the key materials for nuclear reactor’s core components due to low neutron cross-section and good mechanical and corrosion properties. During operation in nuclear reactor, some core components (exposed to the corrosive environment of coolant water having LiOH) may undergo corrosion and fretting-corrosion. This work presents a novel experimental approach for investigating the Zr-2.5 Nb alloy's corrosion and in-situ fretting-corrosion response. The corrosion analysis was performed using Electrochemical Impedance Spectroscopy (EIS) and potentiodynamic polarization, to study the effect of LiOH concentration in water and exposure duration. It is observed that the corrosion rate increases with increasing the concentration of LiOH in water and decreases with increasing the exposure duration. The fretting-corrosion tests were performed between SS-410 and Zr-2.5 Nb in aqueous LiOH solution. The results reveal that the contact resistance and coefficient of friction (COF) decrease with increasing concentration of LiOH in the solution. The present work highlights the scientific understanding of corrosion and fretting-corrosion phenomena in zirconium alloy and elucidates key mechanisms and factors governing the degradation behavior which can help in preventing the failure of the components.

Development of a Zr-Nb-H-O reactive force field for molecular dynamics simulations of in-reactor corrosion

The corrosion of Zircaloy fuel cladding is one of the crucial issues during the operation of pressurized water reactors (PWR). In this work, a Zr-Nb-H-O reactive force field (ReaxFF) is constructed to study the corrosion mechanisms and irradiation effect of Zr-Nb alloys at the atomic landscape. This ReaxFF can describe the interactions between water dissociation products and Zr-Nb alloys, and the stability as well as diffusion properties of irradiation defects in Zr bulk. The molecular dynamics (MD) simulations based on the present ReaxFF show that Nb can thicken the suboxide layer during the corrosion process, as well as the promotion effect of irradiation on corrosion varies under different PKA (Primary Knock-on Atom) energies. The ReaxFF described here has the potential to be a new tool for understanding the in-reactor corrosion mechanism under the irradiation environment.

Fretting corrosion behavior of a Cr-coated Zr-1Nb alloy cladding in simulated PWR primary water environment

The fretting corrosion behaviors of Cr-coated Zr‐1Nb alloy claddings with Zr-4 dimple and Inconel 718 spring in simulated PWR primary water were investigated. The results indicated that by increasing the fretting duration from 192 to 427 h, the maximum wear depth and volume of Cr coating with dimple increased by 15% and 3%, respectively. In the case of spring as a grinding material, however, the maximum wear depth and volume significantly increased by about 8 and 300 times, respectively. At 427 h, the Cr coating was worn through, and oxidation of the underlying Zr‐1Nb substrate formed a dual-layered oxide film.

Study on eutectic-oxidation coupling reaction of Cr-Zr system in high temperature steam environment

The isothermal steam oxidation behavior of Cr-coated Zr-1Nb alloy at 1350 ℃ and 1400 ℃ was investigated. The temperatures are above the Cr-Zr eutectic temperature. The reliability of the experimental setup and methodology was confirmed by conducting isothermal steam oxidation experiments on bare Zr-1Nb specimens at 1100∼1400 ℃, and the corresponding oxidation kinetics correlation was obtained. After the eutectic-oxidation reaction, the surface of the coated specimens exhibited a “crocodile skin” morphology composed of “ridges” and “hollows”, which was attributed to the non-uniform eutectic reaction. Due to the much higher O affinity of Zr compared to Cr, and the higher solubility of Cr in β-Zr compared to α-Zr(O) and ZrO2, the ZrO2 and α-Zr(O) layers initially grew on the Cr-Zr eutectic during oxidation. Cr continuously diffused inward and eventually precipitated as Cr-rich phases within the metallic matrix. Three types of Cr-rich phases were observed, with varying oxygen content and reflecting the oxidation process of the Cr-rich phases. The Cr-rich phases were ultimately oxidized into a mixture of Cr2O3 and ZrO2. The parabolic weight gain rates for the oxidation of Cr-Zr eutectic are compared with the oxidation kinetics correlation derived from the bare Zr-1Nb specimens, and the model applicability of the oxidation kinetics correlations of Zr alloys in the simulations of Cr-Zr eutectic-oxidation reaction is discussed.

On the Construction of a Calibration Curve Using a Glow Discharge Emission Spectrometer for Measuring the Hydrogen Content in Zirconium Alloys

One of the main directions of modern activity of metrology researchers is to provide the real sector of the economy of the Russian Federation with reference materials that have no analogues in the country. The article discusses the research of highly efficient materials for fuel cladding (fuel elements) in the active zones of thermal reactors, the scope of which is wide. The purpose of the study is the development of samples of the composition of the zirconium alloy to establish and control the stability of the calibration curves of spectrometers when determining the mass fraction of hydrogen, provided that the metrological and technical characteristics of the reference material meet the requirements of the measurement procedure. The main methods for determining the hydrogen content in materials are analyzed. It has been established that the method of glow discharge optical emission spectroscopy has found the widest application. It has also been established that zirconium alloys are chosen as the main material in most cases.The need to create samples for constructing a calibration curve for spectrometers for measuring the hydrogen content in a zirconium alloy is noted. Samples of zirconium alloy Zr-1Nb (grade Э110) have been developed to construct a calibration curve using a glow discharge emission spectrometer for measurements with a mass fraction of hydrogen from 0.034 to 0.498 %. Calibration is carried out using the developed samples to obtain a calibration curve using the example of an emission glow discharge spectrometer of the GD Profiler2 type. The relative error of the hydrogen mass fraction obtained during calibration does not exceed ± 10 %.The practical significance of the study lies in the development of samples that can be used to calibrate spectrometers based on the method of glow discharge optical emission spectroscopy.