Ti Zr Research Articles

Theoretical Insights into Off-Stoichiometric Zr(x)Ti(1-x)IrSb Half-Heusler Alloys: A First Principle Calculations.

This study presents a theoretical investigation into the phase stability, electronic, and optical properties of off-stoichiometric Zr_{x}Ti_{1-x}IrSb (x = 0, 0.0625, 0.1875, 0.25, 0.50, 0.75, 1) compounds. Using first-principles calculations, we explore how varying Zr and Ti concentrations can tune the electronic and optical properties of these half-Heusler alloys. The Structural, optical, and electronic properties were meticulously analyzed with both the GGA-PBE and Meta-GGA-SCAN approximations, as implemented in the Vienna Ab initio Simulation Package (VASP). The dynamical stability of these compounds was assessed using the Phonopy package. Our findings reveal that these alloys exhibit semiconductor behavior with tunable band gaps, and their optical properties show significant variation across different compositions, particularly in the visible light range. The compounds also demonstrate robust dynamical stability, indicating their potential for practical applications in electronic and optoelectronic devices. These results underscore the versatility of Zr_{x}Ti_{1-x}IrSb alloys and highlight their promise for next-generation technology.

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

Microstructure and hot deformation behavior of Cu–Ti–Zr(-Mg) alloys

In this study, the thermal deformation behavior of Cu–Ti–Zr(-Mg) alloys were investigated by Gleeble-1500D. The two alloys were deformed at 700–900 °C with 0.003–10 s−1 strain rate. The intrinsic equations of the two alloys were constructed and calculated thermal activation energies, which indicates that it is improved from 325.67 kJ/mol to 344.03 kJ/mol after Mg addition. The result showed that the hot working area of Cu–Ti–Zr alloy is greatly extended after Mg addition, and rheological instability area is reduced. The morphology of the alloys was observed to analyze thermal behavior. It revealed that Mg elements inhibited the occurrence of dynamic recrystallization and shifted the texture types in the alloys by characterization of EBSD. TEM results showed that the phases during hot deformation in Cu–Ti–Zr–Mg are Cu4Ti and Cu10Zr7, which are in a semi-coherent relationship with the Cu matrix.

Effect of C additives with 0.5 % in weight on structural, optical and superconducting properties of Ta–Nb–Hf–Zr–Ti high entropy alloy films

We investigated the superconducting (SC) properties of Ta–Nb–Hf–Zr–Ti high-entropy alloy (HEA) thin films with 0.5 % weight C additives. The C additives stabilize the structural properties and enhance the SC critical properties, including μ0Hc2 (13.45 T) and Tc (7.5 K). The reflectance of the C-added HEA film is enhanced in the low-energy region, resulting in a higher optical conductivity, which is consistent with the lower electrical resistivity. In addition, we observed SC vortices in the C-added HEA film using magnetic force microscopy. The magnetic penetration depths (λ) of the pure HEA and C-added HEA films were estimated from their Meissner force curves by comparing them with those of a reference Nb film. At 4.2 K, the λ of the C-added film is 360 nm, shorter than that of the pure HEA film (560 nm), indicating stronger superconductivity against an applied magnetic field.

Eudialyte of the Kola Peninsula Is a Promising Source for Obtaining Composite Zr–Ti–SiO2 Sorbents of Nonferrous Metals and Radionuclides

Eudialyte of the Kola Peninsula Is a Promising Source for Obtaining Composite Zr–Ti–SiO2 Sorbents of Nonferrous Metals and Radionuclides

Laser Cladding of a Ti–Zr–Mo–Ta–Nb–B Composite Coating on Ti60 Alloy to Improve Wear Resistance

To improve the wear resistance of the Ti60 alloy, laser cladding was used to obtain a composite coating containing a high-entropy (Ti0.2Zr0.2Mo0.2Ta0.2Nb0.2)B2 boride phase, with Ti, Zr, Mo, Ta, Nb, and B powders as the raw materials. The microstructure and wear characteristics of the coating were studied using XRD, SEM, EDS, and the pin-on-disc friction wear technique. The results show that the coating mainly consists of six phases: (Ti0.2Zr0.2Mo0.2Ta0.2Nb0.2)B2, ZrB2, TiB, TiZr, Ti1.83 Zr0.17, and Ti0.67Zr0.67Nb0.67. The average microhardness of the coating was 1062.9 HV0.1 due to the occurrence of the high-entropy, high-hardness (Ti0.2Zr0.2Mo0.2Ta0.2Nb0.2)B2 boride phase, which was about 2.9 times that of the Ti60 alloy substrate. The coating significantly improved the wear resistance of the Ti60 alloy substrate, and the mass wear rate was about 1/11 that of the Ti60 alloy substrate. The main types of wear affecting the coating were abrasive, adhesive, and oxidation wear, while the main wear affecting the Ti60 alloy matrix was abrasive wear, accompanied by a small amount of adhesive and oxidation wear.

Microstructural Evolution, Precipitation Behavior, and Mechanical Property Response of Cast Al–Li–Cu–Cd–Mn–Zr–Ti Alloy

The microstructural evolution and mechanical properties of cast Al–Li–Cu–Cd–Mn–Zr–Ti alloy during heat treatment are investigated systematically. In these findings, it is shown that the as‐cast alloy exhibits fine and equiaxed grains. During the solid solution treatment, Al20Cu2Mn3 dispersoids effectively restrict grain growth, and reducing the solid solution time has a similar effect. Subsequently, the precipitation behavior and its effect on the mechanical properties during the aging process are revealed. Al3(Ti, Zr) particles are uniformly distributed throughout the matrix, acting as nucleation sites for δ′, θ′, and T1 precipitates. Overtime, δ′ precipitates gradually coarsen and decrease in number, and some δ′ precipitates attach to Al3(Ti, Zr) particles, forming core–shell Al3(Li, Ti, Zr) phases. At the same time, plate‐shaped θ′ and T1 precipitates emerge and coarsen. After aging at 160 °C for 24 h, the alloy exhibits an excellent combination of strength (yield strength =293.3 ± 4 MPa, ultimate tensile strength =468.0 ± 3 MPa) and ductility (elongation =9.6 ± 0.4%), surpassing those reported in other cast Al–3Li–2Cu–X alloys. Critically, the underlying mechanisms behind the microstructure and mechanical properties are discussed extensively, providing valuable insights for the advancement of cast Al–Li alloys.

Understanding the effect of holding time on interfacial microstructure evolution and mechanical properties of Ti3AlC2/Zr-4 brazed joints

In this work, the brazing of Zircaloy-4 (Zr-4) to Ti3AlC2 ceramic was investigated using a Ti–13Zr–21Cu–9Ni (wt.%) amorphous alloy at 930 °C with a holding time of 5–60 min. The typical multilayer structure of the joint was carefully characterized as Ti3AlC2/ZrC/Zr [Ti]ss + [Zr(Ti)]2 [Cu(Ni)]/Zr [Ti]ss/Zr-4. Ti3AlC2 was decomposed into TiCx due to the de-intercalation of Al, and Zr-4 dissolved into the molten amorphous TiZrCuNi fillers to form a Zr-based alloy which reacted with TiCx to form a ZrC particle layer on the Ti3AlC2 side. The microstructures and mechanical properties of the brazed joint were significantly influenced by dwell time, and the underlying evolution mechanisms were addressed based on the considerations of mutual dissolution, diffusion, and reaction among Ti3AlC2, Zr-4, and molten amorphous alloys. With the extension of holding time, the amount of [Zr(Ti)]2 [Cu(Ni)] in the brazed joints decreased gradually, while the ZrC layer thickened with (Ti, Zr)ss formed around the ZrC particles. The maximum shear strength of the joint, with an average strength of 187 ± 34 MPa, was achieved by brazing at 930 °C for 5 min. A detailed fracture analysis was conducted to determine the failure mechanism. This work provides a reference for brazing other MAX phase materials and alloys.

The Effect of Anodization and Thermal Treatment on Mixed-Oxide Layer Formation on Ti–Zr Alloy

The anodization or thermal treatments applied to alloys of titanium and zirconium have a substantiated effect on the mixed-oxide layer formation compared to the naturally occurring one. A Ti–Zr 50%/50% alloy was chosen for a comparative study. Controlled, thermally treated, and anodized samples obtained with controlled procedures were analyzed in terms of morphological and compositional analysis (using SEM and EDX analysis) as well as for the determination of hardness variations. Substantial differences were observed depending on the applied functionalization method (compact of structured mixed-oxide nanotubes when the samples are subjected to the anodization procedure); there was an increase of more than six folds in the mixed-oxide layer hardness and D Shore scale, when subjected to thermal treatment, and hence, this lead to the conclusion that one may control the morphology, composition and/or the hardness of the mixed-oxide layer by applying one or another or a combination of functionalization methods.

Composition dependence of phase transformation and shape memory effect of Ti-Zr-Pd-Pt high temperature shape memory alloys

Ti-Zr-Pd-Pt alloys have been considered as potential candidates for high-temperature shape memory alloys (HT-SMAs). In this study, nine alloys were prepared to investigate the effect of multi-component alloying on the phase transformation and shape memory effect. The structural phase diagram of martensite in Ti–Zr–Pd–Pt quaternary alloys was firstly systematically investigated to provide insights and predictions for further research. The phase transformation is divided into three groups: typical martensitic transformation (MT) area, supercooling-controlled phase transformation area and diffusion-assisted phase transformation area. The martensite structure changes from B19 to B33 with the addition of Zr over 25 %. The contribution of Pt contents to raising the martensitic transformation temperature (MTT) became less pronounced with increasing Zr contents. As for shape recovery, over 87 % shape recovery was obtained even under 300 MPa in Ti-10Zr-Pd-Pt alloys, among which Ti-10Zr-15Pt-35Pd presents the highest recovery ratio of over 97 %.

Interfacial Microstructure Evolution and Mechanical Properties of TC4/MgAl2O4 Joints Brazed with Ti–Zr–Cu–Ni Filler Metal

Interfacial Microstructure Evolution and Mechanical Properties of TC4/MgAl2O4 Joints Brazed with Ti–Zr–Cu–Ni Filler Metal

Development of Ti–Zr–Mn–Cr-(V–Fe) based alloys for hydrogen feeding system in hydrogen metallurgy application

AB2-type Ti-based hydrogen storage alloys are considered promising candidates for the hydrogen feeding system in hydrogen-metallurgy application. In this work, Ti0·87Zr0.15MnxCr1.75-xV0.25 (x = 1.25–1.5), Ti0·87Zr0·15Mn1·5Cr0.5-y(VFe)y (y = 0.25–0.43) and Ti0.85+zZr0.15Mn1·5Cr0·07(VFe)0.43 (z = 0–0.05) alloys were synthesized using induction levitation melting, where ferrovanadium VFe consists of 80 wt% V and 20 wt% Fe. Subsequently, their microstructures and hydrogen storage performances were systematically investigated. The results demonstrate that all alloy samples exhibit a single C14 Laves phase structure with uniform element distribution. With the increment of Cr/Mn, VFe/Cr ratio, or Ti stoichiometry, the alloys exhibit enhanced hydrogen storage capacity, accompanied by a decrease in hydrogenation equilibrium pressure because of interstitial volume expansion or hydrogen affinity improvement, which is also supported by density functional theory calculations. Considering the application of hydrogen metallurgy, Ti0·86Zr0·15Mn1·5Cr0·07(VFe)0.43 alloy is regarded as a promising candidate, exhibiting a saturated capacity of 2.01 wt% H2, an effective reversible capacity of 1.91 wt% H2, rapid hydrogenation kinetics, excellent cyclic durability and low costs. This work provides valuable insights into the compositional design of hydrogen storage alloys for the hydrogen feeding system in hydrogen metallurgy applications.

Effect of Alloying on the Hydrogen Sorption in Ti–Zr–Mn-Based Alloys. Pt. 1: C14-Type Laves-Phase-Based Alloys

The alloys of the Ti–Zr–Mn system based on the C14-type Laves phase are considered as ones of the most promising materials for safe storage and transportation of hydrogen. These alloys have appropriate parameters for activating the processes of absorption and release of hydrogen, a low cost, and a fairly high cyclic stability. In this work, the microstructure and phase composition of the starting alloys and the crystal structure of the hydrides synthesized from them are studied. Possible ways to reduce the cost of the final products are shown. The fact that changing the method of the alloy fabrication does not significantly affect its hydrogen absorption properties is shown. On the example of the considered alloys, it is shown that, as expected, alloying with an element with a larger atomic radius that forms a stable chemical compound with hydrogen results in an increase in the hydrogen capacity. This is explained by both the increased radius of the tetrahedral interstitial sites, where hydrogen atoms are located after dissolution, and the higher total amount of the element interacting with hydrogen.

Developing advanced CrSi coatings for combatting surface degradation of N-type (Zr,Ti)Ni(Sn,Sb) and P-type (Zr,Ti)Co(Sn,Sb) half Heusler thermoelectric materials

In this study, advanced oxidation-protective CrSi coatings were developed and deposited on N-type (Zr,Ti)Ni(Sn,Sb) and P-type (Zr,Ti)Co(Sn,Sb) thermoelectric (TE) materials using an environmentally friendly closed field unbalanced magnetron sputtering PVD system. The oxidation behaviour of the CrSi-coated and uncoated samples was evaluated through static oxidation tests at 500 °C and 600 °C for 10h and 50 h, respectively. In addition, the samples were exposed to cyclic oxidation tests between 25 °C and 500 °C for 10, 30 and 50 cycles, with each cycle consisting of 1h of oxidation at 500 °C, to examine the coating ability to withstand thermal shock, which is involved in the service of TE devices. The surface morphology, cross-section layer structure, elemental distribution and phase constitution were analysed using scanning electron microscopy (SEM), energy dispersive spectroscopy (EDX) and X-ray diffraction (XRD). The mass gain after the oxidation tests was measured and calculated for each sample to study the oxidation kinetics. The uncoated samples exhibited a considerable amount of oxidation, leading to change in the surface morphologies, and the formation of alternated layers including oxide products (Zr(Ti)O2, SnO2) and Ni3Sn4 compound for the N-type and (Zr(Ti)O2, SnO2, Sb2O4) and CoSb compound for the P-type material, after static and cyclic oxidation tests. The experimental work in this study has, for the first time, demonstrated that the CrSi coatings developed with very high thermal stability and oxidation resistance can effectively protect both the N-type and P-type materials from oxidation and sublimation even during cyclic oxidation tests. The strong affinity of Cr and Si to oxygen can trap oxygen, retard its inward diffusion and thus protect the TE material substrate from oxidation. This finding could pave the way towards the further development of long-life high-performance TE generators and devices, thus contributing to the net zero target.

Thermodynamic Properties of the Glass-Forming Ternary (Fe, Co, Ni, Cu)–Ti–Zr Liquid Alloys II. Temperature–Concentration Dependence of Thermodynamic Mixing Functions and Chemical Ordering in Liquid Alloys

Thermodynamic Properties of the Glass-Forming Ternary (Fe, Co, Ni, Cu)–Ti–Zr Liquid Alloys II. Temperature–Concentration Dependence of Thermodynamic Mixing Functions and Chemical Ordering in Liquid Alloys

Brazing Zircaloy-4 to Ti3AlC2 using Ti–Zr–Cu–Ni amorphous alloys: Microstructural evolution and mechanical properties

Brazing of Zircaloy-4 (Zr-4) to Ti3AlC2 ceramic was investigated using a Ti–13Zr–21Cu–9Ni (wt.%) amorphous braze alloy (ABA) at temperatures ranging from 840 °C to 990 °C for 5 min. The interfacial reactions of the brazed joint were comprehensively analyzed, revealing a distinct multilayer structure consisting of Ti3AlC2/ZrC/α-Zr(Ti) + [Zr(Ti)]2Cu + [Zr(Ti)]2[Cu(Ni)]/α-Zr(Ti)/α-Zr. The formation of the ZrC carbide particle layer primarily results from the reaction between the molten ABA and decomposed Ti3AlC2 caused by the de-intercalation of Al. Additionally, the dissolution of Zr-4 into the ABA induces an alteration in the composition of the Zr-4/ABA interface, leading to the formation of α-Zr(Ti) isothermal solidification dendrites. The effect of brazing temperature on the mechanical properties of the joint was investigated and detailed fracture analysis was conducted to determine the failure mechanism. The fracture path result indicated that the joint primarily fractured within the ZrC layer due to the mismatch of hardness, rather than within the reticular [Zr(Ti)]2[Cu(Ni)] segregation phase. The maximum shear strength of the brazed Ti3AlC2/Zr-4 joint with an average strength of 187 ± 34 MPa was achieved by brazing at 930 °C for just 5 min. With the increase in brazing temperature, the thickness of the ZrC ceramic layer became thicker in an undulating manner, and the content of Zr-based alloy particles in the ZrC layer increased gradually, resulting in a slight decrease in the bearing capacity of the joint. The presented results provide valuable insights into the microstructural evolution, interfacial reactions, and mechanical properties of the Ti3AlC2/Zr-4 brazed joints using amorphous alloys.

Influence of multiphase microstructure on the strength and ductility of Nb–Zr–Ti–V refractory high entropy alloys

In this investigation, we focused on the lightweight Nb–Zr–Ti–V alloys as representative model alloys to explore improving mechanical properties of refractory high entropy alloys (RHEAs) through phase engineering. The alloys were deliberately designed with different element concentrations and varied cooling rates after homogenization treatment, resulting in formation of multiple secondary phases. Microstructures of prepared alloys were reported, revealing the decomposition of the BCC matrix into dual-BCC phases with increasing V content. We attribute this phenomenon to the substantial atomic size misfit between V and Zr. Additionally, a metastable FCC phase and an intermetallic Laves phase emerged at intermediate temperatures in Nb0.75ZrTiV0.75, influenced by the nonequilibrium condition during cooling and the enthalpic effect. Compression tests were performed to access mechanical characteristics of different phases. The dual-BCC phases, featuring granular or multilayer morphology, enhanced ductility of the alloy by facilitating dislocation movement at BCC interfaces. In contrast, the FCC and Laves phases, characterized by a needle-like morphology, increased strength of the alloy owing to their intrinsic hardness. Based on the current discovery and understanding on secondary phases in the Nb–Zr–Ti–V alloys, our future objective is to obtain a modulated microstructure with an appropriate combination of different phases to optimize strength and ductility simultaneously.

Computationally guided alloy design and microstructure-property relationships for non-equiatomic Ti–Zr–Nb–Ta–V–Cr alloys with tensile ductility made by laser powder bed fusion

Single-phase body-centered cubic refractory complex concentrated alloys (RCCAs), exhibit strength retention at temperatures above the melting points of conventional Ni-based superalloys. However, their lack of room temperature tensile ductility leads to cracks during processing and/or premature failure under mechanical loading when fabricated by laser-based metals additive manufacturing (AM). We present an alloy design framework for tensile ductility in non-equimolar RCCAs amenable to AM processing within the Ti–V–Cr–Nb–Zr–Ta system. First, density functional theory (DFT) and machine learning informed screening of alloy compositions were used to down-select ∼106 alloys with potential for tensile ductility. Next, Scheil solidification modeling was used to eliminate compositions most at risk for micro-segregation and solidification cracking based on the estimated freezing range of each alloy. This led to the design of two new, representative alloys: Ti0.4Zr0.4Nb0.1Ta0.1 and Ti0.486V0.375Ta0.028Cr0.111. These alloys were evaluated for rapid solidification defect formation using in-situ synchrotron melt pool imaging, fabricated via laser powder bed fusion (L-PBF) AM, and then characterized for processing defects, microstructure, and mechanical properties. Overall, both alloys achieved tensile yield strengths >800 MPa and failure strains >5 %. However, the occurrence of un-melted powders of high melting point elements likely resulted in premature failure during tensile straining. Considerations about mitigating this defect source are discussed and the role of local micro-segregation on ductility are elucidated. Overall, these results highlight the success of our framework, and show potential for laser-based AM-RCCAs with tensile ductility.

Sputtered zirconium based metallic glassy thin films onto electrospun PCL nanofibrous scaffolds for enriching bioactivity

Surface modification of electrospun Polycaprolactone (PCL) nanoscaffold is to enhance surface properties, particularly bioactivity. In this paper, electrospinning was employed to produce PCL nanoscaffolds and enhancing the bioactivity of the electrospun PCL scaffolds by sputtering of Zirconium based thin film metallic glasses (Zr -TFMGs). The Energy Dispersive Spectroscopy (EDS) analysis exhibited the presence of Zr, Ti and Si and surface topography by Atomic Force Microscopy (AFM) revealed the smooth surface of metallic glasses with nanofibrous structures. The sputtered samples were subjected to immersion test in Simulated Body Fluid (SBF) to analyze the apatite forming ability of Zr–Ti–Si metallic glasses. After 21days of incubation, SEM clearly showed the spherical structures of apatite formed on the surface of modified electrospun PCL. Cell viability studies using L929 fibroblast cells indicates the higher proliferation rate for the Zr based TFMG sputtered PCL scaffold specimen than the uncoated neat PCL scaffold and indicating the bioactive nature of Zr based TFMG. Contact angle of TFMG sputtered sample exhibited the hydrophobic surface which is helpful in preventing the biomedical devices from blood coagulation.

Investigation on activation characterization, secondary electron yield, and surface resistance of novel quinary alloy Ti–Zr–V–Hf–Cu non-evaporable getters

The performance of next-generation particle accelerators has been adversely affected by the occurrence of electron multipacting and vacuum instabilities. Particularly, minimization of secondary electron emission (SEE) and reduction of surface resistance are two critical issues to prevent some of the phenomena such as beam instability, reduction of beam lifetime, and residual gas ionization, all of which occur as a result of these adverse effects in next-generation particle accelerators. For the first time, novel quinary alloy Ti–Zr–V–Hf–Cu non-evaporable getter (NEG) films were prepared on stainless steel substrates by using the direct current magnetron sputtering technique to reduce surface resistance and SEE yield with an efficient pumping performance. Based on the experimental findings, the surface resistance of the quinary Ti–Zr–V–Hf–Cu NEG films was established to be 6.6 × 10−7 Ω m for sample no. 1, 6.4 × 10−7 Ω m for sample no. 2, and 6.2 × 10−7 Ω m for sample no. 3. The δmax measurements recorded for Ti–Zr–V–Hf–Cu NEG films are 1.33 for sample no. 1, 1.34 for sample no. 2, and 1.35 for sample no. 3. Upon heating the Ti–Zr–V–Hf–Cu NEG film to 150 °C, the XPS spectra results indicated that there are significant changes in the chemical states of its constituent metals, Ti, Zr, V, Hf, and Cu, and these chemical state changes continued with heating at 180 °C. This implies that upon heating at 150 °C, the Ti–Zr–V–Hf–Cu NEG film becomes activated, showing that novel quinary NEG films can be effectively employed as getter pumps for generating ultra-high vacuum conditions.