Elastic properties of Nb-based alloys by using the density functional theory

A first-principles density functional approach is used to study the electronic and the elastic properties of Nb15X （X = Ti, Zr, Hf, V, Ta, Cr, Mo, and W） alloys. The elastic constants cn and c12, the shear modulus CI, and the elastic modulus E（lOO） are found to exhibit similar tendencies, each as a function of valence electron number per atom （EPA）, while c44 seems unclear. Both cu and c12 of Nb15X alloys increase monotonically with the increase of EPA. The C/ and E000） also show similar tendencies. The elastic constants （except c44） increase slightly when alloying with neighbours of a higher d-transition series. Our results are supported by the bonding density distribution. When solute atoms change from Ti（Zr, Hf） to V（Ta） then to Cr（Mo, W）, the bonding electron density between the central solute atom and its first neighbouring Nb atoms is increased and becomes more anisotropic, which indicates the strong interaction and thus enhances the elastic properties of Nb-Cr（Mo, W） alloys. Under uniaxial {100） tensile loading, alloyed elements with less （more） valence electrons decrease （increase） the ideal tensile strength.

Feasibility of 0.02% Nb-Based Microalloyed Steel for the Application of One-Step Quenching and Partitioning Heat Treatment

To attain an enhanced combination of mechanical properties for low alloyed steel, the current study has been made to fulfill that growing need in the industry. Its results are introduced within this paper. One step Quenching and Partitioning (Q&P) heat treatment has been applied on Niobium-based microalloyed steel alloy with 0.2 %C, in the form of 2 mm thickness sheets. The target of this study is to investigate the viability of applying that significantly recommended, results-wise, heat treatment on the highly well-suited alloy steel samples, to achieve the main target of enhanced properties. A single temperature of 275°C was used as quenching and Partitioning temperature. Four Partitioning periods (30, 200, 500, and 1000 Seconds) were used for soaking at the same temperature. The results were analyzed in the light of microstructural investigation and mechanical testing. All applied cycles did not enhance the strength but moderately improved the ductility and toughness, mainly caused by the slightly high soaking temperature used. Niobium impact of grain refining was apparent through all cycles. The cycle of 500 Seconds Partitioning time obtained optimum values at that particular temperature. The 1000 Seconds Cycle obtained the worst combination of properties. A set of recommendations are set. More research is required at this point, where a lower Partitioning temperature is advised. In the light of the applied combination of parameters, the Partitioning period at such temperature is advised to be between 500 and 1000 Seconds. A high probability that periods closer to 500 than 1000 Seconds will produce better results. More research is needed between those two values of Partitioning time to precisely determine the optimum time at that temperature on that specific alloy.

Lead-free Nb-based dielectric film capacitors for energy storage applications

Dielectric capacitors are the ideal energy storage devices because they have excellent power density,high working voltages,and a long lifespan.With its lower size and better energy storage density,film capacitors make them simpler to incorporate into circuits than traditional dielectric capacitor devices.Lead-free Nb-based perovskite ferroelectric/antiferroelectric films have strong orbital hybridization with O 2p orbitals due to unfilled d orbitals of Nb elements,forming a series of energy storage film materials with potential application value.Here,we provide an overview of the state-of-the-art lead-free Nb-based films for energy storage applications,which include K_(0.5)Na_(0.5)NbO_(3)-based,K_(0.5)Na_(0.5)Bi_(4)NbTi_(3)O_(15)-based,AgNbO_(3)-based and NaNbO_(3)-based films.An overview of the benefits and drawbacks of each kind of Nb-based perovskite ferroelectric/antiferroelectric films is provided,along with a description of the design tactics used to achieve high energy storage performances.

INFLUENCE OF COLD-WORKING AND HEAT TREATING ON ELASTIC PROPERTIES OF Nb AND Nb-BASE ALLOYS

The elastic limit of single-phase alloy Nb-2Mo-2Zr-1Ti is higher as recovered state in comparison with as cold-rolled or recrystallized one.For Nb-40Ti-5.5AI alloy of age-hardening type,the elastic limit is lower as cold-rolled state,but increases considerably after proper aging.However,its elastic modulus changes no more,so the stored-energy (σ_e^2/E)may raise significantly.The temperature dependence on elastic modulus for pure Nb as intensely cold-worked or recrystallized state is anomalous.This anomaly may disap- pear after recovered treatment of intensely cold-worked state at 600℃ for 4 h.and may change no more after that of recrystallized state.The anomalous behaviour of elasticity was also discussed on the non-magnetic Nb.

Vacancy engineering of oxidized Nb_(2)CTx MXenes for a biased nitrogen fixation

The artificial nitrogen(N_(2)) reduction reaction(NRR) via electrocatalysis is a newly developed methodology to produce ammonia(NH3) at ambient conditions,but faces the challenges in N_(2)activation and poor reaction selectivity.Herein,Nb-based MXenes are developed to remarkably enhance the NRR activity through the engineering of the stretched 3D structure and oxygen vacancies(VO).The theoretical studies indicate that N_(2)could be initially adsorbed on VOwith an end-on configuration,and the potential determining step might be the first hydrogenation step.The catalysts achieve an NH3production rate of 29.1 μg h^(-1)mg_(cat)^(-1)and excellent Faradic efficiency of 11.5%,surpassing other Nbbased catalysts.The selectivity of NRR is assigned to the unique structure of the catalysts,including(1) the layered graphitic structure for fast electron transfer and active site distribution,(2) the reactive VOfor N_(2)adsorption and activation,and(3) the expanded interlayer space for mass transfer.

Grain refining of Er added to Ti-22Al-25Nb alloy and morphology of erbium precipitates

In order to investigate the effect of erbium （Er） on the microstructure of orthorhombic Ti2A1Nb-based alloys, four testing alloys were prepared by adding differ- ent contents of the rare earth metal Er to Ti-22A1-25Nb alloy and optical microscopy, X-ray diffraction, scanning electron microscopy, electron probe microanalysis, energy- dispersive spectrometry, and transmission electron microscopy were used. The results show that the addition of Er is capable of grain refining and the refinement effect is more obvious with increasing content of Er. The Er203 dispersoids formed by internal oxidation and A13Er com- pound particles are observed in Er-doped alloys and the number of Er precipitates is increased with increasing Er addition. It is likely that the solubility of Er in the Ti2A1Nb alloy is very low and Er precipitates tend to segregate at grain boundaries, which together with the surface activity of rare earth elements is supposed to decrease the prior B2 grain size of Ti-22A1-25Nb alloy effectively.