In this study, first-principles calculations were utilized to investigate the lattice constants, elastic constants, and mechanical properties of gold–copper (Au–Cu) intermetallic compounds (IMCs), including AuCu3, AuCu, and Au3Cu. We also verified the direction dependence of the Young’s modulus, shear modulus, and Poisson’s ratio of the compounds. The calculated lattice parameters agreed with the experimental data, and the single-crystal elastic constants, elastic modulus E, shear modulus G, bulk modulus B, and Poisson’s ratio ν were calculated. For the Young’s and shear moduli, AuCu3 showed the highest anisotropy, followed by AuCu and Au3Cu. The Poisson’s ratios of AuCu3 and Au3Cu crystals were isotropic on (100) and (111) crystal planes and anisotropic on the (110) crystal plane. However, the Poisson’s ratio of the AuCu crystal was anisotropic on (100) and (111) crystal planes and isotropic on the (110) crystal plane.@en

Full intermetallic compound (IMC) solder joints present fascinating advantages in high-temperature applications. In this study, the mechanical properties and elastic anisotropy of η’-Cu6Sn5 and Cu3Sn intermetallic compounds were investigated using first-principles calculations. The values of single-crystal elastic constants, the elastic (E), shear (G), and bulk (B) moduli, and Poisson’s ratio (ν) were identified. In addition, the two values of G/B and ν indicated that the two IMCs were ductile materials. The elastic anisotropy of η’-Cu6Sn5 was found to be higher than Cu3Sn by calculating the universal anisotropic index. Furthermore, an interesting discovery was that the above two types of monocrystalline IMC exhibited mechanical anisotropic behavior. Specifically, the anisotropic degree of E and B complied with the following relationship: η’-Cu6Sn5 > Cu3Sn; however, the relationship was Cu3Sn > η’-Cu6Sn5 for the G. It is noted that the anisotropic degree of E and G was similar for the two IMCs. In addition, the anisotropy of the B was higher than the G and E, respectively, for η’-Cu6Sn5; however, in the case of Cu3Sn, the anisotropic degree of B, G, and E was similar. @en

Recent experiments showed that thinning gallium, iron selenide and 2H tantalum disulfide to single/several monoatomic layer(s) enhances their superconducting critical temperatures. Here, we characterize these superconductors by extracting the absolute values of the London penetration depth, the superconducting energy gap, and the relative jump in specific heat at the transition temperature from their self-field critical currents. Our central finding is that the enhancement in transition temperature for these materials arises from the opening of an additional superconducting gap, while retaining a largely unchanged 'bulk' superconducting gap. Literature data reveals that ultrathin niobium films similarly develop a second superconducting gap. Based on the available data, it seems that, for type-II superconductors, a new superconducting band appears when the film thickness becomes smaller than the out-of-plane coherence length. The same mechanism may also be the cause of enhanced interface superconductivity.

@en

The electrochemical behavior of Nd(III) and its coreduction with Mg(II) were investigated on a molybdenum electrode at 1023 K in eutectic NaCl-KCl melts. The results indicate that the reduction of NdCl₃ in NaCl-KCl melts is a one-step process with three electrons exchanged, and the reaction is an irreversible diffusion-controlled process at low scan rate with the calculated diffusion coefficient of about 6.8 × 10^-5 cm² s^-1. After MgCl₂ is introduced to the melts, the reduction of Nd(III) takes place at a more positive potential value due to the formation of Mg-Nd intermetallic compounds through electrochemical co-deposition and chemical reduction of Nd(III) ions by preferentially deposited Mg. The solid intermetallic compounds of Mg₃Nd, Mg₂Nd, and MgNd observed in open circuit chronopotentiometry curves are transformed to thermodynamically more stable Mg-rich phases of Mg₁₂Nd and Mg₄₁Nd₅ when potentiostatic electrolysis at -2.10 V. It has been confirmed by X-ray diffraction and SEM-EDS microscopy that the cathodic deposits are composed of Mg, Mg₁₂Nd, Mg₄₁Nd₅, and Nd. The present results confirm that it is an effective method for recycling of neodymium from waste NdFeB magnets by means of electrochemical formation of Mg-Nd alloys from NaCl-KCl-MgCl₂-NdCl₃ melts.

@en