The behaviour of hydrogen permeation and diffusion in amorphous alloy Ni68Cr7Si8B14Fe3 hasbeen investigated by an ultrahigh vacuum gas permeation technique. A comparison experimentwas carried out between the as-quench...The behaviour of hydrogen permeation and diffusion in amorphous alloy Ni68Cr7Si8B14Fe3 hasbeen investigated by an ultrahigh vacuum gas permeation technique. A comparison experimentwas carried out between the as-quenched and annealed States (400℃/2h) of the amorphousalloy. The results show that, for both states of the amorphous alloy in the temperature rangeof 200～350℃, the diffusivity and permeability of hydrogen are in agreement with Arrheniusrelationship, there does not exist H-trapping effect, and the activation energies of diffusion andpermeation almost keep the same.展开更多
The homogeneous plastic flow of fully amorphous and partially crystallized Zr(41.2)Ti(13.8)Cu(12.5)Ni(10)Be(22.5) bulk metallic glass (Vitl) has been investigated by compression tests at high temperatures in supercool...The homogeneous plastic flow of fully amorphous and partially crystallized Zr(41.2)Ti(13.8)Cu(12.5)Ni(10)Be(22.5) bulk metallic glass (Vitl) has been investigated by compression tests at high temperatures in supercooled liquid region. Experimental results show that at sufficiently low strain rates, the supercooled liquid of the fully amorphous alloy reveals Newtonian flow with a linear relationship between the flow stress and strain rate. As the strain rate is increased, a transition from linear Newtonian to nonlinear flow is detected, which can be explained by the transition state theory. Over the entire strain rate interval investigated, however, only nonlinear flow is present in the partially crystallized alloy, and the flow stress for each strain rate is much higher. It is found that the strain rate-stress relationship for the partially crystaltized alloy at the given temperature of 646 K also obeys the sinh law derived from the transition state theory, similar to that of the initial homogeneous amorphous alloy. Thus, it is proposed that the flow behavior of the nanocrystalline/amorphous composite at 646 K is mainly controlled by the viscous flow of the remaining supercooled liquid.展开更多
A series of clusters Ni4P are designed to simulate the amorphous alloy Ni80P20. After the cluster models are computed by DFT, several stable structures are gained. Their geometric, electronic and catalytic properties ...A series of clusters Ni4P are designed to simulate the amorphous alloy Ni80P20. After the cluster models are computed by DFT, several stable structures are gained. Their geometric, electronic and catalytic properties have been analyzed and discussed. It is proved that cluster Ni4P can reflect the amorphous alloy Ni80P20 very well from the geometry parameters. We find the deformed triangle dipyramid with quadruplet state （configuration 1^（4）） is the most stable structure for cluster Ni4P, which is the most possible local structure in amorphous alloy Ni80P20. And the transition energy between two isomers with the same multiple state is higher than the one with the different. Bond Ni-P plays a very important role in offering the system stability for cluster Ni4E P is the electron donor, and Ni is the accepter in cluster Ni4P, which is in accordance with the experiment results. The 3d orbital populations and Fermi levels of clusters Ni4 have been decreased with the addition of atom E Based on the research of Fermi levels of clusters Ni4P to approach the Fermi level of H2 and their density of state （DOS）, the highest catalytic active property in cluster Ni4P is owned to configuration 1^（4）.展开更多
文摘The behaviour of hydrogen permeation and diffusion in amorphous alloy Ni68Cr7Si8B14Fe3 hasbeen investigated by an ultrahigh vacuum gas permeation technique. A comparison experimentwas carried out between the as-quenched and annealed States (400℃/2h) of the amorphousalloy. The results show that, for both states of the amorphous alloy in the temperature rangeof 200～350℃, the diffusivity and permeability of hydrogen are in agreement with Arrheniusrelationship, there does not exist H-trapping effect, and the activation energies of diffusion andpermeation almost keep the same.
文摘The homogeneous plastic flow of fully amorphous and partially crystallized Zr(41.2)Ti(13.8)Cu(12.5)Ni(10)Be(22.5) bulk metallic glass (Vitl) has been investigated by compression tests at high temperatures in supercooled liquid region. Experimental results show that at sufficiently low strain rates, the supercooled liquid of the fully amorphous alloy reveals Newtonian flow with a linear relationship between the flow stress and strain rate. As the strain rate is increased, a transition from linear Newtonian to nonlinear flow is detected, which can be explained by the transition state theory. Over the entire strain rate interval investigated, however, only nonlinear flow is present in the partially crystallized alloy, and the flow stress for each strain rate is much higher. It is found that the strain rate-stress relationship for the partially crystaltized alloy at the given temperature of 646 K also obeys the sinh law derived from the transition state theory, similar to that of the initial homogeneous amorphous alloy. Thus, it is proposed that the flow behavior of the nanocrystalline/amorphous composite at 646 K is mainly controlled by the viscous flow of the remaining supercooled liquid.
文摘A series of clusters Ni4P are designed to simulate the amorphous alloy Ni80P20. After the cluster models are computed by DFT, several stable structures are gained. Their geometric, electronic and catalytic properties have been analyzed and discussed. It is proved that cluster Ni4P can reflect the amorphous alloy Ni80P20 very well from the geometry parameters. We find the deformed triangle dipyramid with quadruplet state （configuration 1^（4）） is the most stable structure for cluster Ni4P, which is the most possible local structure in amorphous alloy Ni80P20. And the transition energy between two isomers with the same multiple state is higher than the one with the different. Bond Ni-P plays a very important role in offering the system stability for cluster Ni4E P is the electron donor, and Ni is the accepter in cluster Ni4P, which is in accordance with the experiment results. The 3d orbital populations and Fermi levels of clusters Ni4 have been decreased with the addition of atom E Based on the research of Fermi levels of clusters Ni4P to approach the Fermi level of H2 and their density of state （DOS）, the highest catalytic active property in cluster Ni4P is owned to configuration 1^（4）.
