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HYDROGEN STORAGE PROPERTIES OF Mg MODIFIED WITH TETRAHYDROFURAN

AO Ming , WANG Qidong Zhejiang University , Hangzhou China Dept.of Materials Science , Zhejiang University , Hangzhou 310013 , China

金属学报(英文版)

The hydriding and dehydriding behaviors of tetrahydrofuran modified Mg,its electronic struc- ture,crystal structure,micro-morphology as well as its stability have been investigated.The modifield Mg absorbs 3.5 wt-% hydrogen at 643 K in 3.5 MPa H_2,its hydride gives off 3.2 wt-% hydrogen at 643 K in a vaccum of 1.3 Pa after 20 cycles of hydriding and dehydriding. Tetrahydrofuran alters the electronic structure of Mg but keeps its crystal strueture unchanged.In hydriding products,a new hydride phase is found in addition to the known MgH_2 phase.The hydride formed from Mg is polv-erystalline.The wide-spreading slip bands and twins within crystals indicate that the transformation during absorption of hydrogen causes serious lattice distortions.

关键词: Mg , null , null , null , null

Two-step magnetization in a spin-chain system on the triangular lattice: Wang-Landau simulation

Physical Review B

The Wang-Landau algorithm is used to study the thermodynamic and magnetic properties of triangular spin-chain system based on two-dimensional Ising model in order to understand the magnetic-order dynamics in Ca(3)Co(2)O(6) compound. The calculated results demonstrate that the equilibrium state of the rigid spins produces the two-step magnetization curve at low temperature even when the random-exchange term is considered. This work indicates that the four-step magnetization behavior observed experimentally must be due to the nonequilibrium magnetization.

关键词: calcium compounds;exchange interactions (electron);Ising model;magnetisation;thermodynamics;one-dimensional ca3co2o6;density-of-states;compound ca3co2o6;phase-diagram;proteins;crystal

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