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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

Van Hove奇异性、非电声作用与HgBa2Cun-1CunO2n+2+δ(n=1,2,3)系统的超导电性

张霞 , 苏希玉 , 侯芹英 , 侯艳丽

低温物理学报 doi:10.3969/j.issn.1000-3258.2008.03.011

考虑态密度的Van Hove奇异性和非电声作用,我们在BCS理论框架内研究了HgBa2Cun-1CunO2n+2+δ(n=1,2,3)系统的超导转变温度和同位素效应.结果表明,当同时考虑Van Hove奇异性和非电声作用时,可以更好地解释HgBa2Cun-1CunO2n+2+δ(n=1,2,3)系统的超导性质.

关键词: Van Hove奇异性 , 非电声作用 , 超导转变温度 , 同位素效应

Studies on the spin-Hamiltonian parameters of CuN(6) clusters and their tetragonal distortions due to Jahn-Teller effect for Cu(2+) in trigonal M(1-propyltetrazole)(6)(BF(4))(2) (M = Zn, Fe) crystals

Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy

This paper reports the theoretical calculations for the anisotropic and isotropic spin-Hamiltonian parameters (g factors and the hyperfine structure constants) of tetragonal CuN(6) octahedral clusters due, respectively, to the static and dynamic Jahn-Teller effects for Cu(2+) ion in the trigonal M(=Zn, Fe) sites of M(1-propyltetrazole)(6)(BF(4))(2) crystals. The calculations are carried out using the high-order perturbation formulas based on a two-mechanism model, in which besides the contributions to spin-Hamiltonian parameters due to the crystal-field mechanism concerning the crystal-field excited states in the extensively used crystal-field theory, the contributions due to charge-transfer mechanism concerning the charge-transfer excited states (which are neglected in the crystal-field theory) are included. The calculated results are in reasonable agreement with the experimental values. From the calculations the tetragonal elongations Delta R= R(parallel to) R(perpendicular to) (where R(parallel to) and R(perpendicular to) denote the Cu-N distances parallel with and perpendicular to the C(4) axis) of CuN(6) octahedral clusters due to Jahn-Teller effect are obtained. The results are discussed. (C) 2010 Elsevier B.V. All rights reserved.

关键词: Electron paramagnetic resonance;Crystal- and ligand-field theory;Jahn-Teller effect;M(1-propyltetrazole)(6)(BF(4))(2) (M = Zn, Fe);Cu(2+);atomic screening constants;electron-paramagnetic-res;single-crystal;sulfate hexahydrate;charge-transfer;scf functions;epr;ions;field;copper(ii)

Ion sputter erosion in metallic glass-A response to "Comment on: Homogeneity of Zr(64.13)Cu(15.75)Ni(10.12)Al(10) bulk metallic glass" by L-Y. Chen, Y-W. Zeng, Q-P. Cao, B-J. Park, Y-M. Chen, K. Hono, U. Vainio, Z-L. Zhang, U. Kaiser, X-D. Wang, and J-Z Jiang J. Mater. Res. 24, 3116 (2009)

Journal of Materials Research

The morphology of the dark and bright regions observed by transmission electron microscopy for the Zr(64.13)Cu(15.75)Ni(10.12)Al(10) bulk metallic glass strongly depends on the ion beam parameters used for ion milling. This indicates that the ion beam could introduce surface fluctuation to metallic glasses during ion milling.

关键词: room-temperature

DYNAMIC MECHANICAL BEHAVIOURS OF HIGH Mo AUSTENITIC STAINLESS STEEL DURING HOT DEFORMATION

XU Yourong , GU Qing , WANG Deying , Shanghai University of Science and Technology , Shanghai , ChinaGU Jufang , Q U Tiancai , Shanghai Iron and Steel Research Institute , Shanghai , China XU Yourong , Professor , Department of Materials Science , Shanghai University of Science and Technology , Shanghai 201800 , China

金属学报(英文版)

The dynamic mechanical behaviours of super low carbon high Mo austenitic stainless steel (00Cr20Nil8Mo6CuN)during hot deformation have been studied by using Formaster-Press hot working simulator. The hot deformation equation, as well as the relationship between peak strain, peak stress and Zener-Hollman parameter, together with the deformation activation energy have been resulted through the experiments.

关键词: hot deformation , null , null , null , null

Improved Nonlinear Equation Method for Numerical Prediction of Jominy EndQuench Curves

SONG Yuepeng , LIU Guoquan , LIU Shengxin , LIU Jiantao , FENG Chengming

钢铁研究学报(英文版)

Without considering the effects of alloying interaction on the Jominy endquench curves, the prediction results obtained by YU Baihai′s nonlinear equation method for multialloying steels were different from those experimental ones reported in literature. Some alloying elements have marked influence on Jominy endquench curves of steels. An improved mathematical model for simulating the Jominy endquench curves is proposed by introducing a parameter named alloying interactions equivalent (Le). With the improved model, the Jominy endquench curves of steels so obtained agree very well with the experimental ones.

关键词: Jominy endquench curve;nonlinear equation method;alloying interaction parameter;computer simulation

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