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CALCULATION OF 3-D TRANSIENT TEMPERATURE FIELD DURING LASER TRANSFORMATION HARDENING PROCESS

L. W Zhang , R.S. Wang , J. Th.M.De Hosson , Y.L. Xia and F. G. Wang 1) The State Key Lab. for Materials Modification by Laser , Ion and Electron Beams , Dalian University of Technology , Dalian 116023 , China 2) Department of Applied Physics , University of Groningen , The Netherlands

金属学报(英文版)

A three-dimensional transient heat transfer model for laser transformation hardening process has been developed in this paper. The finite size of the laser treated sample, the surface heat loss of the sample, the latent heat of phase transformation and the temperature dependence of thermal properties of materials were considered. The heat source was considered as a moving Gaussian heat flux with a constant velocity. Three-dimension unequally spatial grid explicit finite difference equations, alternating direction implicit finite difference equations and implicit finite difference equations were deduced respectively. Three programs to calculate the temperature field were developed using Fortran language. The transient temperature fields of C22, 42CrMo, C60 steel samples during laser transformation hardening process were calculated using these programs, and the widths and depths of laser transformation hardening zones were also predicted. C22, 42CrMo, C60 steel samples were treated by CO_2 laser,the widths and depths of laser transformation hardening zones of these samples were also measured experimentally. The calculated widths and depths of laser transformation hardening zones are in good agreement with the experimental results.

关键词: temperature field , null , null

Electron diffraction study on epsilon '' superstructure in the compound layer of ion-nitrided pure iron

Scripta Materialia

The epsilon-Fe2-3N nitrides in the compound layer of ion-nitrided pure iron were studied with transmission electron microscopy. A superlattice with lattice parameters (a" = 2aroot3 = 0.9294 nm, c" = c = 0.4382 run) bigger than those of epsilon hexagonal close packed unit (a = 0.2683 nm, c = 0.4382 nm), which was tentatively named as epsilon" superstructure, was investigated by electron diffraction method. A series of its diffraction patterns were recorded and the diffraction intensity was analyzed. (C) 2002 Acta Materialia Inc. Published by Elsevier Science Ltd. All rights reserved.

关键词: nitrides;ordering;crystal structure;electron diffraction;transmission electron microscopy;microscopy

PREPARATION OF ULTRAFINE POWDER OF Fe AND ZrO_2 WITH METASTABLE PHASES BY HIGH POWER LASER BEAMS

XU Huibin TAN Shusong Technische Universitat Berlin , FRG XU Huibin Dipl.-Ing , FB9 , Physikalische Ingenieurwissenschaft , HF1 , TU Berlin , 1000 Berlin 12 , FRG

金属学报(英文版)

The radiation of material surface by high intensity laser beams is used to produce the uhrafine powder of pure Fe and ZrO_2.The morphology,size and phases of the powder were examined by X-ray diffraetometer,scanning electron microscopy as well as transmission electron microscopy.In pure Fe a considerable quantity of γ-phase was found in the powder.In ZrO_2 powder,instead of stable phase,two metastable phases appeared.

关键词: laser beam , null , null

Theoretical study of electron paramagnetic resonance spectrum for Fe3+ ion in KMgF3 : Fe3+ system

Journal of Magnetism and Magnetic Materials

The electron paramagnetic resonance spectrum of the KMgF3:Fe3+ system has been studied on the basis of the complete energy matrices for the electron-electron repulsion, the ligand-field and the spin-orbit coupling of d(5) configuration ion with a trigonal symmetry. A two-layer-ligand model, which includes six F- ions in the first layer and eight next nearest-neighbor K+ ions in the second layer, has been proposed to describe the real ligand-field. By simulating the second-order and fourth-order EPR parameters D and (a - F) simultaneously, a displacement of a K+ ion along C-3-axis towards the Fe3+ ion has been found theoretically, and this displacement will give rise to the distortion of the octahedron constructed by six F- ligand ions in the first layer. Delta Z is used to describe the displacement of a K+ ion along C3-axis towards the Fe3+ ion, and two angles theta(1) and theta(2) between the Fe3+-F- band and C3-axis are taken to describe the local distortion along the [111] direction. By adjusting the Delta Z, the range of the local distortion parameters Delta theta(1) = 5.54 degrees-6.07 degrees, Delta theta(2) = -4.60 degrees to -5.00 degrees are determined, and the EPR spectrum of the KMgF3:Fe3+ system has been satisfactorily explained by the two-layer-ligand model. (c) 2006 Elsevier B.V. All rights reserved.

关键词: KMgF3 : Fe3+ system;local lattice structure distortion;EPR spectrum;ligand-field theory;superposition-model analysis;spin-hamiltonian parameters;single-crystals;doped kmgf3;field;kznf3;state;fe-3+;laser;mn2+

Unified calculations of the optical and electron paramagnetic resonance spectral data for Ce(3+) ion in Y(3)Ga(5)O(12) crystal

Physica B-Condensed Matter

Seven crystal field energy levels (obtained from the optical spectra) and three g factors g(x), g(y) and gz (obtained from electron paramagnetic resonance (EPR) spectra) for Ce(3+) ion in Y(3)Ga(5)O(12) crystal are calculated together by diagonalizing a complete energy matrix. The Hamiltonian of this energy matrix includes all the interactions for 4f(1) ion Ce(3+) in rhombic crystal field and under an external magnetic field, and so the optical and EPR data can be studied in a unified way. The calculated crystal field energy levels are in better agreement with the experimental values than the calculated values in the previous paper, and the g factors (which have not been calculated previously) are explained reasonably. The results are discussed. (C) 2011 Elsevier B.V. All rights reserved.

关键词: Optical spectrum;Electron paramagnetic resonance (EPR) spectrum;Crystal field theory;Y(3)Ga(5)O(12);Ce(3+);spin-hamiltonian parameters;energy-levels;spectroscopy;garnets;epr;lanthanides

Theoretical investigations of the electron paramagnetic resonance g factors for the trivalent cerium ion in LiYF4 crystal

Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences

The perturbation equations of the EPR parameters g(parallel to) and g(perpendicular to) for the lowest Kramers doublet of a 4f(1) ion in tetragonal symmetry are established. In these equations, the contributions of the covalency effects, the admixture between J = 7/2 and J = 5/2 states and the second-order perturbation (which is not considered previously) are included. The crystal field parameters for the studied Ce3+ center are calculated from the superposition model. Based on the above perturbation equations and related parameters, the EPR g factors for the Ce3+ center in LiYF4 crystals are reasonably explained. The results are discussed.

关键词: crystal field theory;electron paramagnetic resonance;superposition;model;Ce3+;LiYF4;superposition-model;spin-resonance;ce3+;balif3;field;laser

Determination of the local molecular structure of metal perchlorate complex from the electron paramagnetic resonance spectra for a substitution of Mn(2+) ion: a complete energy matrices study

Physica Status Solidi B-Basic Research

A simple theoretical method is introduced for studying the local molecular structure of the (MnO(6))(10) coordination complex. By diagonalizing the complete energy matrices of the electro-electron repulsion, the ligand field and the spin-orbit coupling for a d(5) configuration ion in a trigonal ligand field, the local distortion structure of the (MnO(6))(10) coordination complex for Mn(2-) ions in A PCC:Mn(2+) (PCC) - {[(CH(3))(2)N](2)OPOPO[N(CH(3))(2)](2)} (ClO(4))(2), A - Mg, Zn) complex systems is investigated. Both the second-order zero field splitting parameters b(2)(0) and the fourth-order zero field splitting parameter b(4)(0) are taken simultaneously in the structural investigation. From electron paramagnetic resonance (EPR) calculations, the local structure parameters R = 2.18 angstrom, theta = 56.38 degrees for Mn(2) ions in Mg PCC Mn(2+) and R = 2.20 angstrom, theta = 56.52 degrees for Mn(2+) complex systems are determined, respectively. It is found that the theoretical calculation results of the BPR spectra for Mn(2+) ions in A PCC:Mn(2+) complex systems are in good agreement with the experimental values. (c) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

关键词: single-crystals;epr-spectra;field epr;absorption;state;octamethylpyrophosphoramide;temperature;phase;salts;site

Electron paramagnetic resonance parameters of Mn(4+) ion in h-BaTiO(3) crystal from a two-mechanism model

Pramana-Journal of Physics

The EPR parameters (g factors g (aEuro-), g (aSyen) and zero-field splitting D) of Mn(4+) ion in h-BaTiO(3) crystal are calculated from the complete high-order perturbation formulas based on a two-mechanism model for the EPR parameters of 3d (3) ions in trigonal symmetry. In the model, not only the widely used crystal-field mechanism, but also the charge-transfer mechanism (which is not considered in crystal-field theory) are included. The calculated results are in reasonable agreement with the experimental values. The relative importance of charge-transfer mechanism to EPR parameters and the defect structure of Mn(4+) centre in h-BaTiO(3) crystal obtained from the calculations are discussed.

关键词: Electron paramagnetic resonance;two-mechanism model;defect structure;Mn(4+);h-BaTiO(3);atomic screening constants;scf functions;luminescence;impurities;spectrum

Effect of Cooling Rate and Deformation on Microstructures and Critical Phase-Transformation Temperature of Boron-Nickel Added HSLA H-Beams

WANG Xiao , WANG Zuo-cheng , WANG Xie-bin , WANG Yi-ran , GAO Jun-qing , ZHAO Xiu-ling

钢铁研究学报(英文版)

Microstructures and critical phase-transformation temperature of boron-nickel added Nb-treated high strength low alloy (HSLA) H-beams cooled at different cooling rate, with different deformation were investigated. Continuous cooling transformation (CCT) diagram of this new type of steel was obtained by using Gleeble 1500 thermomechanical simulator. Microstructures and hardness, especially micro-hardness of the experimental steel were investigated by optical microscopy (OM), scanning electron microscope (SEM), Rockwell and Vickers hardness tests. Phase analysis was also studied by X-ray diffraction (XRD). The results indicated that with increase of cooling rate, microstructures of continuous cooled specimens gradually transformed from polygonal ferrite and pearlite, grain boundary ferrite and bainite, bainite and martensite to single martensite. The CCT diagram revealed that slow cooling was needed to avoid austenite-bainite transformation to ensure toughness of this steel. By plastic deformation of 40%, austenite-ferrite transformation temperature increased by 46 ℃, due to deformation induced ferrite transformation during continuous cooling, but Rockwell hardness has little change.

关键词: thermomechanical simulation , HSLA H-beam , microstructure , CCT diagram

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