材料期刊网

Computerized Simulation on the Structure of Cryolite-Alumina Melts

XIE Gang , QIU Zhuxian , XU Chi , CHEN Nainyi Northeast University of Technology , Shenyang , China. Shanghai Institute of Metallurgy , Academia Sinica , Shanghai , China. To whom correspondence should be addressed.

材料科学技术（英）

Monte Carlo calculations were performed on liquid ionic solution of saturated alumina in cryolite melt containing a total of 205 ions. The local structure and radial distribution functions of the melt were computerized by Monte Carlo method at 1283 K. It has been found that there exist the complex ionic clusters such as AlOF_3~(2-), AlOF_4~(3-), AlF_4~-, AlF_5~(2-), AlOF_2~- etc., as well as oxygen-bridge and flourine-bridge ionic clusters. In the melt studied, Al~(3+) ions tend to have preferential even coordination number of 4F~- ions.

关键词: Monte Carlo method , null , null , null , null

Studies of the anion position parameter chi of the ternary semiconductor CuGaS2 by use of Ni+ ion probe

Materials Science and Engineering B-Solid State Materials for Advanced Technology

The anion position parameter chi of NiS4 cluster formed in the ternary semiconductor CuGaS2 by substitution of Ni+ for Cu+ has been determined by studying the optical spectra and EPR data for CuGaS2:Ni+. The result (chi approximate to 0.263(1)) is consistent with the mean value of the X-ray measurement results reported in two groups of references and also with the calculated value obtained from the conservation of tetrahedral bonds (CTB) plus eta = eta(tet) rule (where eta = c/2a). So, we suggest that the anion position parameter chi in pure CuGaS2 crystal is close to the above value obtained by use of Ni+ ion probe. The optical absorption bands and g factors g(parallel to), g(perpendicular to), of CuGaS2: Ni+ are therefore explained reasonably from the anion position parameter. (C) 2003 Elsevier B.V. All rights reserved.

关键词: structural parameter;electron paramagnetic resonance (EPR);optical;spectrum crystal-field theory;CuGaS2;Ni+;chalcopyrite semiconductors;superposition model;crystal

Professor XU Zhong-yu and his research activities

新型炭材料

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On the Indeterminacy in Hardness of Shape Memory Alloys

F.T.Cheng

材料科学技术（英）

The present communication addresses an interesting problem related to the indeterminacy in hardness of superelastic NiTi reported by Xu et al. The origin of the indeterminacy is attributed to the inadequacy of the conventional Vickers hardness testing measurement which does not record elastic deformation, and thus the indeterminacy may be removed with suitable techniques. Concepts of hardness in relation to deformation are clarified. Recommendations for measuring the hardness of NiTi and other elastic-plastic materials are suggested, together with comments on the advantages and disadvantages of each of these methods.

关键词: Hardness , null , null , null , null , null

Broer-Kaup-Kupershmidt方程的新精确解

杨立娟 , 杨琼芬 , 杜先云

量子电子学报 doi:10.3969/j.issn.1007-5461.2012.02.003

CK方法是求解非线性发展方程的一种有效的直接方法.利用推广的CK方法,求得(2+1)维Broer-Kaup-Kupershmidt方程的Backlund公式,从而获得方程的大量新的精确解,推广了Xu和Zhang的结果.

关键词: 非线性发展方程 , Broer-Kaup-Kupershmidt方程 , 精确解 , CK方法 , Backlund变换

Influences of variations of characteristic parameters of protein molecules on states of soliton transported bio-energy

International Journal of Modern Physics B

We simulate numerically the dynamic properties of new soliton with quasi-coherent two quanta in the improved model by fourth-order Runge-Kutta way. We observed that the window of formation of new soliton is shifted toward smaller values of coupling constants when compared with the Davydov's soliton with one quantum and Forner's soliton with two quantum model. The new soliton formation starts at (chi 1 + chi 2) = 20 PN, and pinning starts from (chi 1 + chi 2) = 86 PN. The pinned solitons are also observed if both quanta are on the same end of the chain in the initial state. The behaviors of new soliton are varied under influences for variations of characteristic parameters arising from the structure nonuniformity of protein molecules. Although the new soliton is also sensitive to the dipole-dipole interaction and diagonal disorder, the sensitivity to the impurity is weaker than that of the Davydov's and Forner's solitons. Therefore, the new soliton is robust against the fluctuations of coupled constant, dipole-dipole interaction and diagonal disorder arising from the impurity or structure nonuniformity, when compared with that of the Davydov's and Forner's solitons.

关键词: protein;bio-energy transport;soliton;structure nonuniformity;characteristic parameter;davydov soliton;living systems;improved model;thermodynamic;properties;biological temperature;finite-temperature;quantum;dynamics;disorder;lifetime

Thermodynamic analyses of strain-induced martensite transformation in Fe-7Mn-1.2C alloy

Jingpei XIE , Yaomin ZHU , Xiaoping WANG

材料科学技术（英）

The M-s temperature, Delta G(gamma-->alpha), Delta G(gamma-->M) and mechanical energy under a non-severe impact loading in a medium manganese steel (Fe-7Mn-1.2C) have been calculated by means of Xu's Fe-X-C model. The relation between the yield strength of austenite and the driving force for martensite transformation has been established. It is proved that the martensite transformation can take place in a medium manganese steel (Fe-7Mn-1.2C alloy) under a non-severe impact loading.

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磷在12Cr1MoV钢中非平衡晶界偏聚动力学的实验研究

李莉 , 李庆芬 , 郑磊 , 徐庭栋 , 杜善义

钢铁研究学报

以工业用12Cr1MoV钢为研究对象,通过俄歇电子能谱分析方法(AES),对磷在恒温过程中的非平衡晶界偏聚浓度进行了测定.获得的磷在钢中的非平衡晶界偏聚动力学曲线直接验证了非平衡晶界偏聚动力学理论中的Xu-Song模型.

关键词: 晶界偏聚 , 临界时间 , 扩散 , 钢

Effects of Mo on the Precipitation Behaviors in High-Nitrogen Austenitic Stainless Steels

Feng Shi

材料科学技术（英）

Precipitation behaviors of Fe-18Cr-18Mn-0.63N and Fe-18Cr-18Mn-2Mo-0.69N high-nitrogen austenitic stainless steels during isothermally aging at 850°C have been investigated by optical microscopy (OM), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray diffraction (XRD). The experimental results show that precipitation displays a discontinuous cellular way and the precipitates are identified as Cr₂N in Fe-18Cr-18Mn-0.63N steel. The addition of Mo makes precipitation occur not only at the grain boundary but also inside the grain and precipitation also displays discontinuous cellular way. The precipitates at the grain boundary and in the cell are both identified as Cr₂N phase and χ phase and the precipitates inside the grain are identified as Χ phase in Fe-18Cr-18Mn-2Mo-0.69N steel. The nucleations of  Χ phase and Cr₂N phase at the grain boundary are both governed by the diffusion of Cr atoms. The formation and growth of χ phase inside the grain are induced by the impoverishment of N atoms with increasing aging time.

关键词: Austenitic stainless steel

时效温度对铸造超级双相不锈钢析出相的影响

向红亮何福善刘东

金属学报

对固溶处理后的铸造超级双相不锈钢材料进行时效处理, 利用OM, SEM, XRD和TEM分析了时效温度对析出相的影响. 结果表明, 固溶后经时效处理, 金属间相在铁素体内和铁素体/奥氏体晶界析出; 650℃时效时, 析出的金属间相主要是χ相; 750℃时效时析出σ相和χ相, 此时σ相由χ相演变而来; 850℃时效下则直接析出σ相; 950℃时效后, 少量的σ相仅在铁素体/奥氏体晶界产生.

关键词: 铸造超级双相不锈钢 , aging temperatures , σ phase , χ phase