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BP Neural Network of Continuous Casting Technological Parameters and Secondary Dendrite Arm Spacing of Spring Steel

JIANG Li-hong , WANG Ai-guo , TIAN Nai-yuan , ZHANG Wei-cun4 , FAN Qiao-li4

钢铁研究学报(英文版)

The continuous casting technological parameters have a great influence on the secondary dendrite arm spacing of the slab, which determines the segregation behavior of materials. Therefore, the identification of technological parameters of continuous casting process directly impacts the property of slab. The relationships between continuous casting technological parameters and cooling rate of slab for spring steel were built using BP neural network model, based on which, the relevant secondary dendrite arm spacing was calculated. The simulation calculation was also carried out using the industrial data. The simulation results show that compared with that of the traditional method, the absolute error of calculation result obtained with BP neural network model reduced from 0.015 to 0.0005, and the relative error reduced from 6.76% to 0.22%. BP neural network model had a more precise accuracy in the optimization of continuous casting technological parameters.

关键词: continuous casting , technological parameter , secondary dendrite arm spacing , BP neural network

The crossover from parallel shift to fan-shape broadening of the superconducting transition of La(1.44)Nd(0.4)Sr(0.16)CuO(4) films in magnetic fields

Superconductor Science & Technology

In this paper we report the transport properties of c-axis-oriented superconducting La(1.44)Nd(0.4)Sr(0.16)CuO(4) films on LaSrAlO(4) substrates with different thicknesses in various magnetic fields parallel and perpendicular to the c axis of the films. It is found that with decreasing film thickness there is a crossover from the parallel shift to fan-shape broadening in the resistive transitions. Moreover, for both field configurations, the flux pinning potential U(0)(H) of the film shifts upward with an order of magnitude with increasing in-plane compressive strain. These results indicate that the compressive epitaxial strain and strain-induced destabilization of the static charge stripes are important aspects for the promotion of superconducting transition temperature as well as the flux pinning potential.

关键词: high-temperature superconductors;crystal thin-films;flux motion;la2-xsrxcuo4;strain;insulator;dependence;behavior

Li1-xCrxFePO4的微波合成研究

徐徽 , 刘卫平 , 苏元智 , 石西昌 , 杨喜云

材料导报

采用机械球磨结合微波法合成了Cr3+掺杂锂离子电池正极材料Li1-xCrx FePO4.通过X射线衍射(XRD)、扫描电镜(SEM)和恒电流充放电测试研究了Cr3+掺杂方式和掺杂量对样品的物相结构、形貌和电化学性能的影响.实验结果表明,微波法可以快速合成Li1-xCrx FePO4正极材料;以共沉淀掺杂方式合成的样品Li0.99 Cr0.01FePO4具有最好的电化学性能,在室温下以20mA/g进行充放电测试,其首次放电容量为153.59mAh/g,10次循环之后还有149.29mAh/g,容量保持率为97.20%.

关键词: LiFePO4 , 正极材料 , Cr3+掺杂 , 微波 , 锂离子电池

Studies of EPR parameters for Mn5+-doped Li3PO4 and Li3VO4 crystals

Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy

The EPR parameters (zero-field splitting D and g factors g(vertical bar vertical bar), g(perpendicular to)) of Mn5+-doped Li3PO4 and Li3VO4 crystals are calculated from the complete high-order perturbation formulas based on a molecular orbital scheme for a 3d(2) ion in tetragonal MX4 clusters. These formulas include not only the contribution coming from crystal-field excitations, but also that arising from charge-transfer excitations (which is discarded in crystal field theory). The calculated results are in reasonable agreement with the observed values. The contributions to EPR parameters coming from the charge-transfer excitations are comparable with those arising from the crystal-field excitations. It appears that for a high valence state 3d(n) ion in crystals, the reasonable explanations of EPR parameters should take the contributions due to both crystal-field and charge-transfer excitations into account. (c) 2006 Elsevier B.V. All rights reserved.

关键词: electron paramagnetic resonance (EPR);crystal;and ligand-field theory;charge transfer mechanism;Mn5+;Li3PO4;Li3VO4;atomic screening constants;oxo coordination;phase-transition;scf;functions;laser action;complexes;pressure;forsterite;covalency;ions

Synthesis and electrochemical properties of Li(4)Ti(5)O(12)

Journal of Alloys and Compounds

The spinel compound Li(4)Ti(5)O(12) was synthesized by a solid state method. In this synthesizing process, anatase TiO(2) and Li(2)CO(3) were used as reactants. The influences of reaction temperature and calcination time on the properties of products were studied. When calcination temperature was 750 degrees C and calcination temperature was 24 h, the products exhibited good electrochemical properties. Its discharge capacity reached 160mAh g(-1) and its capacity retention was 97% at the 50th cycle when the current rate was 1 C. When current rate increased to 10 C, its first discharge capacity could reach 136mAh g(-1), and its capacity retention was 85% at the 50th cycle. (C) 2011 Elsevier B.V. All rights reserved.

关键词: Inorganic compounds;Chemical synthesis;Electrochemical measurements;Electrochemical properties;spinel li4ti5o12;spray-pyrolysis;anode material;lithium;batteries;graphite

0.5Li3VO4-0.5Li4TiO4的溶胶-凝胶法合成及其离子导电性

宋秀芹 , 马建峰 , 贾密英

稀有金属 doi:10.3969/j.issn.0258-7076.1999.01.014

用非醇盐溶胶-凝胶法合成了组成和粒度均匀的锂离子导体0.5Li3VO4-0.5Li4TiO4超细粒子.用X射线衍射、TEM及交流阻抗等方法对产物进行了表征.产物中两相的相纯度各为50%,粒径在0.3 μm以下,室温下的离子电导率为7.10×10-6 s·cm-1.

关键词: 0.5Li3VO4-0.5Li4TiO4 , 溶胶-凝胶法 , 离子导电性

溶剂热电化学法制备Li3+xV1-xSixO4薄膜

祝宝军1 , 陶颖2 , 张旸1 , 郑锐1 , 邹小林1

无机材料学报 doi:10.3724/SP.J.1077.2010.00631

采用溶剂热电化学法, 于SiO2、V2O5、LiOH的乙醇溶液组成的反应体系中, 在Pt基体上制备出致密的Li3+xV1-xSixO4薄膜. XRD、IR、Raman分析表明, 薄膜结晶状态良好, 具有γ-Li3PO4型结构. 其化学组成为0.4 (Li4SiO4)- 0.6(Li3VO4). 薄膜中无Li2SiO3杂质相存在. 低沸点乙醇溶液体系, 能够提高反应釜内的压力, 有利于促进薄膜的生成. 组成元素在醇溶液体系离子浓度小, 薄膜生成速度小, 导致薄膜结构致密, 表面光滑.

关键词: 溶剂热电化学法 , solid electrolyte , film , thermodynamics analysis

Structural transition of Li(2)BeH(4) under high pressure: A first-principles study

Physical Review B

We present a systematic first-principles investigation of the high-pressure structural stability of Li(2)BeH(4). Our total-energy calculations show that at ambient pressure, the structure of alpha-Li(2)BeH(4) observed in experiments is more stable than the other proposed structures in this work and the structural transformation from alpha to beta (Cs(2)MgH(4) type; Pnma) occurs at 18.1 GPa, together with a volume reduction of 4.7%. A detailed study of their electronic structures under ambient pressure up to 30.0 GPa reveals that this behavior is closely related to the variation in the Be-H covalent bonding in the BeH(4) anionic subunits of Li(2)BeH(4). Based on a colligated analysis of the covalent bond number per unit area (N(a)) and the scaled bond overlap population (BOP(s)), beta-NaAlH(4) and beta-Mg(AlH(4))(2) are expected to be the most promising candidates for hydrogen storage among the other investigated materials. However, the improvement of hydrogen absorption and/or desorption for Li(2)BeH(4) is less significant.

关键词: hydrogen-storage materials;crystal-structure;electronic-structure;hydride;libeh3;phase;tungstate;alanates;solids

Oxygen Deficient Li4Ti5O12 for High-rate Lithium Storage

Journal of the Chinese Chemical Society

An oxygen deficient Li4Ti5O12 was investigated for lithium ion batteries (LIBs) in this work. Compared with nitrogen doping and pristine Li4Ti5O12, the oxygen deficient Li4Ti5O12 exhibits significant improvement of electrochemical performance, it could deliver a specific capacity of 75 mAh/g even at a high charge/discharge rate of 10C and exhibit excellent cycling performance. The results revealed in this work show that oxygen deficient control can be a promising way to improve high rate performance of the LIBs electrode materials.

关键词: Lithium ion batteries;Oxygen deficient;Li4Ti5O12;visible-light photocatalysis;li-ion batteries;electrochemical;performance;titanium-oxides;anode materials;insertion;electrode;powders

负极活性材料Li4Ti5O12的研究进展

陈方 , 梁海潮 , 李仁贵 , 刘力 , 邓正华

无机材料学报 doi:10.3321/j.issn:1000-324X.2005.03.004

介绍了负极材料Li4Ti5O12的物理特性和电化学性能,详细介绍并评述了Li4Ti5O12在锂离子电池和不对称型超级电容器中的应用情况,总结了Li4Ti5O12的不同合成方法及材料的电化学改性研究进展.

关键词: Li4Ti5O12 , 锂离子电池 , 超级电容器 , 合成

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