Thermodynamic optimization of the DyCl_3-KCl and DyCl_3-CaCl_2 systems

1 Introduction Molten salts are considered to be used as fluid tar-gets in the nuclear incineration of transuranic elementswith proto accelerators .The molten salts are also usedas the media in high temperature chemical reprocess-ing of spent nuclear fuel of fast reactors .The phase di-agrams of rare earth metal halides in combination withalkali metal halide systems are of pri me i mportance inapplication. The thermodynamic properties and phase diagramsof the DyCl3-MClnsystems ( M =alkali or…     

Thermodynamic Optimization of DyCl3 -NaCl System

In this paper, the phase diagram of the DyCl3 -NaCl system is optimized and calculated with CALPHAD ( calculation of phase diagram ) technology. A set of thermodynamic functions of compounds Na3 DyCl6, NaDyCl4, and NaDY2 Cl7 have been optimized and calculated based on an interactive computer-assisted analysis. The optimized thermodynamic parameters, calculated phase diagram and experimental phase diagram are thermodynamically serf-consistent.     

在Kerr媒质中J-C模型的测量相位算符的涨落和压缩

By using the theory of measured phase operator proposed by Barnett and Pegg,dynamic properties of phase of a field are studied.The time evolution and squeezing of measured phase opoerators of a coherent field ineracting with a two-level atom in the cavity with or without the Kerr medium are investigated.The influences of virtual cavity field on squeezing of measured phase operator are studied.Our numerical results show that the squeezing effects are clearly influenced Kerr medium parameters,the field intensity,and the detuning.Moreover,the influence of the virtual-photon field makes more quantum noise in the evolution of measured phase opoerators.     

Synthesis of Schiff bases of naphtha[1,2-d]thiazol-2-amine and metal complexes of 2-(2''''-hydroxy)benzylideneaminonaphthothiazole as potential antimicrobial agents

Objective: A series of 2-benzylideneaminonaphthothiazoles were designed and synthesized incorporating the lipo- philic naphthalene ring to render them more capable of penetrating various biomembranes. Methods: Schiff bases were synthe- sized by the reaction of naphtha[1,2-d]thiazol-2-amine with various substituted aromatic aldehydes. 2-(2'-Hydroxy)ben- zylideneaminonaphthothiazole was converted to its Co(II), Ni(II) and Cu(II) metal complexes upon treatment with metal salts in ethanol. All the compounds were evaluated for their antibacterial activities by paper disc diffusion method with Gram positive Staphylococcus aureus and Staphylococcus epidermidis and Gram negative Escherichia coli and Pseudomonas aeruginosa bac- teria. The minimum inhibitory concentrations of all the Schiff bases and metal complexes were determined by agar streak dilution method. Results: All the compounds moderately inhibited the growth of Gram positive and Gram negative bacteria. In the present study among all Schiff bases 2-(2'-hydroxy)benzylideneaminonaphthothiazole showed maximum inhibitory activity and among metal complexes Cu(II) metal complex was found to be most potent. Conclusion: The results obtained validate the hypothesis that Schiff bases having substitution with halogens, hydroxyl group and nitro group at phenyl ring are required for the antibacterial activity while methoxy group at different positions in the aromatic ring has minimal role in the inhibitory activity. The results also indicated that the metal complexes are better antibacterial agents as compared to the Schiff bases.     

Synthesis of Schiff bases of naphtha[1,2-d]thiazol-2-amine and metal complexes of 2-（2＇-hydroxy）benzylideneaminonaphthothiazole as potential antimicrobial agents

Objective： A series of 2-benzylideneaminonaphthothiazoles were designed and synthesized incorporating the lipophilic naphthalene ring to render them more capable of penetrating various biomembranes. Methods： Schiff bases were synthesized by the reaction of naphtha[1,2-d]thiazol-2-amine with various substituted aromatic aldehydes. 2-（2＇-Hydroxy）ben- zylideneaminonaphthothiazole was converted to its Co（Ⅱ）, Ni（Ⅱ） and Cu（Ⅱ） metal complexes upon treatment with metal salts in ethanol. All the compounds were evaluated for their antibacterial activities by paper disc diffusion method with Gram positive Staphylococcus aureus and Staphylococcus epidermidis and Gram negative Escherichia coli and Pseudomonas aeruginosa bacteria. The minimum inhibitory concentrations of all the Schiff bases and metal complexes were determined by agar streak dilution method. Results： All the compounds moderately inhibited the growth of Cram positive and Gram negative bacteria. In the present study among all Schiff bases 2-（2＇-hydroxy）benzylideneaminonaphthothiazole showed maximum inhibitory activity and among metal complexes Cu（Ⅱ） metal complex was found to be most potent. Conclusion： The results obtained validate the hypothesis that Schiff bases having substitution with halogens, hydroxyl group and nitro group at phenyl ring are required for the antibacterial activity while methoxy group at different positions in the aromatic ring has minimal role in the inhibitory activity. The results also indicated that the metal complexes are better antibacterial agents as compared to the Schiff bases.     

Dynamical Behavior of Core ^3He Nuclear Reaction-Diffusion Systems and Sun＇s Gravitational Field

The coupling of the sun‘s gravitational field with processes of diffusion and convection exerts a significant influence on the dynamical behavior of the core 3He nuclear reaction-diffusion system. Stability analyses of the system are made in this paper by using the theory of nonequilibrium dynamics. It is showed that, in the nuclear reaction regions extending from the center to about 0. 38 times of the radius of the sun, the gravitational field enables the core ^3He nuclear reaction-diffusion system to become unstable and, after the instability, new states to appear in the system have characteristic of time oscillation. This may change the production rates of both ^7Be and ^8B neutrinos.     

Applications of ionic liquids in electrodeposition of rare earths

The electrodeposition and electrochemical behaviors of rare earths in different ionic liquids are summarized. It is demonstrated that most of the rare earths can be electrodeposited in ionic liquids except cerium. Anion of ionic liquids appears to play a significant role in determining the electrochemical windows, and then deciding whether the corresponding ionic liquids can be used for rare earths electrodeposition. The electrochemical behaviors of the reduction process in ionic liquids are similar to those in high-temperature molten salts. The reduction of RE（III） to RE（II） has different reversibility, but the reaction of rare earths to their zerovalent state is irreversible.     

Thermal and Electrical Properties of Liquid Metal Gallium During Phase Transition

Liquid metal gallium has been widely used in numerous fields, from nuclear engineering, catalysts, and energy storage to electronics owing to its remarkable thermal and electrical properties along with low viscosity and nontoxicity. Compared with high-temperature liquid metals, room-temperature liquid metals, such as gallium(Ga), are emerging as promising alternatives for fabricating advanced energy storage devices, such as phase change materials, by harvesting the advantageous properties of the...     

Estimation of Shallow S-Wave Velocity Structure of Two Practical Sites from Microtremors Array Observation in Tangshan Area

Microtremors array observation for estimating S-wave velocity structure from phase velocities of Rayleigh and Love wave on two practical sites in Tangshan area by a China-US joint group are researched.The phase velocities of Rayleigh wave are estimated from vertical component records and those of Love wave are estimated from three-component records of microtremors array using modified spatial auto-correlation method.Haskell matrix method is used in calculating Rayleigh and Love wave phase velocities,and the shallow S-wave velocity structure of two practical sites are estimated by means of a hybrid approach of Genetic Algorithm and Simplex.The results are compared with the PS logging data of the two sites,showing it is feasible to estimate the shallow S-wave velocity structure of practical site from the observation of microtremor array.     

Microstructure and creep properties of high Cr resisting weld metal alloyed with Co

A 9% Cr ferritic steel weld metal containing 1% Co, partially substituted for nickel, was prepared by submerged arc welding (SAW) processing. The microstructure and creep properties of the weld metal were investigated. The microstructure exhibited a fully tempered martensitic structure free of δ-ferrite. The creep properties of the obtained weld metal were inferior to those of the P92 base metal at 600 and 650 °C. The values of A and n for weld metal in the Norton power law constitution at 650 °C are 1.1×10?21 and 8.1, respectively.     

DyCl3-NaCl体系相图的热力学优化计算

In this paper, the phase diagram of the DyCl3-NaC1 system is optimized and calculated with CALPHAD (calculation of phase diagram) technology. A set of thermodynamic functions of compounds Na3 DyCl6, NaDyCl4, and NaDy2 Cl7 have been optimized and calculated based on an interactive computer-assisted analysis. The optimized thermodynamic parameters, calculated phase diagram and experimental phase diagram are thermodynamically self-consistent.     

Thermodynamic Optimization of DyCl_3-NaCl System

1Introduction Thethermodynamicpropertiesandphasediagrams ofDyCl3NaClsystemsareimportantintheproduction ofmetaldysprosium,andusefulinhightemperature chemicalreprocessingofwastenuclearfuelinfastre actors.IntheliteraturesomeaspectsofthesystemDyCl3NaCl[1,2]havebeendescribed.Seifertetal.[3]re mea suredthephasediagramIn1995.Thepseudobinary systemDyCl3NaClwasinvestigatedwithDTAandX raydiffraction.Ithasbeenfoundthatthreeincongru entlymeltingcompounds,NaDy2Cl7,NaDyCl4,and Na3DyCl6,existinthi…     

Experimentation and thermodynamic modelling on SrZrO_3

Experimental data for the perovskite phase SrZrO3 were subjected to a critical thermodynamic assessment using the CALPHAD approach. Special attention was paid to the structural behavior of SrZrO3 to illustrate, how to select an appropriate thermodynamic model based on crystal structure and chemistry information, how to identify and resolve the inconsistency between various kinds of experimental data, and how to use thermodynamic modeling as a basic tool in the development and optimization of materials and process. Our assessment results in a Gibbs energy function covering the temperature range between 300 K and the melting point, which explains the experimental data within the experimental uncertainty.     

硅化镁的电子结构与热力学性质

利用密度泛函理论的赝势平面波方法对 Mg2Si 晶体的结构进行了几何优化,在优化的基础上对电子结构、弹性常数与热力学性质进行了第一性原理计算．结果得到 Mg2Si 是一种带隙为 0.2846eV 的间接带隙半导体;其导带主要以 Mg 的 3p、3s 与Si 的 3p 态电子构成;弹性常量 C11= 114.39GPa、C12= 22.45GPa、C44= 42.78GPa;零温度与零压下的德拜温度为 676.4K．运用线性响应方法确定了声子色散关系,得到 Mg2Si 的等容热容、德拜温度、焓、自由能、熵等热力学函数随温度变化的关系．     

ErCl3-CaCl2体系的热力学优化和计算

根据实验测定的相图,运用CALPHAD技术对ErCl3-CaCl2体系进行了热力学优化和计算.计算出的相图属于简单低共熔型,低共熔点为850.92K,46.0%(摩尔分数)ErCl3,同时优化计算了该体系的液相混合焓和相互作用系数.这些热力学参数对于稀土金属及其合金的冶炼有重要意义.     

外加应力对外延Pb（Zr1-xTix）O3薄膜相图及物理性质的影响

用非线性热力学方法,研究了外加应力及组分对外延单畴Pb（Zr1-xTix）O3（PZT）薄膜的相图及物理性质的影响。通过数值计算,得到了PZT薄膜在不同组分下的“外加应力-失配应变”相图。由相图可知,外加应力可以使薄膜发生铁电相变。在室温下,外加压应力能使薄膜的铁电相转变到顺电相。薄膜的压电系数对相变非常的敏感,施加一个适当的外加应力,可以大幅度提高压电系数。本文的计算结果,可以解释压痕仪和扫描力电镜研究铁电薄膜时所观察到的实验现象。     

外加应力对外延Pb(Zr_(1-x)Ti_x)O_3薄膜相图及物理性质的影响

用非线性热力学方法,研究了外加应力及组分对外延单畴Pb(Zr1-xTix)O3(PZT)薄膜的相图及物理性质的影响.通过数值计算,得到了PZT薄膜在不同组分下的"外加应力-失配应变"相图.由相图可知,外加应力可以使薄膜发生铁电相变.在室温下,外加压应力能使薄膜的铁电相转变到顺电相.薄膜的压电系数对相变非常的敏感,施加一个适当的外加应力,可以大幅度提高压电系数.本文的计算结果,可以解释压痕仪和扫描力电镜研究铁电薄膜时所观察到的实验现象.     

水热合成KNbO_3粉体的理论设计与实验研究

以K-Nb-H2O三元体系为研究系统,在Lencka-Riman热力学模型的框架内,对水热法合成KNbO3粉体进行了理论设计,得到了体系稳定产出相图和优化的合成条件包括反应温度、反应物浓度和溶液的pH控制等重要信息.研究结果表明,前驱物浓度和pH调节(矿化剂KOH浓度)是形成纯相KNbO3必需的条件.在此基础上,利用简单的五氧化二铌和KOH做前驱物,在523K反应温度,高强碱性溶液条件下,常规水热法成功合成了纯相的KNbO3粉体.实验研究和理论设计十分吻合.