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Influence of Random Pinning on the Crystallization Process in Suspensions of Hard Spheres 随机钉钉对硬球悬浮液结晶过程的影响
Pub Date : 2013-09-30 DOI: 10.4236/JCPT.2014.42012
S. Dorosz, T. Schilling
We discuss crystal formation in supersaturated suspensions of monodisperse hard spheres with a concentration of hard spheres randomly pinned in space and time. The pinning procedure introduces an external length scale and an external time scale that restrict the accessible number of configureurations and ultimately the number of pathways leading to crystallization. We observe a significant drop in the nucleation rate density at a characteristic pinning concentration that can be directly related to the structure of the critical nucleus and the dynamics of its formation in the unpinned system.
我们讨论了单分散硬球的过饱和悬浮液中的晶体形成,其中硬球的浓度在空间和时间上随机固定。钉接过程引入了外部长度尺度和外部时间尺度,它们限制了可访问的构型数量,并最终限制了导致结晶的途径数量。我们观察到,在特定的钉钉浓度下,成核率密度显著下降,这可能与临界核的结构及其在未钉钉体系中形成的动力学直接相关。
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引用次数: 0
Nucleation Kinetics of L-Arginine, L-Lysine and L-Alanine Doped Potassium Dihydrogen Phosphate Crystals l -精氨酸、l -赖氨酸和l -丙氨酸掺杂磷酸二氢钾晶体的成核动力学
Pub Date : 2013-07-02 DOI: 10.4236/JCPT.2013.33015
K. Parikh, B. Parekh, D. J. Dave, M. Joshi
The solubility, induction period and nucleation parameters of pure and amino acids like L-arginine, L-lysine and L-alanine doped potassium dihydrogen phosphate (KDP) crystals have been determined. Solubility study of pure and amino acids doped KDP crystals were carried out for different temperatures. The induction period was measured at different supersaturation level. The nucleation parameters like interfacial tension, radius of critical nucleus and energy of formation were calculated based on the classical theory of nucleation. Values of different parameters were found to be larger for amino acid doped crystals than pure KDP crystal.
测定了纯和氨基酸(如l -精氨酸、l -赖氨酸和l -丙氨酸)掺杂磷酸二氢钾晶体的溶解度、诱导期和成核参数。研究了纯氨基酸和氨基酸掺杂KDP晶体在不同温度下的溶解度。测定了不同过饱和水平下的诱导期。根据经典成核理论计算了界面张力、临界核半径和成核能等成核参数。氨基酸掺杂晶体的各参数值均大于纯KDP晶体。
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引用次数: 15
Moments and Cumulants of Diffraction Profiles Broadened by Stacking Faults 层错加宽衍射曲线的矩量和累积量
Pub Date : 2013-07-02 DOI: 10.4236/JCPT.2013.33017
G. B. Mitra
Line broadening in a diffraction intensity profile of powdered crystalline materials due to stacking fault has been characterized in terms of the zeroth, first, second, third, and fourth moments and the fourth cumulant. Calculations have been derived showing that the first moment causes a shift in the peak position of the profile while the third moment affects its shape. The intensity expression has been derived on the basis of usual Cartesian coordinates and also of polar coordinates indicated by the probability of the fault and the reciprocal lattice parameter as the two axes. The expressions for the fourth cumulant have also been so derived. Here we have used three different approaches to determine methods for calculating the fourth cumulant due to stacking faults. The three forms of the equations derived here are for different coordinate systems, but will arrive at the same answers.
在粉末晶体材料的衍射强度谱中,由于层错引起的线展宽用第0、第1、第2、第3、第4矩和第4累积量来表征。计算结果表明,第一个弯矩引起轮廓峰位置的移位,而第三个弯矩影响其形状。在常用的笛卡尔坐标和以断层概率和倒易晶格参数为轴的极坐标的基础上,导出了强度表达式。第四累积量的表达式也已这样导出。在这里,我们使用了三种不同的方法来确定计算由于堆积错误引起的第四累积量的方法。这里导出的三种形式的方程适用于不同的坐标系,但会得到相同的答案。
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引用次数: 3
Effect of Electrical Defloration in Liquid and Solid Crystals 液体和固体晶体中电致裂的影响
Pub Date : 2013-07-02 DOI: 10.4236/JCPT.2013.33016
V. Tsvetkov
Earlier we observed a movement of the front of ions in the bulk of an ordered LC sample across which the driven voltage was applied [1]. This movement looked as waving zigzag curvatures in the pattern of interference strips. It was shown that behind the movable front of ions, the LC volume was getting charged. The author has found out that, in his pioneer experiments made in 1974, he observed the similar electrooptical phenomena on a single crystal of niobate-strontium-barium (NBS). Just after applying driving voltage (in a crossed electrical field crystal sample geometry) a system of curved interference strips is arising, which is evolving for the time period of about ten minutes at the driven voltage being kept constant. The evolution of the interference stripes pattern near positive, negative electrodes and in middle part of sample occurs in some different ways. At the end of evolution the system of strips disappears and the sample becomes practically homogeneous. The described process can be observed only once at the first applying of the driving voltage. This process is caused by redistribution of charges frozen at the crystallization and which are having an opportunity of the recombination at the first applying of the driving voltage. The obtained results are discussed with the possible applying the given experimental technique for solid and LCs parameters studying.
早先,我们观察到有序LC样品中离子前部的运动,驱动电压施加于其上。这种运动看起来就像干涉条图案上的波浪之字形曲率。结果表明,在离子的可移动前沿后面,LC体积是带电的。作者在1974年的先驱性实验中发现,在铌锶钡单晶(NBS)上也观察到类似的电光现象。在施加驱动电压后(在交叉电场晶体样品几何结构中),会产生一个弯曲干涉带系统,在保持驱动电压不变的情况下,该系统会持续发展约10分钟。正极附近、负极附近和样品中部的干涉条纹图案以不同的方式演变。在演化结束时,条带系统消失,样品实际上变得均匀。所描述的过程只能在第一次施加驱动电压时观察到一次。这一过程是由结晶时冻结的电荷重新分配引起的,在第一次施加驱动电压时,这些电荷有机会重新组合。对所得结果进行了讨论,并探讨了将实验技术应用于固体和lc参数研究的可能性。
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引用次数: 0
Second Harmonic Generation in Some Donor-Acceptor Substituted Chalcone Derivatives 一些供体-受体取代查尔酮衍生物的二次谐波生成
Pub Date : 2013-07-02 DOI: 10.4236/JCPT.2013.33018
P. S. Patil, V. M. Bhumannavar, M. Bannur, Harish N. Kulkarni, G. Bhagavannarayana
A series of five chalcone derivatives with different substituents in para and meta posions have been synthesized, and single crystals were successfully grown in aceton solution by slow evaporation solution growth technique (SESGT). Single crystal X-ray studies revealed that all the crystals crystallized in noncentrosymmetric space group with their molecular dipoles perfectly aligned in a direction-favorable for large nonlinear optical effects. Kurtz powder tests revealed that all five materials have second-harmonic-generating properties with maximum efficiencies of approximately 14 times that of urea standard. UV-vis-NIR spectroscopy and thermogravimetric analyses are also presented for all of the reported materials. Among the five chalcones, high quality single crystals of 4-Methoxy-4'-chlorochalcone were grown by SESGT, and its crystalline perection were studied by using a high resolution X-ray diffractometry (HRXRD).
采用慢蒸发溶液生长技术(SESGT)在丙酮溶液中成功地生长了具有不同对位和间位取代基的5种查尔酮衍生物。单晶x射线研究表明,所有晶体均在非中心对称空间群中结晶,其分子偶极子沿一个方向完美排列,有利于大的非线性光学效应。库尔茨粉末测试表明,所有五种材料都具有二次谐波产生特性,其最大效率约为尿素标准的14倍。紫外可见近红外光谱和热重分析也提出了所有报道的材料。在5种查尔酮中,SESGT生长出了高质量的4-甲氧基-4′-氯查尔酮单晶,并利用高分辨率x射线衍射(HRXRD)研究了其结晶度。
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引用次数: 24
The Growth and the Optical, Mechanical, Dielectric and Photoconductivity Properties of a New Nonlinear Optical Crystal—L-Phenylalanine-4-nitrophenol NLO Single Crystal 一种新型非线性光学晶体- l -苯丙氨酸-4-硝基苯酚NLO单晶的生长及其光学、力学、介电和光电导性能
Pub Date : 2013-07-02 DOI: 10.4236/JCPT.2013.33014
S. Suresh
Nonlinear optical single crystals of L-phenylalanine-4-nitrophenol have been grown by the slow evaporation method. The grown crystal was subjected to the single crystal X-ray diffraction analysis, to confirm that it belongs to the monoclinic crystal structure, with space group P21. The optical transmission study reveals the transparency of the crystal in the entire visible region and the cut off wave length has been found to be 320 nm. The optical band gap is found to be 3.87 eV. The transmittance of the L-phenylalanine-4-nitrophenol crystal has been used to calculate the refractive index (n), the extinction coefficient (K) and the real (er) and imaginary (ei) components of the dielectric constant. The mechanical behaviour of the grown crystals was studied using Vicker’s microhardness tester. The dielectric constant and dielectric loss of L-phenylalanine-4-nitrophenol are measured in the frequency range of 50 Hz to 5 MHz at different temperatures. The photoconductivity study confirms the negative photoconductive nature of the sample.
采用慢蒸发法制备了l -苯丙氨酸-4-硝基苯酚非线性光学单晶。对生长的晶体进行单晶x射线衍射分析,确认其属于单斜晶结构,空间群为P21。光透射研究表明,晶体在整个可见光区域都是透明的,截止波长为320 nm。光学带隙为3.87 eV。利用l -苯丙氨酸-4-硝基苯酚晶体的透射率计算了晶体的折射率(n)、消光系数(K)和介电常数的实部和虚部(ei)。用维氏显微硬度计研究了生长晶体的力学行为。在50 Hz ~ 5 MHz的频率范围内,测量了l -苯丙氨酸-4-硝基苯酚在不同温度下的介电常数和介电损耗。光导研究证实了样品的负光导性质。
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引用次数: 22
Investigation of the Solar Cells with Films of Porous Silicon and β-Diketonates 多孔硅- β-双酮酸盐薄膜太阳能电池的研究
Pub Date : 2013-07-02 DOI: 10.4236/JCPT.2013.33013
S. Khrypko
The experimental results of a research of the solar cells parameters covered with films InxSnyOz, and solar cells covered with films, obtained by dispersion of alcoholic solutions of three-chloride Indium acetyl acetonate of aluminum are represented. The spectral dependencies of reflection factor and open circuit voltage of the film-covered solar cells are obtained. The conditions of deriving and properties of porous silicon and parameters of the solar cells with films of porous silicon and covers, forming a potential barrier, are investigated. It is shown that for optimum parameters of films deriving the solar cells with efficiency 15.8% is possible.
本文介绍了用InxSnyOz薄膜覆盖太阳电池参数的实验研究结果,以及用三氯乙酰丙酮铝铟醇溶液分散得到的覆盖太阳电池的实验结果。得到了薄膜覆盖太阳能电池的反射系数和开路电压的光谱依赖性。研究了多孔硅的制备条件和性能,以及多孔硅薄膜和覆盖层形成势垒的太阳能电池的参数。结果表明,在最佳薄膜参数下,可得到效率为15.8%的太阳能电池。
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引用次数: 2
Thermodynamic Analysis of ZnO Crystal Growth from the Melt 熔体中ZnO晶体生长的热力学分析
Pub Date : 2013-07-02 DOI: 10.4236/JCPT.2013.33012
M. Asadian
Recently, the efforts in solid-state materials include developing technologies capable of producing ZnO wafers in large dimensions and good quality based device applications. High quality bulk crystals are obtained by growing from high purity the melt. However, the thermochemical properties of ZnO (high melting point and high vapor pressure) make the growth of single crystals difficult. The thermodynamic calculations show that ZnO crystals can be grown from the melt if a suitable dynamic atmosphere composition is used. The oxygen requirement with increasing the temperature can be fulfilled by adding the NO-NO2 gases into the CO2 atmosphere. At ZnO melting point, the oxygen partial pressure of gas mixtures containing CO2-NO-CO-NO2 at Pt = 5 atm reaches to PO2 = 0.29 atm. According to this new thermodynamic result, it would be expected that ZnO crystal could be grown from the melt at lower total pressure comparing to pure CO2.
最近,在固态材料方面的努力包括开发能够生产大尺寸和高质量的基于器件应用的ZnO晶圆的技术。从高纯度熔体中生长出高质量的块状晶体。然而,ZnO的热化学性质(高熔点和高蒸气压)使得单晶的生长困难。热力学计算表明,如果使用合适的动态气氛成分,ZnO晶体可以从熔体中生长出来。通过向CO2大气中添加NO-NO2气体,可以满足随着温度升高对氧气的需求。在ZnO熔点处,Pt = 5 atm时CO2-NO-CO-NO2混合气体的氧分压达到PO2 = 0.29 atm。根据这一新的热力学结果,与纯CO2相比,可以在较低的总压下从熔体中生长出ZnO晶体。
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引用次数: 12
Study of Crystallization Process in Se 80 In 10 Pb 10 by Iso-Conversional Methods 等转换法研究硒80in 10pb10的结晶过程
Pub Date : 2013-04-30 DOI: 10.4236/JCPT.2013.32007
I. Ram, Kedar Singh
The crystallization kinetics of Se80In10Pb10 chalcogenide glass is studied using differential scanning calorimeter (DSC) at different heating rates (5, 10, 15 and 20 K/min) under non-isothermal conditions. Four iso-conversional methods (Kissinger-Akahira-Sunose, Flynn-Wall-Ozawa, Tang and Straink) were used to determine various kinetic parameters: crystallization temperature (Tα), activation energy of crystallization (Eα), Avrami exponent (nα) in non-isothermal mode. The transformation from amorphous to crystalline phase in Se80In10Pb10 is considered as a single step reaction mechanism.
采用差示扫描量热仪(DSC)研究了非等温条件下不同升温速率(5、10、15和20 K/min)下Se80In10Pb10硫系玻璃的结晶动力学。采用Kissinger-Akahira-Sunose、Flynn-Wall-Ozawa、Tang和Straink四种等转换方法测定了非等温模式下结晶温度(Tα)、结晶活化能(Eα)、Avrami指数(nα)等动力学参数。Se80In10Pb10从非晶到晶相的转变被认为是一个单步反应机制。
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引用次数: 5
Synthesis, Crystal Structure and Antimicrobial Activity of (E)-ethyl-4-(2-oxoacenaphthylen-1(2H)-ylideneamino) benzoate (E)-乙基-4-(2-氧苊-1(2H)-基氨基)苯甲酸酯的合成、晶体结构及抗菌活性
Pub Date : 2013-04-30 DOI: 10.4236/JCPT.2013.32011
Yi-Chen Chan, Abdussalam Salhin Mohamed Ali, M. Khairuddean, B. Salleh
A Schiff base, (E)-ethyl-4-(2-oxoacenaphthylen-1(2H)-ylideneamino)benzoate, (E4AB) had been synthesized in good yield by the acid-catalyzed condensation reaction of acenaphthenequinone and ethyl-4-aminobenzoate in methanolic solution. The synthesized compound was elucidated by elemental analysis (CHN), FTIR, 1H-NMR, 13C-NMR and single crystal X-ray diffraction. E4AB crystallized in the monoclinic crystal system with space group P21/c, Z = 4, V = 1569.3(2) ?3 and unit cell parameters a = 9.1589(8) , b = 21.2003(17)?, c =8.4502(7) ?, β= 106.972(2)°. The crystal structure of the compound is stabilized by intermolecular C-H···O hydrogen bonds and weak intermolecular π···π interactions. The title compound had been tested for the antimicrobial activity against Bacillus subtilis (B. subtilis), Enterobacter and Fusarium oxysporum f. sp. Cubense (Foc) by disc-diffusion method. E4AB is relatively active against Foc which is a pathogen that cause Wilt disease (also well known as Panama disease) in banana plantation.
在甲醇溶液中,苊醌与4-氨基苯甲酸乙酯酸催化缩合反应,合成了席夫碱(E)-乙基-4-(2-氧苊-1(2H)-酰基氨基苯甲酸乙酯(E4AB),收率较高。通过元素分析(CHN)、红外光谱(FTIR)、核磁共振(1H-NMR)、核磁共振(13C-NMR)和单晶x射线衍射对合成的化合物进行了表征。E4AB在单斜晶系中结晶,空间群为P21/c, Z = 4, V = 1569.3(2) ?3,晶胞参数a = 9.1589(8), b = 21.2003(17)?, c =8.4502(7)°,β= 106.972(2)°。分子间的C-H··O氢键和分子间的弱π··π相互作用稳定了化合物的晶体结构。采用圆盘扩散法测定了该化合物对枯草芽孢杆菌(Bacillus subtilis)、肠杆菌(Enterobacter)和镰刀菌(Fusarium oxysporum f. sp. Cubense)的抑菌活性。E4AB对引起香蕉种植园枯萎病(也称为巴拿马病)的病原菌Foc具有较强的抑制活性。
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引用次数: 1
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结晶过程及技术期刊(英文)
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