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151.
<正>The study of dislocation properties in B2 structure intermetallics NiAl and FeAl is crucial to understand their mechanical behaviors.In this paper,the core structure and Peierls stress of collinear dissociated〈111〉{110} edge superdislocations in NiAl and FeAl are investigated with the modified P-N dislocation equation.The generalized stacking fault energy curve along〈111〉direction in {110} slip plane contains two modification factors that can assure the antiphase energy and the unstable stacking fault energy to change independently.The results show that the core width of superpartials decreases with the increasing unstable stacking fault energy,and increases with the increasing antiphase boundary energy.The calculated Peierls stress of〈111〉{110} edge superdislocations in NiAl and FeAl are 475 MPa and 3042 MPa,respectively.The values of Peierls stress in NiAl is in accordance in magnitude with the experimental and the molecular statics simulations results. 相似文献
152.
《International journal of quantum chemistry》2018,118(16)
Thionucleobases can be used in chemoradiation therapy of cancer. Shape resonances (SRs) and core‐excited resonances (CERs) can lead to fragmentation and eventually result in strand breaks of DNA. In particular, the more energetic CERs are believed to cause double‐strand breaks that can hardly be repaired. In this work, both the SRs and CERs of exemplary 2‐thiouracil, 4‐thiouracil, 2‐thiothymine, 4‐thiothymine, and 6‐aza‐2‐thiothymine are investigated using stabilization method in conjunction with long range corrected time‐dependent density functional theory. Results indicate that the energies of (1) π*1 and π*2 SRs, (2) n‐π* CERs, and (3) mixed resonances of π‐π* CERs with π* SRs can be significantly stabilized due to thionation of uracil or thymine. It is noteworthy that the resonant cases of (2) and (3) can be accessed by electrons even at energies below 4 eV. Consequently, the increased decay of temporary anions can enhance strand breaks of DNA. 相似文献
153.
Yanhui Chen Ganji Zhong Benjamin S. Hsiao Zhongming Li 《Journal of Polymer Science.Polymer Physics》2013,51(22):1618-1631
The structure evolution of the oriented layer (skin) and unoriented layer (core) from injection‐molded isotactic polypropylene samples upon uniaxial drawing is probed by in situ synchrotron X‐ray scattering. The X‐ray data analysis approach, called “halo method”, is used to semiquantitatively identify the transformation process of crystal phase upon uniaxial drawing. The results verify the validation of the stress‐induced crystal fragmentation and recrystallization process in the deformation of the injection‐molded samples under different temperatures. Furthermore, the end of strain softening region in the engineering stress‐strain curves explicitly corresponds to the transition point from the stress‐induced crystal fragmentation to recrystallization process. Basically, the skin and core layers of the injection‐molded parts share the similar deformation mechanism as aforementioned. The stretching temperature which dramatically affects the relative strength between the entanglement‐induced tie chains and the adjacent crystalline lamellae determines the crystal structural evolution upon drawing. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2013, 51, 1618–1631 相似文献
154.
Xiaofeng Luo Xiaoqing Liu Bo Chen Jianping Deng Wantai Yang 《Journal of polymer science. Part A, Polymer chemistry》2010,48(23):5611-5617
A facile methodology was developed to prepare a novel type of core/shell nanoparticles (NPs) with optical activity and with chemical bonds between the cores and shells. The cores were prepared via catalytic emulsion copolymerization of substituted acetylene comonomers in which one monomer contains azo groups in side chains. For preparing the core/shell NPs, the azo groups in the seed particles (i.e., cores) subsequently act as initiators for vinyl monomer to undergo free radical polymerizations, yielding the shells. This situation resulted in chemical bonds between cores and shells. Both the seed emulsion and core/shell nanoparticle emulsion exhibited optical activity, derived from the polyacetylenes adopting helical conformation of predominant handedness. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2010 相似文献
155.
Kai Zhang Xuefen Wang Yin Yang Lili Wang Meifang Zhu Benjamin S. Hsiao Benjamin Chu 《Journal of Polymer Science.Polymer Physics》2010,48(10):1118-1125
In this work, aligned and molecularly oriented bone‐like PLLA semihollow fiber yarns were manufactured continuously from an optimized homogeneous polymer‐solvent‐nonsolvent system [PLLA, CH2Cl2, and dimethyl formamide (DMF)] by a single capillary electrospinning via self‐bundling technique. Here, it should be emphasized that the self‐bundling electrospinning technique, a very facile electrospinning technique with a grounded needle (which is to induce the self‐bundling of polymer nanofibers at the beginning of electrospinning process), is used for the alignment and molecular orientation of the polymer fiber, and the take‐up speed of the rotating drum for the electrospun fiber yarn collection is very low (0.5 m/s). PLLA can be dissolved in DMF and CH2Cl2 mixed solvent with different ratios. By varying the ratios of mixed solvent system, PLLA electrospun semihollow fiber with the porous inner structure and compact shell wall could be formed, the thickness of the shell and the size of inner pores could be adjusted. The results of polarized FTIR and wide angle X‐ray diffraction investigations verified that as‐prepared PLLA semihollow fiber yarns were well‐aligned and molecularly oriented. Both the formation mechanism of semihollow fibers with core‐shell structure and the orientation mechanism of polymer chains within the polymer fibers were all discussed. The as‐prepared self‐bundling electrospun PLLA fiber yarns possessed enhanced mechanical performance compared with the corresponding conventional electrospun PLLA fibrous nonwoven membranes. © 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 48: 1118–1125, 2010 相似文献
156.
Gang Feng Yongguang Jia Lingyan Liu Weixing Chang Jing Li 《Journal of polymer science. Part A, Polymer chemistry》2010,48(24):5992-6002
A series of novel organotin‐containing core‐cross‐linked knedels and shell‐cross‐linked knedels were first synthesized facilely from poly(styrene)‐b‐poly(acrylate acid) nanoparticles in different selective solvents [Tetrahydrofuran (THF)/H2O or THF/n‐octane] by using organotin compound 1,3‐dichloro‐tetra‐n‐butyl‐distannoxane as a new cross‐linker. The formation of the 1‐chloro‐3‐carboxylato‐tetra‐n‐butyl‐distannoxane layer in our cross‐linking reaction was supported by Fourier transform infrared (FT‐IR) and inductive coupled plasma emission spectrometer (ICP) analysis of the resulting shell‐cross‐linked knedels and core‐cross‐linked knedels. Transmission electron microscopy (TEM) study showed the spherical morphology and the size of the core‐cross‐linked knedels and shell‐cross‐linked knedel. Especially, the layer structure of the core‐cross‐linked knedels was clearly displayed in TEM image. The increase of extent of cross‐linking lead to the increasing of diameter for the shell‐cross‐linked knedels, whereas there was no significant effect on the core‐cross‐linked knedels. Dynamic light scattering (DLS) measurements gave hydrodynamic diameters of the core‐cross‐linked knedels that were in agreement with the TEM diameters. Moreover, the wall thickness of the shell layer of the core‐cross‐linked knedels could be easily modified by varying the block copolymer composition. Notably, the organotin‐containing core‐cross‐linked knedel exhibited highly efficient catalytic activity for the aqueous esterification reaction under nearly neutral conditions. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2010 相似文献
157.
Haiyang Zhang Lei Ding Yu Chen Wantai Yang Jianping Deng 《Journal of polymer science. Part A, Polymer chemistry》2012,50(21):4415-4422
This article reports on optically active core/shell nanoparticles constituted by chiral helical polymers and prepared by a novel approach: using self‐assembled polymer micelles as reactive nanoreactors. Such core/shell nanoparticles were composed of optically active helical‐substituted polyacetylene as the core and thermosensitive poly(N‐isopropylacrylamide) as the shell. The synthetic procedure is divided into three major steps: (1) synthesis of amphiphilic diblock copolymer bearing polymerizable C[tbond]C bonds via atom transfer radical polymerization, followed by (2) self‐assembly of the diblock copolymer to form polymer micelles; and (3) catalytic emulsion polymerization of substituted acetylene monomer conducted using the polymer micelles as reactive nanoreactors leading to the core/shell nanoparticles. The core/shell nanoparticles simultaneously exhibited remarkable optical activity and thermosensitivity. The facile, versatile synthesis methodology opens new approach toward preparing novel multifunctional core/shell nanoparticles.© 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012 相似文献
158.
Shurun Li Jianping Deng Wantai Yang 《Journal of polymer science. Part A, Polymer chemistry》2010,48(4):936-942
The amphiphilic poly(AM‐co‐SA)‐ITXH macrophotoinitiator was synthesized by precipitation photopolymerization under UV irradiation with isopropylthioxanthone (ITX) as free radical photoinitiator. A novel method has been developed to prepare amphiphilic core‐shell polymer nanospheres via photopolymerization of methyl methacrylate (MMA) in aqueous media, with amphiphilic copolymer macrophotoinitiator poly(AM‐co‐SA)‐ITXH. During polymerization, the amphiphilic macroradicals underwent in situ self‐assembly to form polymeric micelles, which promoted the emulsion polymerization of the monomer. Thus, amphiphilic core‐shell nanospheres ranging from 70 to 140 nm in diameter were produced in the absence of surfactant. The conversion of the monomer, number average molecular weights (Mn), and particle size were found to be highly dependent on the macrophotoinitiator and monomer concentration. The macrophotoinitiator and amphiphilic particles were characterized by FTIR, UV‐vis, 1H NMR, TEM, DSC, and contact angle measurements. The results showed the particles had well‐defined amphiphilic core‐shell structure. This new method is scientifically and technologically significant because it provides a commercially viable route to a wide variety of novel amphiphilic core‐shell nanospheres. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 48: 936–942, 2010 相似文献
159.
Non-zero dispersion fiber (NZDF) ribbon cable has recently become a considerable alternative in long-haul high-speed network construction. Since long-distance high-bit rate transmission requires low polarization mode dispersion (PMD), it is very important to know the PMD performance of this type of optical fiber cables. In this paper, we report experimental analysis of effects of the cable design and environmental parameters, in particular ribbon thickness, positions of fibers in the ribbon, flexing and vibration, on PMD performances of several slotted-core fiber ribbon cables. Results show that ribbon thickness and positions of fibers in the ribbon alter the PMD values of NZDF ribbon cables. Also, 23% and 11% PMD variations have been determined in flexing and vibration experiments, respectively. Moreover, it has been observed that vibration amplitude has significant effects and vibration frequency has little effects (14% and 6% variations, respectively) on fiber PMD. Results are important for understanding effects of installation conditions and wind, especially for aerial fibers, on PMD values of cables. 相似文献
160.
Venkataramanarao G. Anand Simi K. Pushpan Sundararaman Venkatraman Tavarekere K. Chandrashekar 《Journal of Chemical Sciences》2003,115(5-6):711-720
Expanded porphyrins containing seven pyrrole/heterocyclic rings linked in a cyclic fashion are termed heptaphyrins. The number
ofπ-electrons in heptaphyrins depends on the number ofmeso carbon bridges used to link the heterocyclic rings, accordingly heptaphyrins with 28π-electrons and 30π-electrons are reported to date. Both condensation reactions of the appropriate precursors and acid-catalysed oxidative coupling
reactions have been utilized to synthesise the heptaphyrins. The 30π heptaphyrins exhibit rich structural diversity where some of the heterocyclic rings in the macrocycle undergo a 180° ring
flipping. An overview of the synthetic methods employed for the synthesis of heptaphyrins, their spectroscopic properties,
structural behaviour and aromatic properties are highlighted in this paper.
Dedicated to Professor C N R Rao on his 70th birthday 相似文献