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  • AIP Publishing  (55)
  • 1
    Online Resource
    Online Resource
    Electron Attachment Studies for CHCl3 Using Ion Mobility Spectrometry
    AIP Publishing ; 2011
    In:  Chinese Journal of Chemical Physics Vol. 24, No. 2 ( 2011-04-01), p. 218-225
    Details
    In: Chinese Journal of Chemical Physics, AIP Publishing, Vol. 24, No. 2 ( 2011-04-01), p. 218-225
    Abstract: The dissociative electron attachment process for CHCl3 at different electric field have been studied with nitrogen as drift and carrier gas using corona discharge ionization source ion mobility spectrometry (CD-IMS). The corresponding electron attachment rate constants varied from 1.26×10−8 cm3/(molecules s) to 8.24×10−9 cm3/(molecules s) as the electric field changed from 200 V/cm to 500 V/cm. At a fixed electric field in the drift region, the attachment rate constants are also detected at different sample concentration. The ion-molecule reaction rate constants for the further reaction between Cl− and CHCl3 are also detected, which indicates that the technique maybe becomes a new method to research the rate constants between ions and neural molecules. And the reaction rate constants between Cl− and CHCl3 are the first time detected using CD-IMS.
    Type of Medium: Online Resource
    ISSN: 1674-0068 , 2327-2244
    URL: Article
    DOI: 10.1088/1674-0068/24/02/218-224
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2011
    detail.hit.zdb_id: 2381472-X
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  • 2
    Online Resource
    Online Resource
    Fabrication and magnetic force microscopy study of isolated nanoscale nickel balls
    AIP Publishing ; 1999
    In:  Journal of Applied Physics Vol. 85, No. 8 ( 1999-04-15), p. 5507-5509
    Details
    In: Journal of Applied Physics, AIP Publishing, Vol. 85, No. 8 ( 1999-04-15), p. 5507-5509
    Abstract: With the carbon nanotube nets being chosen as a substrate, the nanoscale nickel balls have been fabricated by using electroless plating method. In this article, a sample with well dispersed nanoscale nickel balls was prepared by ultrasonically dispersing them in PVK polymer solution and spraying them on a new cleavage of mica. Their images of topography and micromagnetic structure were obtained by transmission electron microscopy, and magnetic force microscopy with the magnetic tips coated with cobalt film. The balls with the diameter ranging from 200 to 400 nm present the same type of magnetic force image pattern, indicating that they are all single crystals with a single domain. Computer simulation was carried out by integrating the interactions between the tip and the balls. The simulated images are consistent with the real patterns.
    Type of Medium: Online Resource
    ISSN: 0021-8979 , 1089-7550
    URL: Article
    DOI: 10.1063/1.369877
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1999
    detail.hit.zdb_id: 220641-9
    detail.hit.zdb_id: 3112-4
    detail.hit.zdb_id: 1476463-5
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  • 3
    Online Resource
    Online Resource
    Design and implementation of the tapered resistive sheets to control edge scattering
    AIP Publishing ; 2014
    In:  Journal of Applied Physics Vol. 115, No. 16 ( 2014-04-28)
    Details
    In: Journal of Applied Physics, AIP Publishing, Vol. 115, No. 16 ( 2014-04-28)
    Abstract: Closed-form expressions for equivalent surface resistance of the tapered resistive sheets realized by geometric variation based on frequency selective surfaces concepts are presented in this paper. These expressions can be used efficiently to calculate the equivalent surface resistive of tapered resistive sheets with variable periodic structures of said geometries. These equivalent surface resistances of tapered resistive sheets calculated from these expressions are compared to and closely agree with results obtained from a numerical simulation of the actual tapered resistive meta-surfaces. Finally, we propose the tapered resistive sheets based on these expressions to control edge scattering, and excellent agreement with these results from the actual tapered resistive sheets loading can be obtained.
    Type of Medium: Online Resource
    ISSN: 0021-8979 , 1089-7550
    URL: Article
    DOI: 10.1063/1.4874162
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2014
    detail.hit.zdb_id: 220641-9
    detail.hit.zdb_id: 3112-4
    detail.hit.zdb_id: 1476463-5
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  • 4
    Online Resource
    Online Resource
    Effective self-healing behavior of nanocrystalline-amorphous laminated alloy under irradiation
    AIP Publishing ; 2022
    In:  Journal of Applied Physics Vol. 132, No. 22 ( 2022-12-14)
    Details
    In: Journal of Applied Physics, AIP Publishing, Vol. 132, No. 22 ( 2022-12-14)
    Abstract: An extensive investigation on the microstructural evolution of nanocrystalline–amorphous laminated alloys (NALAs) by molecular dynamics simulations and mechanistic analysis have been conducted to apprehend the interplay of complex phenomena governing structural changes in this alloy under neutron irradiation. It was discovered from the evolution profiles of free volumes, atomic unfilled spaces, and irradiation-induced vacancies that the profound structural response of the NALA was orchestrated by the rapid and spontaneous recovery of free volumes that indicate a self-healing ability in the amorphous zone, while the phenomenon of geometric atomic reconstitution in local structures governs the effective self-healing capacity for annihilated nanocrystal regions. Furthermore, a distinctive, self-migration/diffusion capture dynamics for the annihilation of defects by phase boundaries was discovered as an effective self-healing mechanism in NALAs. These findings will potentially facilitate the development of advanced nuclear materials with high irradiation resistance.
    Type of Medium: Online Resource
    ISSN: 0021-8979 , 1089-7550
    URL: Article
    DOI: 10.1063/5.0099472
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2022
    detail.hit.zdb_id: 220641-9
    detail.hit.zdb_id: 3112-4
    detail.hit.zdb_id: 1476463-5
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  • 5
    Online Resource
    Online Resource
    Modulating the reactivity of Ni-containing Pt(111)-skin catalysts by density functional theory calculations
    AIP Publishing ; 2008
    In:  The Journal of Chemical Physics Vol. 128, No. 19 ( 2008-05-21)
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 128, No. 19 ( 2008-05-21)
    Abstract: We present here a first principles density functional theory investigation of the reactivity of Pt(111)-skin catalysts, which are varied from surface alloys with Ni to bulk PtxNi1−x (x=0.25,0.50,0.75) alloys. Molecule (CO, O, and H) adsorption and oxidation of CO+O and H+O reactions were studied and analyzed in detail. Independent of the adsorbates, the interaction between adsorbates and substrates becomes weakened with increase in Ni, due to the downshift of d-band center of surface Pt atoms. Moreover, activation barriers of CO and H oxidation toward atomic oxygen gradually decrease. In term of CO preferential oxidation (PROX) in excess of hydrogen, it turns out that the overall reactivity and selectivity rely on the optimum of various elementary steps involved such as competitive molecular (dissociative) adsorption and oxidation reaction. The present calculations show that Pt3Ni(111) with Pt overlayer is an optimum catalyst for CO PROX in excess of hydrogen.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.2920174
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2008
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 6
    Online Resource
    Online Resource
    Dielectric properties of CaCu3Ti4O12, Ba(Fe1/2Nb1/2)O3, and Sr(Fe1/2Nb1/2)O3 giant permittivity ceramics at microwave frequencies
    AIP Publishing ; 2012
    In:  Journal of Applied Physics Vol. 111, No. 6 ( 2012-03-15)
    Details
    In: Journal of Applied Physics, AIP Publishing, Vol. 111, No. 6 ( 2012-03-15)
    Abstract: The dielectric properties of CaCu3Ti4O12, Ba(Fe1/2Nb1/2)O3, and Sr(Fe1/2Nb1/2)O3 giant permittivity ceramics were evaluated at microwave frequencies using a modified resonant cavity method. In the frequency range between 3.4 and 9.5 GHz, the permittivities of the three ceramics were around 84.6, 43.9, and 40.4 at 20 °C and were nearly independent of frequency. The dielectric losses decreased and the Qf values increased significantly with increasing frequency. The temperature dependence of the dielectric properties was also investigated at about 6.02 GHz. With increasing temperature from −60 °C to 80 °C, the permittivities of CaCu3Ti4O12, Ba(Fe1/2Nb1/2)O3, and Sr(Fe1/2Nb1/2)O3 ceramics varied nearly linearly, and the corresponding temperature coefficients of permittivity were −700, 175, and 164 ppm/ °C, respectively.
    Type of Medium: Online Resource
    ISSN: 0021-8979 , 1089-7550
    URL: Article
    DOI: 10.1063/1.3698627
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2012
    detail.hit.zdb_id: 220641-9
    detail.hit.zdb_id: 3112-4
    detail.hit.zdb_id: 1476463-5
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  • 7
    Online Resource
    Online Resource
    Univariate and multivariable forecasting models for ultra-short-term wind power prediction based on the similar day and LSTM network
    AIP Publishing ; 2021
    In:  Journal of Renewable and Sustainable Energy Vol. 13, No. 6 ( 2021-11-01)
    Details
    In: Journal of Renewable and Sustainable Energy, AIP Publishing, Vol. 13, No. 6 ( 2021-11-01)
    Abstract: High-precision wind power prediction is an important method to ensure the safety and stability of wind power integration. However, because of the intermittent and uncontrollable nature of wind speed sequences, the wind power prediction has become a difficult task. Given this, this paper studies the prediction of wind power from three aspects. First, combining a similar day with long short-term memory is proposed to predict ultra-short-term wind power, and the improved gray correlation analysis method is used to select a similar day. In addition, to study the influence of weather data on the accuracy of the prediction model, a univariable prediction model and a multivariable prediction model are proposed to predict ultra-short-term wind power, and their performances are compared. The experimental results show that all of the above studies help improve ultra-short-term wind power prediction accuracy. Finally, the uncertainty prediction (confidence interval) of wind power is estimated by the nonparametric kernel density estimation based on the Bootstrap-Kernel density method on the result of deterministic prediction, and the upper and lower limits of wind power fluctuation are given at a certain level of confidence. The research results can provide decision-makers with accurate data changes in risk analysis and reliability assessment.
    Type of Medium: Online Resource
    ISSN: 1941-7012
    URL: Article
    DOI: 10.1063/5.0027130
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2021
    detail.hit.zdb_id: 2444311-6
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  • 8
    Online Resource
    Online Resource
    Theoretical Study on Reaction Mechanism of Tautomerization of Indazole and 3-halogeno-indazole
    AIP Publishing ; 2006
    In:  Chinese Journal of Chemical Physics Vol. 19, No. 3 ( 2006-06-01), p. 233-237
    Details
    In: Chinese Journal of Chemical Physics, AIP Publishing, Vol. 19, No. 3 ( 2006-06-01), p. 233-237
    Abstract: The molecular structures of indazole and 3-halogeno-indazole tautomers were calculated by the B3LYP method at the 6-311G** level, both in the gaseous and aqueous phases, with full geometry optimization. The geometry and electronic structure of the tautomers of indazole, 3-halogeno-indazole and their transition states were obtained. The Onsager solvate theory model was employed for the aqueous solution calculations. The results of the calculation indicated that the N1-H form of the studied molecule is more stable than that of the N2-H form. The influences of the different 3-halogeno and solvent effects on the geometry, energy, charge and activation energy were discussed. The reaction mechanism of the tautomerization of indazole and 3-halogeno-indazole was also studied and a three-membered cyclic transition state of the tautomer reaction has been obtained.
    Type of Medium: Online Resource
    ISSN: 1674-0068 , 2327-2244
    URL: Article
    DOI: 10.1360/cjcp2006.19(3).233.5
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2006
    detail.hit.zdb_id: 2381472-X
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  • 9
    Online Resource
    Online Resource
    Experimental and Theoretical Study on Pyrolysis of Isopsoralen
    AIP Publishing ; 2012
    In:  Chinese Journal of Chemical Physics Vol. 25, No. 3 ( 2012-06-01), p. 249-253
    Details
    In: Chinese Journal of Chemical Physics, AIP Publishing, Vol. 25, No. 3 ( 2012-06-01), p. 249-253
    Abstract: The pyrolysis of isopsoralen was studied by synchrotron vacuum ultraviolet photoionization mass spectrometry at low pressure. The pyrolysis products were detected at different photon energies, the ratios of products to precursor were measured at various pyrolysis temperatures. The experimental results demonstrate that the main pyrolysis products are primary CO and sequential CO elimination products (C10H6O2 and C9H6O). The decomposition channels of isopsoralen were also studied by the density functional theory, then rate constants for competing pathways were calculated by the transition state theory. The dominant decomposition channels of isopsoralen and the molecular structures for corresponding products were identified by combined experimental and theoretical studies.
    Type of Medium: Online Resource
    ISSN: 1674-0068 , 2327-2244
    URL: Article
    DOI: 10.1088/1674-0068/25/03/249-253
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2012
    detail.hit.zdb_id: 2381472-X
    SSG: 6,25
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  • 10
    Online Resource
    Online Resource
    The sequential activation of H2 and N2 mediated by the gas-phase Sc3N+ clusters: Formation of amido unit
    AIP Publishing ; 2021
    In:  The Journal of Chemical Physics Vol. 154, No. 5 ( 2021-02-07)
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 154, No. 5 ( 2021-02-07)
    Abstract: The activation and hydrogenation of nitrogen are central in industry and in nature. Through a combination of mass spectrometry and quantum chemical calculations, this work reports an interesting result that scandium nitride cations Sc3N+ can activate sequentially H2 and N2, and an amido unit (NH2) is formed based on density functional theory calculations, which is one of the inevitable intermediates in the N2 reduction reactions. If the activation step is reversed, i.e., sequential activation of first N2 and then H2, the reactivity decreases dramatically. An association mechanism, prevalent in some homogeneous catalysis and enzymatic mechanisms, is adopted in these gas-phase H2 and N2 activation reactions mediated by Sc3N+ cations. The mechanistic insights are important to understand the mechanism of the conversion of H2 and N2 to NH3 synthesis under ambient conditions.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/5.0029180
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2021
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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