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71.
ABSTRACTWe present a novel approach for calculating the static dielectric permittivity profile of a liquid–liquid interface (LLI) from molecular dynamics simulations. To obtain well-defined features, comparable to those observed at solid–liquid interfaces, we find it essential to reference to the instantaneous liquid–liquid interface rather than the more commonly used average Gibbs interface. We provide a coarse-grained approach for the practical definition of the instantaneous interface and present numerical results for the prototypical water/1,2-dichloroethane system. These results show that the parallel components of the dielectric permittivity tensor can be accurately extracted. In contrast, the perpendicular component does not converge to the correct bulk value at large distances from the LLI, highlighting a flaw in the regularly applied coarse-graining procedure. 相似文献
72.
73.
The most momentous requirement a quantum theory of gravity must satisfy is Background Independence, necessitating in particular an ab initio derivation of the arena all non-gravitational physics takes place in, namely spacetime. Using the background field technique, this requirement translates into the condition of an unbroken split-symmetry connecting the (quantized) metric fluctuations to the (classical) background metric. If the regularization scheme used violates split-symmetry during the quantization process it is mandatory to restore it in the end at the level of observable physics. In this paper we present a detailed investigation of split-symmetry breaking and restoration within the Effective Average Action (EAA) approach to Quantum Einstein Gravity (QEG) with a special emphasis on the Asymptotic Safety conjecture. In particular we demonstrate for the first time in a non-trivial setting that the two key requirements of Background Independence and Asymptotic Safety can be satisfied simultaneously. Carefully disentangling fluctuation and background fields, we employ a ‘bi-metric’ ansatz for the EAA and project the flow generated by its functional renormalization group equation on a truncated theory space spanned by two separate Einstein–Hilbert actions for the dynamical and the background metric, respectively. A new powerful method is used to derive the corresponding renormalization group (RG) equations for the Newton- and cosmological constant, both in the dynamical and the background sector. We classify and analyze their solutions in detail, determine their fixed point structure, and identify an attractor mechanism which turns out instrumental in the split-symmetry restoration. We show that there exists a subset of RG trajectories which are both asymptotically safe and split-symmetry restoring: In the ultraviolet they emanate from a non-Gaussian fixed point, and in the infrared they loose all symmetry violating contributions inflicted on them by the non-invariant functional RG equation. As an application, we compute the scale dependent spectral dimension which governs the fractal properties of the effective QEG spacetimes at the bi-metric level. Earlier tests of the Asymptotic Safety conjecture almost exclusively employed ‘single-metric truncations’ which are blind towards the difference between quantum and background fields. We explore in detail under which conditions they can be reliable, and we discuss how the single-metric based picture of Asymptotic Safety needs to be revised in the light of the new results. We shall conclude that the next generation of truncations for quantitatively precise predictions (of critical exponents, for instance) is bound to be of the bi-metric type. 相似文献
74.
Frank Seela Hui Mei Hai Xiong Simone Budow Henning Eickmeier Hans Reuter 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(10):o395-o398
The title compound [systematic name: 4‐amino‐1‐(2‐deoxy‐β‐d ‐erythro‐pentofuranosyl)‐5‐ethynylpyrimidin‐2(1H)‐one], C11H13N3O4, shows two conformations in the crystalline state. The N‐glycosylic bonds of both conformers adopt similar conformations, with χ = −149.2 (1)° for conformer (I‐1) and −151.4 (1)° for conformer (I‐2), both in the anti range. The sugar residue of (I‐1) shows a C2′‐endo envelope conformation (2E, S‐type), with P = 164.7 (1)° and τm = 36.9 (1)°, while (I‐2) shows a major C3′‐exo sugar pucker (C3′‐exo‐C2′‐endo, 3T2, S‐type), with P = 189.2 (1)° and τm = 33.3 (1)°. Both conformers participate in the formation of a layered three‐dimensional crystal structure with a chain‐like arrangement of the conformers. The ethynyl groups do not participate in hydrogen bonding, but are arranged in proximal positions. 相似文献
75.
Denysenko D Werner T Grzywa M Puls A Hagen V Eickerling G Jelic J Reuter K Volkmer D 《Chemical communications (Cambridge, England)》2012,48(9):1236-1238
Postsynthetic metal ion exchange in a benzotriazolate-based MFU-4l(arge) framework leads to a Co(II)-containing framework with open metal sites showing reversible gas-phase oxidation properties. 相似文献
76.
D. Fliegner M. Reuter M. G. Schmidt C. Schubert 《Theoretical and Mathematical Physics》1997,113(2):1442-1451
By calculating the two-loop QED Euler-Heisenberg Lagrangian in dimensional regularization, we clarify a discrepancy between
two previous calculations of this quantity performed in proper-time regularization.
Translated from Teoreticheskaya i Matematicheskaya Fizika, Vol. 113, No. 2, pp. 289–300, November, 1997. 相似文献
77.
Focused ion beam implantation of gallium and dysprosium was used to locally insulate the near-surface two-dimensional electron gas of AlxGa1−xN/GaN heterostructures. The threshold dose for insulation was determined to be 2×1010 cm−1 for 90 keV Ga+ and 1×109 cm−1 for 200 keV Dy2+ at 4.2 K. This offers a tool not only for inter-device insulation but also for direct device fabrication. Making use of “open-T” like insulating line patterns, in-plane gate transistors have been fabricated by focused ion beam implantation. An exemplar with a geometrical channel width of 1.5 μm shows a conductance of 32 μS at 0 V gate voltage and a transconductance of around 4 μS, which is only slightly dependent on the gate voltage. 相似文献
78.
Ludwig Reuter Felix Goldmann und Kinzel 《Fresenius' Journal of Analytical Chemistry》1891,30(1):520-521
Ohne Zusammenfassung 相似文献
79.
80.
K. Ballschmiter H. Buchert Th. Class W. Krämer H. Magg A. Munder U. Reuter W. Schäfer M. Swerev R. Wittlinger und W. Zoller 《Fresenius' Journal of Analytical Chemistry》1985,320(7):711-717
Ohne Zusammenfassung
Isomer-specific determination of the polychlorinated dibenzodioxins (PCDD) and polychlorinated dibenzofurans (PCDF)相似文献