5,732 research outputs found

    Comment on "Modifying the variational principle in the action integral functional derivation of time-dependent density functional theory" by Jochen Schirmer [arXiv:1010.4223]

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    In a paper recently published in Phys. Rev. A [arXiv:1010.4223], Schirmer has criticized an earlier work of mine [arXiv:0803.2727], as well as the foundations of time-dependent density functional theory. In Ref.[2], I showed that the so-called "causality paradox" - i.e., the failure of the exchange-correlation potential derived from the Runge-Gross time-dependent variational principle to satisfy causality requirements - can be solved by a careful reformulation of that variational principle. Fortunately, the criticism presented in Ref.[1] is based on elementary misunderstandings of the nature of functionals, gauge transformations, and the time-dependent variational principle. In this Comment I wish to point out and clear these misunderstandings.Comment: 4 pages. Accepted for publication in Phys. Rev.

    Development of Surfaces Optically Suitable for Flat Solar Panels

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    Innovations in reflectometry techniques are described; and the development of an absorbing selective coating is discussed along with details of surface properties. Conclusions as to the parameterization desired for practical applications of selective surfaces are provided

    The effects of temperature gradient and growth rate on the morphology and fatigue properties of MAR-M246(Hf)

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    MAR-M246(Hf) is a nickel based superalloy used in the turbopump blades of the Space Shuttle main engines. The effects are considered of temperature gradient (G) and growth rate (R) on the microstructure and fatigue properties of this superalloy. The primary dendrite arm spacings were found to be inversely proportional to both temperature gradient and growth rate. Carbide and gamma - gamma prime morphology trends were related to G/R ratios. Weibull analysis of fatigue results shows the characteristic life to be larger by a factor of 10 for the low gradient/fast rate pairing of G and R, while the reliability (beta) was lower

    Developments in Agricultural Biotechnology

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    First principles investigation of finite-temperature behavior in small sodium clusters

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    A systematic and detailed investigation of the finite-temperature behavior of small sodium clusters, Na_n, in the size range of n= 8 to 50 are carried out. The simulations are performed using density-functional molecular-dynamics with ultrasoft pseudopotentials. A number of thermodynamic indicators such as specific heat, caloric curve, root-mean-square bond length fluctuation, deviation energy, etc. are calculated for each of the clusters. Size dependence of these indicators reveals several interesting features. The smallest clusters with n= 8 and 10, do not show any signature of melting transition. With the increase in size, broad peak in the specific heat is developed, which alternately for larger clusters evolves into a sharper one, indicating a solidlike to liquidlike transition. The melting temperatures show irregular pattern similar to experimentally observed one for larger clusters [ M. Schmidt et al., Nature (London) 393, 238 (1998) ]. The present calculations also reveal a remarkable size-sensitive effect in the size range of n= 40 to 55. While Na_40 and Na_55 show well developed peaks in the specific heat curve, Na_50 cluster exhibits a rather broad peak, indicating a poorly-defined melting transition. Such a feature has been experimentally observed for gallium and aluminum clusters [ G. A. Breaux et al., J. Am. Chem. Soc. 126, 8628 (2004); G. A.Breaux et al., Phys. Rev. Lett. 94, 173401 (2005) ].Comment: 8 pages, 11 figure

    Hot-water aquifer storage: A field test

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    The basic water injection cycle used in a large-scale field study of heat storage in a confined aquifer near Mobile, Alabama is described. Water was pumped from an upper semi-confined aquifer, passed through a boiler where it was heated to a temperature of about 55 C, and injected into a medium sand confined aquifer. The injection well has a 6-inch (15-cm) partially-penetrating steel screen. The top of the storage formation is about 40 meters below the surface and the formation thickness is about 21 meters. In the first cycle, after a storage period of 51 days, the injection well was pumped until the temperature of the recovered water dropped to 33 c. At that point 55,300 cubic meters of water had been withdrawn and 66 percent of the injected energy had been recovered. The recovery period for the second cycle continued until the water temperature was 27.5 C and 100,100 cubic meters of water was recovered. At the end of the cycle about 90 percent of the energy injected during the cycle had been recovered

    The Internship: A Practical Experience

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    Voltage-Controlled Surface Magnetization of Itinerant Ferromagnet Ni_(1-x)Cu_x

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    We argue that surface magnetization of a metallic ferromagnet can be turned on and off isothermally by an applied voltage. For this, the material's electron subsystem must be close enough to the boundary between para- and ferromagnetic regions on the electron density scale. For the 3d series, the boundary is between Ni and Cu, which makes their alloy a primary candidate. Using Ginzburg-Landau functional, which we build from Ni_(1-x)Cu_x empirical properties, ab-initio parameters of Ni and Cu, and orbital-free LSDA, we show that the proposed effect is experimentally observable.Comment: 4 pages; 2 figures; submitted to PRL February 16th 2008; transferred to PRB June 21st 2008; published July 15th 200
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