Local elevation method

Metadynamics was originally introduced as a coarse dynamics in collective variable space, much in the spirit of Ref. 39. This dynamics was then accelerated by adding a penalty to the already visited states, similarly to the taboo search method" and the local elevation method." Later, a version based on an extended Lagrangian formalism was introduced. Presently, the most adopted variant is the continuous one. In this chapter, we will only focus on this latter version. 

Huber, T., Torda, A. E. and van Gunsteren, W. F. (1994). Local elevation A method for improving the searching properties of molecular dynamics simulation. J. Comput.-Aided Mol. Design, 8, 695-708. 

Fluorides. Uranium fluorides play an important role in the nuclear fuel cycle as well as in the production of uranium metal. The dark purple UF [13775-06-9] has been prepared by two different methods neither of which neither have been improved. The first involves a direct reaction of UF [10049-14-6] and uranium metal under elevated temperatures, while the second consists of the reduction of UF [10049-14-6] by UH [13598-56-6]. The local coordination environment of uranium in the trifluoride is pentacapped trigonal prismatic with an 11-coordinate uranium atom. The trifluoride is... 

We have applied FCS to the measurement of local temperature in a small area in solution under laser trapping conditions. The translational diffusion coefficient of a solute molecule is dependent on the temperature of the solution. The diffusion coefficient determined by FCS can provide the temperature in the small area. This method needs no contact of the solution and the extremely dilute concentration of dye does not disturb the sample. In addition, the FCS optical set-up allows spatial resolution less than 400 nm in a plane orthogonal to the optical axis. In the following, we will present the experimental set-up, principle of the measurement, and one of the applications of this method to the quantitative evaluation of temperature elevation accompanying optical tweezers. 

We have also developed a method of measurement for local temperature in microspace with a fluorescence correlation technique. Using this method, the temperature elevation at the optical trapping point due to absorption of the NIR trapping beam by solvent was quantitatively evaluated the temperature at the trapping point increased linearly with increase in the incident NIR light, and the temperature elevation coefficient was mainly dependent on two physical parameters of the solvent the absorption coefficient at 1064 nm and the thermal conductivity. 

Besides the lapse-rate based methodologies, other methods have also been applied to estimate paleoelevation for Florissant. Another approach based on paleobotany has used enthalpy (Forest et al. 1995 Wolfe et al 1998), based on principles of atmospheric energy conservation, and results from this method have produced high elevation estimates (2900-3800 m) comparable to those of the local and regional lapse rate methods. Analysis of stable isotopes from mammalian tooth enamel provides preliminary results that indicate low relief and low elevation (Barton and Fricke 2006). 

The methods for estimating paleoaltitudes based on thermodynamic methods have been summarized. The basic algorithm requires comparing the local paleoclimate from some elevated region to that at sea level and at approximately the same latitude. It is argued that comparing... 

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