Field Evaluations

Large stepsizes result in a strong reduction of the number of force field evaluations per unit time (see left hand side of Fig. 4). This represents the major advantage of the adaptive schemes in comparison to structure conserving methods. On the right hand side of Fig. 4 we see the number of FFTs (i.e., matrix-vector multiplication) per unit time. As expected, we observe that the Chebyshev iteration requires about double as much FFTs than the Krylov techniques. This is due to the fact that only about half of the eigenstates of the Hamiltonian are essentially occupied during the process. This effect occurs even more drastically in cases with less states occupied. 

Pig. 4. Photo dissociation of ArHCl. Left hand side the number of force field evaluations per unit time. Right hand side the number of Fast-Fourier-transforms per unit time. Dotted line adaptive Verlet with the Chebyshev approximation for the quantum propagation. Dash-dotted line with the Lanczos iteration. Solid line stepsize controlling scheme based on PICKABACK. If the FFTs are the most expensive operations, PiCKABACK-like schemes are competitive, and the Lanczos iteration is significantly cheaper than the Chebyshev approximation. 

The fifth and final chapter, on Parallel Force Field Evaluation, takes account of the fact that the bulk of CPU time spent in MD simulations is required for evaluation of the force field. In the first paper, BOARD and his coworkers present a comparison of the performance of various parallel implementations of Ewald and multipole summations together with recommendations for their application. The second paper, by Phillips et AL., addresses the special problems associated with the design of parallel MD programs. Conflicting issues that shape the design of such codes are identified and the use of features such as multiple threads and message-driven execution is described. The final paper, by Okunbor Murty, compares three force decomposition techniques (the checkerboard partitioning method. 

A second field evaluation of the ASP process has been initiated in Wyoming. Additionally, an ASP field project has been designed for the Peoples Repubhc of China. The appHcability of the ASP process to a variety of reservoirs has yet to be fully determined. AppHcation of alkali and alkali polymer flooding has been limited to cmde oils having discernible acid numbers, wherein the alkali produced cmde oil soaps which in combination with alkali resulted in providing low interfacial tensions. The ASP process appears to be suitable for cmde oils with nil acid numbers (177), and hence should have broad apphcabdity. 

L. Semprini and co-workers, A Field Evaluation of In Situ Biodegradation for Aquifer Restoration, U.S. Environmental Protection Agency, EPA/600/2-87/096, Washington, D.C., 1987. 

D. Whiting u. D. Stark, Cathodic Protection for Reinforced Concrete Bridge Decks B Field Evaluation, Final Report, Construction Technology Laboratories, Portland Cement Association, Skokie, Illinois, NCHRP 12-13A (1981). 

We have presented a simple protocol to run MD simulations for systems of interest. There are, however, some tricks to improve the efficiency and accuracy of molecular dynamics simulations. Some of these techniques, which are discussed later in the book, are today considered standard practice. These methods address diverse issues ranging from efficient force field evaluation to simplified solvent representations. 

Force field evaluation suite http //www.ccl.net/cca/data/jf evaluation suite/... 

For the purpose of quick estimates or field evaluation of existing systems, consider the curve in Figure 3-27. This curve is not meant to supersede a comprehensive analysis as previously discussed. It should be used in checking vendor proposals or in revising existing installations where a single cylinder is connected to a header without the interaction of multiple cylinders. While not a hard rule, the curve should be conservative for... 

J.R. Kidd, Field Evaluation of Minol II Explosives as a Fill for General Purpose Bombs , ADTC-TR-68-46 (Oct 1968) 73) S. Wronka,... 

Fig. 15-5 Comparative adsorption of several metals onto amorphous iron oxyhydroxide systems containing 10 M Fej and 0.1 m NaNOs. (a) Effect of solution pH on sorption of uncomplexed metals, (b) Comparison of binding constants for formation of soluble Me-OH complexes and formation of surface Me-O-Si complexes i.e. sorption onto Si02 particles, (c) Effect of solution pH on sorption of oxyanionic metals. (Figures (a), (c) reprinted with permission from Manzione, M. A. and Merrill, D. T. (1989). "Trace Metal Removal by Iron Coprecipitation Field Evaluation," EPRI report GS-6438, Electric Power Research Institute, California. Figure (b) reprinted with permission from Balistrieri, L. et al. (1981). Scavenging residence times of trace metals and surface chemistry of sinking particles in the deep ocean, Deep-Sea Res. 28A 101-121, Pergamon Press.)...

Vandenberg JA, Ryan MC, Nuell DD, Chu A (2005) Field evaluation of mixing length and attenuation of nutrients and fecal coliform in a wastewater effluent plume. Environ Monit Assess 107 45-57... 

TABLE 34,4 Ratio of Initial Properties, Oven/Field Evaluation Vehicle Type-/Tire Skim Peel Skim Cross-Link Wedge Peel Wedge Elongation Wedge... 

Hopkins GD, PL McCarty (1995) Field evaluation of in situ aerobic cometabolism of trichloroethylene and three dichloroethylene isomers using phenol and toluene as primary substrates. Environ Sci Technol 29 1628-1637. 

Fries MR, GD Hopkins, PL McCarty, LJ Forney, JM Tiedje (1998a) Microbial succession during a field evaluation of phenol and toluene as the primary substrates for trichloroethene cometabolism. Appl Environ Microbiol 63 1515-1522. 

Swannell RPJ, K Lee, M McDonagh (1996) Field evaluations of marine oil spill bioremediation. Microbiol Rev 60 342-365. 

Davis MW, JA Glaser, JW Evans, RT Lamer (1993) Field evaluation of the lignin-degrading fungus Phanerochaete sordida to treat creosote-contaminated soil. Environ Sci Technol 27 2572-2576. 

The degradation of tetrachloromethane by Pseudomonas stutzeri strain KC involves hydrolysis to CO2 by a mechanism involving the natnrally prodnced pyridine-2,6-dithiocarboxylic acid (Lewis et al. 2001) details have already been discnssed in Chapter 7, Part 3. This organism was nsed in field evaluation at a site at which the indigenons flora was ineffective, and acetate was used as electron donor (Dybas et al. 2002). One novel featnre was inocnlation at a series of wells perpendicnlar to the established flow of the gronndwater plnme. Effective removal of tetrachloromethane was snstained over a period of 4 years, and transient levels of chloroform and H2S disappeared after redncing the concentration of acetate. 

Goltz MN, RK gandhi, SM Gorelick, GD Hopkins, LH Smith, BH Timmins, PL McCarthy (2005) Field evaluation of in situ source reduction of trichloroethylene in groundwater using bioenhanced in-situ vapor stripping. Environ Sci Technol 39 8963-8970. 

L. A. Cantu and P. A. Boyd. Laboratory and field evaluation of a combined fluid-loss control additive and gel breaker for fracturing fluids. In Proceedings Volume, pages 7-16. SPE Oilfield Chem Int Symp (Houston, TX, 2/8-2/10), 1989. 

D. A. Glowka, G. E. Loeppke, P. B. Rand, and E. K. Wright. Laboratory and field evaluation of polyurethane foam for lost circulation control, volume 13 of The geysers—three decades of achievement A window on the future, pages 517-524. Geothermal Resources Council, Davis, CA, 1989. 

Field Evaluation Studies for Cytolytic/Fungicidal Substances (26). 

Baiba, M., Al-Awadhi, N., and Al-Daher, R., Bioremediation of oil-contaminated soil Microbiological methods for feasibility assessment and field evaluation, J Microbiol Methods, 32 (2), 155-164, 1998. 

Benson, C.H., et al., Field evaluation of alternative earthen final covers, International Journal of Phytoremediation, 3 (1), 105-127, 2001. 

Chester, G., Adam, A.V., Koch, A.I., Litchfield, M.H., and Tuinman, C.P (1990a) Field evaluation of protective equipment for pesticide operators in a tropical climate, Med. Lav., 81 480-488. 

Nigg, H.N., Stamper, J.H., Easter, E.P., and Dejonge, J.O. (1992) Field evaluation of coverall fabrics heat stress and pesticide penetration, Arch. Environ. Contam. Toxicol., 23 281-288. 

Woo, G.T. and Cramer, D.D. "Laboratory and Field Evaluation of Fluid-Loss Additive Systems Used in the Williston Basin," SPE paper 12899, 1984 Rocky Mountain Regional Meeting, Casper, May 21-23. 

Cantu, L.A. and Boyd, P.A. "Laboratory and Field Evaluation of a Combined Fluid Loss Control Additive and Gel Breaker for Fracturing Fluids," SPE paper 18211, 1988 SPE Annual Technical Conference and Exhibition, Houston, October 2 5. 

Conway, M.U. and Harris, L.E. "A Laboratory and Field Evaluation of a Technique for Hydraulic Fracturing Stimulation of Deep Wells," SPE paper 10964, 1982 SPE Annual Technical Conference and Exhibition of AIME, New Orleans, September 26 29. 

The Field Evaluation of Transgenic Crops Engineered to Produce Recombinant Proteins... 

Chang, V.C.S. and W.H. Lange. 1967. Laboratory and field evaluation of selected pesticides for control of red crayfish in California rice fields. Jour. Econ. Entomol. 60 473-477. 

Moore, J.B. and S.G. Breeland. 1967. Field evaluation of two mosquito larvicides, Abate and Dursban against Anopheles quadrimaculatus and associated Culex species. Mosquito News 27 105-111. 

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