Structure of coexisting liquid phases of supercooled water: analogy with ice polymorphs.

The structural changes occurring in supercooled liquid water upon moving from one coexisting liquid phase to the other have been investigated by computer simulation using a polarizable interaction potential model. The obtained results favorably compare with recent neutron scattering data of high and low density water. In order to assess the physical origin of the observed structural changes, computer simulation of several ice polymorphs has also been carried out. Our results show that there is a strict analogy between the structure of various disordered (supercooled) and ordered (ice) phases of water, suggesting that the occurrence of several different phases of supercooled water is rooted in the same physical origin that is responsible for ice polymorphism.

ICE Manual of Structural Design

Part of the ICE manuals series, ICE manual of structural design is the essential reference for all structural engineers involved in the design of buildings and other structures.

First-principles energetics of water clusters and ice: a many-body analysis.

Standard forms of density-functional theory (DFT) have good predictive power for many materials, but are not yet fully satisfactory for cluster, solid, and liquid forms of water. Recent work has stressed the importance of DFT errors in describing dispersion, but we note that errors in other parts of the energy may also contribute. We obtain information about the nature of DFT errors by using a many-body separation of the total energy into its 1-body, 2-body, and beyond-2-body components to analyze the deficiencies of the popular PBE and BLYP approximations for the energetics of water clusters and ice structures. The errors of these approximations are computed by using accurate benchmark energies from the coupled-cluster technique of molecular quantum chemistry and from quantum Monte Carlo calculations. The systems studied are isomers of the water hexamer cluster, the crystal structures Ih, II, XV, and VIII of ice, and two clusters extracted from ice VIII. For the binding energies of these systems, we use the machine-learning technique of Gaussian Approximation Potentials to correct successively for 1-body and 2-body errors of the DFT approximations. We find that even after correction for these errors, substantial beyond-2-body errors remain. The characteristics of the 2-body and beyond-2-body errors of PBE are completely different from those of BLYP, but the errors of both approximations disfavor the close approach of non-hydrogen-bonded monomers. We note the possible relevance of our findings to the understanding of liquid water.

Linear spatio-temporal instability analysis of ice growth under a falling water film

A linear spatio-temporal stability analysis is conducted for the ice growth under a falling water film along an inclined ice plane. The full system of linear stability equations is solved by using the Chebyshev collocation method. By plotting the boundary curve between the linear absolute and convective instabilities (AI/CI) of the ice mode in the parameter plane of the Reynolds number and incline angle, it is found that the linear absolute instability exists and occurs above a minimum Reynolds number and below a maximum inclined angle. Furthermore, by plotting the critical Reynolds number curves with respect to the inclined angle for the downstream and upstream branches, the convectively unstable region is determined and divided into three parts, one of which has both downstream and upstream convectively unstable wavepackets and the other two have only downstream or upstream convectively unstable wavepacket. Finally, the effect of the Stefan number and the thickness of the ice layer on the AI/CI boundary curve is investigated.

Design Study of a Heavily Loaded Ice Class Propeller Using an Advance Panel Method

A design and optimization procedure developed and used for a propeller installed on a twin-semitunnel-hull ship navigating in very shallow and icy water under heavy load conditions is presented. The base propeller for this vessel was first determined using classic design routines under open-water condition with existing model test data. In the optimization process, a panel method code (PROPELLA) was used to vary the pitch values and distributions and take into account the inflow wake distribution, tunnel gap, and cavitation effects. The optimized propeller was able to improve a ship speed of 0.02 knots higher than the desired speed and 0.06 knots higher than the classic B-series propeller. The analysis of the effect of inflow wake, hull tunnel, cavitation, and blade rake angle on propulsive performance is the focus of this paper.

Synchronism of Holocene East Asian monsoon variations and North Atlantic drift-ice tracers (vol 65；pg 443；2006)

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Direct micropatterning of polymer materials by ice mold

Micropatterning of functional polymer materials by micromolding in capillaries (MIMIC) with ice mold is reported in this paper. Ice mold was selected due to its thaw or sublimation. Thus, the mold can be easily removed. Furthermore, the polymer solution did not react with, swell, or adhere to the ice mold, so the method is suitable for many kinds of materials (such as P3HT, PMMA Alq(3)/PVK, PEDOT: PSS, PS, P2VP, etc.). Freestanding polymer microstructures, binary polymer pattern, and microchannels have been fabricated by the use of ice mold freely.

Study of electron transfer across the liquid/ice-like matrix interface by scanning electrochemical microscopy

In this work, we report the findings of a study on scanning electrochemical microscopy (SECM) to investigate the interfacial electron-transfer (ET) reaction between the 7,7,8,8-tetracyanoquinodimethane radical anion (TCNQ(.-)) in 1,2-dichloroethane and ferricyanide in an ice-like matrix (a mixture of insulting ice and conductive liquid) under low temperatures. Experimental results indicate that the formed liquid/ice-like matrix interface is superficially similar in electrochemical characteristics to a liquid/liquid interface at temperatures above -20 degreesC. Furthermore, imaging data show that the surface of the ice-like matrix is microscopically flat and physically stable and can be applied as either a conductive or an insulting substrate for SECM studies. Perchlorate ion was selected as the common ion in both phases, the concentrations of which controlled the interfacial potential difference. The effect of perchlorate concentration in the DCE phase on interfacial reactions has been studied in detail. The apparent heterogeneous rate constants for TCNQ(.-) oxidation by Fe(CN)(6)(3-) in another phase under different temperatures have been calculated by a best-fit analysis, where the experimental approach curves are compared with the theoretically derived relationships. Reaction rate data obey Butler-Volmer formulation before and after the freezing point, which is similar to most other known cases of ET reactions at liquid/liquid interfaces. However, there is a sharp change observed for heterogeneous rate constants around the freezing point of the aqueous phase, which reflects the phase transition. At temperatures below -20 degreesC, surface-confined voltammograms for the reduction of ferricyanide were obtained, and the ice-like matrix became an insulating one, which indicates that the aqueous phase is really a frozen phase.