Evolution of the structure of amorphous ice - from low-density amorphous (LDA) through high-density amorphous (HDA) to very high-density amorphous (VHDA) ice

We report results of molecular dynamics simulations of amorphous ice for pressures up to 22.5 kbar. The high-density amorphous ice (HDA) as prepared by pressure-induced amorphization of Ih ice at T=80 K is annealed to T=170 K at various pressures to allow for relaxation. Upon increase of pressure, relaxed amorphous ice undergoes a pronounced change of structure, ranging from the low-density amorphous ice (LDA) at p=0, through a continuum of HDA states to the limiting very high-density amorphous ice (VHDA) regime above 10 kbar. The main part of the overall structural change takes place within the HDA megabasin, which includes a variety of structures with quite different local and medium-range order as well as network topology and spans a broad range of densities. The VHDA represents the limit to densification by adapting the hydrogen-bonded network topology, without creating interpenetrating networks. The connection between structure and metastability of various forms upon decompression and heating is studied and discussed. We also discuss the analogy with amorphous and crystalline silica. Finally, some conclusions concerning the relation between amorphous ice and supercooled water are drawn.Comment: 11 pages, 12 postscript figures. To be published in The Journal of Chemical Physic

Results of a 0.03- scale aerodynamic characteristics investigation of Boeing 747 carrier (model no. AX 1319 I-1) mated with a space shuttle orbiter (model 45-0) conducted in the Boeing transonic wind tunnel (CA5), volume 1

The performance, stability, and control characteristics of various carrier aircraft configurations are presented. Aerodynamic characteristics of the carrier mated with the Orbiter, carrier alone, and Orbiter alone were investigated. Carrier support system tare and interference effects were determined. Six-component force and moment data were recorded for the carrier and Orbiter. Buffet onset characteristics of the carrier vertical tail and horizontal tail were recorded. Angles of attack from -3 deg through 26 deg and angles of slideslip between +12 deg and -12 deg were investigated at Mach numbers from 0.15 through 0.70. Photographs are included

Anharmonicity and self-similarity of the free energy landscape of protein G

The near-native free energy landscape of protein G is investigated through 0.4 microseconds-long atomistic molecular dynamics simulations in explicit solvent. A theoretical and computational framework is used to assess the time-dependence of salient thermodynamical features. While the quasi-harmonic character of the free energy is found to degrade in a few ns, the slow modes display a very mild dependence on the trajectory duration. This property originates from a striking self-similarity of the free energy landscape embodied by the consistency of the principal directions of the local minima, where the system dwells for several ns, and of the virtual jumps connecting them.Comment: revtex, 6 pages, 5 figure

Shuttle model tailcone pressure distribution at low subsonic speeds of a 0.03614-scale model in the NASA/LaRC low-turbulence pressure tunnel (LA81), volume 1

An investigation was conducted in the NASA/LaRC Low-Turbulence Pressure Tunnel on a 0.03614-scale orbiter model of a 089B configuration with a 139B configuration nose forward of F.S. 500. The tailcone was the TC sub 4 design and was instrumented with eighty-nine pressure orifices. Control surfaces were deflected and three wind tunnel mounting techniques were investigated over an angle-of-attack range from -2 deg to a maximum of 18 deg. In order to determine the sensitivity of the tailcone to changes in Reynolds number, most of the test was made at a Mach number of 0.20 over a Reynolds number range of 2.0 to 10 million per foot. A few runs were made at a Mach number of 0.30 at Reynolds numbers of 4.0, 6.0, and 8 million per foot

Shuttle model tailcone pressure distribution at low subsonic speeds of a 0.03614-scale model in the NASA/LaRC low-turbulence pressure tunnel (LA81), volume 2

For abstract, see Vol 1