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Sandia Technology logo A quarterly research and development magazine.

Winter 2006/2007
Volume 8, No. 4

SANDIA TECHNOLOGY

water molecules
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Understanding 'metallic water'

metallic water molecules
The electrically conducting structure of metallic water occurs at a more accessible part of the water phase diagram than formerly thought. Here, a snapshot from a computer simulation demonstrates the atomic disorder. Red spheres are hydrogen atoms, white spheres are oxygen atoms, and the electron density from a partially occupied electron state responsible for the conductivity is shown in gold.
A new computational model developed at Sandia alters significantly the theoretical diagram used to understand water at extreme temperatures and pressures and expands the known range of water’s electrical conductivity, according to Labs’ researchers Mike Desjarlais and Thomas Mattsson.

The Sandia work shows that phase boundaries for “metallic water” — water with its electrons able to migrate like a metal’s — should be lowered from 7,000 to 4,000 kelvin and from 250 to 100 gigapascals of pressure. A phase boundary describes conditions at which materials change state. An example would be water changing to steam or ice. In this instance, water in its pure state — an electrical insulator — becomes a conductor.

One ramification of the lowered boundary is revision of astronomy calculations of the strength of the magnetic cores of gas-giant planets like Neptune. Because the planet’s temperatures and pressures lie partly in the revised sector, electrically conducting water probably contributes to Neptune’s magnetic field.

neptune
This view of Neptune, from NASA’s Voyager spacecraft, shows its blue-green atmosphere.
The recent calculations — published in Physical Review Letters last summer and presented at the 12th International Workshop on the Physics of Non-Ideal Plasmas, held in Darmstadt, Germany — agree with experimental measurements in research led by Peter Celliers of Lawrence Livermore National Laboratory. The electrically conducting structure of metallic water occurs at a more accessible part of the water phase diagram than formerly thought. Here, a snapshot from a computer simulation demonstrates the atomic disorder. Red spheres are hydrogen atoms, white spheres are oxygen atoms, and the electron density from a partially occupied electron state responsible for the conductivity is shown in gold.

The effort began with a look at a specific problem. “We were trying to understand conditions at [a powerful Sandia accelerator known as] Z,” says Mattsson, a theoretical physicist, “but the problems are so advanced that they linked to other branches of science.”