Dissociation of hydrogen chloride (HCI) molecule trapped inside a carbon nanotube due to the laser pulse irradiation. |
NEC
Corporation announced today that it succeeded in the world’s first
simulation-based prediction of laser-induced photochemical reactions
that can efficiently eject a hydrogen atom from a hydrogen chloride
molecule trapped inside a carbon nanotube. The simulation was conducted
on the “Earth Simulator,” which NEC deployed for the Japan Agency for
Marine-Earth Science and Technology, an independent administrative
organization.
These
results are expected to pave the way for the quantity synthesis of not
only hydrogen, but also inexpensive materials through the facilitation
of known photochemical reactions due to the laser pulse irradiation, as well as the development of new materials.
Results were published online on December 7 by the Physical Review Letters, a prestigious academic journal of the American Institute of Physics.
The
Earth Simulator topped the HPC Challenge Award for Fast Fourier
Transform (FFT) performance at the SC10 supercomputing conference held
in the United States in November 2010. The Earth Simulator demonstrated
the world’s top-level computing efficiency, especially for complicated
applications, including nanoscience, quest for new materials and weather
prediction.
The
FFT dominates almost half of the processing in the application software
used for this research. The Earth Simulator significantly reduced the
computing time needed for laser pulse irradiation; taking just two days
in contrast to the several months required by conventional
supercomputers. As a result, it is now possible to determine the optimum
laser intensity in a realistic timeframe with a series of simulations
for variable laser intensities.
This
research was carried out under a collaborative research contract with
JAMSTEC titled “Large-scale Simulation of Characteristics of Carbon
Nanotubes.”
The
application fields of the Earth Simulator, with its outstanding
sustained performance, span a wide range of areas. For example, it
contributes to more accurate climate change projections and the
comprehensive understanding of environmental issues, such as the
assessment of the effects of global warming for the fifth report of the
Intergovernmental Panel on Climate Change (IPCC), as well as prevention
and mitigation of natural disasters through high-resolution simulations
of earthquakes and seismic surges. Moreover, the Earth Simulator is
utilized heavily in tackling energy issues and developing new materials
by leveraging cooperative relations with industry partners.
Looking
forward, NEC aims to support leading-edge research and development
capitalizing on advanced supercomputers, such as the Earth Simulator,
with superior HPC technologies.
SOURCE: NEC
