QUICK
FACTS
Lecturer Hiroshi Kamiyama, of the Department of Business Management
and Economics from Aomori University in Japan, uses PV-WAVE Advantage®
to simulate and analyze the properties of materials. His principal
research focuses on elements that have a Frahlen structure, such
as C60. A new material similar in appearance to diamond or graphite,
but completely different in structure, C60 is gaining worldwide
attention as a new material for the 21st century.
THE PROBLEM
To investigate the properties of C60, researchers have adopted a
method called the "mixed-base method." Kamiyama does not
use parameters obtained from experience, but rather only the basic
relative action between atoms to measure the electron state of C60
and to investigate its properties. The researchers have succeeded
in combining this mixed-base method" with molecular dynamics
to form a method of primary principle molecular dynamics, which
makes it possible not only to use the electron state, but also to
use the dynamics and quantum mechanics of atomic vibrations as well.
"As a result of applying this method to measure C60, we were
able to confirm that the measurements we obtained using simulation
matched the results of the electron state and vibration state of
C60 obtained experimentally," stated Kamiyama.
THE SOLUTION
In this research, PV-WAVE® visualization software was an essential
tool to make it possible to visualize the data of the simulation
results. "With PV-WAVE Advantage, it is even possible to visualize
spectrum analysis. Because our college is a literary school, it
is not necessary to have a complete understanding of the calculations.
I would rather concentrate on having students gain an understanding
of the theory than to use all of their efforts on difficult calculations.
The best way to grasp an understanding of the theory is to visualize
the results of the calculations," Kamiyama says.
Prior to joining Aomori University, Kamiyama first used PV-WAVE
Advantage while engaged in research at the Metals Research Lab at
Tohoku University, which is well known for its research of materials.
His analysis has focused on how C60 adheres to surfaces such as
silicon or copper and its physical properties. In experiments using
a scanning tunnel microscope, it was discovered that a two-dimensional
array was formed on the surface of silicon. With this as a model,
in order to perform a theoretical confirmation, the band structure
of a two-dimensional crystal of C60 was measured, and the electron
state in the vicinity of the Fermi surface was investigated. When
PV-WAVE 
Advantage
was used to visualize the results, it was confirmed that the stripes
seen by the microscope were formed in C60 near the Fermi surface.
Also, when C60 was arranged systematically, interaction occurs when
two molecules came close together, and it was clearly seen that
the electrons start to move together. Researchers believe that if
this could be effectively controlled, it would be possible to use
C60 in memory devices.
RETURN ON INVESTMENT
"In the future we plan to use PV-WAVE Advantage in basic courses
as well as special courses." Lecturer Kamiyama's aim is to
use PV-WAVE Advantage's two-dimensional graphics to visually display
statistical results in an attempt to provide deeper understanding
for his students.
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