Zobrazeno 1 - 10
of 32
pro vyhledávání: '"Nakamura, Hiroaki"'
We performed molecular dynamics simulations of coalescence of two vacancies in a tungsten (W) crystal to elucidate the effect of temperature and hydrogen atoms. Simulations were performed for two types of vacancy structures, $\mathrm{V}_9 + \mathrm{W
Externí odkaz:
http://arxiv.org/abs/2407.02032
Autor:
Yamada, Kazumasa, Shinozaki, Bunju, Narikiyo, Takashi, Takigawa, Yousuke, Kuroda, Norihiro, Bando, Toru, Nakamura, Hiroaki
The conductivity $\sigma$ and carrier density $n$ of the conducting polymer polyaniline were investigated by changing the concentration $x$ of a secondary dopant, meta-cresol. We found that $\sigma$ changes by four orders of magnitude within the $x$-
Externí odkaz:
http://arxiv.org/abs/1808.08838
By using molecular dynamics simulation, formation mechanisms of amorphous carbon in particular sp${}^3$ rich structure was researched. The problem that reactive empirical bond order potential cannot represent amorphous carbon properly was cleared in
Externí odkaz:
http://arxiv.org/abs/1207.0925
Autor:
Ito, Atsushi M., Takayama, Arimichi, Saito, Seiki, Ohno, Noriyasu, Kajita, Shin, Nakamura, Hiroaki
By molecular dynamics simulation, the chemical vapor deposition of amorphous carbon onto graphite and diamond surfaces was studied. In particular, we investigated the effect of source H/C ratio, which is the ratio of the number of hydrogen atoms to t
Externí odkaz:
http://arxiv.org/abs/1009.1508
Molecular dynamics (MD) simulation with modified Brenner's reactive empirical bond order (REBO) potential is a powerful tool to investigate plasma wall interaction on divertor plates in a nuclear fusion device. However, MD simulation box's size is le
Externí odkaz:
http://arxiv.org/abs/1006.4441
We have investigated plasma-surface interactions with molecular dynamics (MD) simulations. It, however, is high cost computation and is limited to simulations for materials of nanometer order. In order to overcome the limitation, a complementary mode
Externí odkaz:
http://arxiv.org/abs/1005.3344
Incident angle dependence of reactions between graphene and hydrogen atoms are obtained qualitatively by classical molecular dynamics simulation under the NVE condition with modified Brenner reactive empirical bond order (REBO) potential. Chemical re
Externí odkaz:
http://arxiv.org/abs/0912.2593
Autor:
Matsuo, Mari, Endo, Akira, Hatano, Naomichi, Nakamura, Hiroaki, Shirasaki, Ryoen, Sugihara, Ko
We report a theoretical calculation explaining the quantum Nernst effect observed experimentally in a bismuth single crystal. Generalizing the edge-current picture in two dimensions, we show that the peaks of the Nernst coefficient survive in three d
Externí odkaz:
http://arxiv.org/abs/0812.2730
Autor:
Ito, Atsushi, Nakamura, Hiroaki
New interlayer intermolecular potential model was proposed and it represented ``ABAB'' staking of graphite. Hydrogen atom sputtering on graphite surface was investigated using molecular dynamics simulation. In the initial short time period, maintaini
Externí odkaz:
http://arxiv.org/abs/0711.3548
We studied the interaction between a single hydrogen atom and a single graphene using classical molecular dynamics simulation with modified Brenner REBO potential. Three interactions, which are adsorption, reflection, penetration, were observed. Over
Externí odkaz:
http://arxiv.org/abs/0710.2878