| Project/Area Number |
15607003
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
計算科学
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| Research Institution | The University of Tokyo |
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Principal Investigator |
ITO Nobuyasu The University of Tokyo, Graduate School of Engineering, Associate Professor, 大学院工学系研究科, 助教授 (70211745)
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| Co-Investigator(Kenkyū-buntansha) |
湯川 諭 東京大学, 大学院・ 工学系研究科, 助手 (20292899)
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| Project Period (FY) |
2003 – 2006
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| Project Status |
Completed (Fiscal Year 2006)
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| Budget Amount *help |
¥3,700,000 (Direct Cost: ¥3,700,000)
Fiscal Year 2006: ¥600,000 (Direct Cost: ¥600,000)
Fiscal Year 2005: ¥600,000 (Direct Cost: ¥600,000)
Fiscal Year 2004: ¥600,000 (Direct Cost: ¥600,000)
Fiscal Year 2003: ¥1,900,000 (Direct Cost: ¥1,900,000)
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| Keywords | material design / computer simulation / nonequilibrium relaxation method / Alder transition / KT transition / phase transition / critical phenomena / Kaneko-Yomo model / 相図 / 拡散 / 非平衡反応系 / NERANALYZER / アボガドロチャレンジ / 京速計算機 / 反応系 / 輸送現象 / 非平衡 / 剛体粒子 / 分散系 / 動的指数 / アスペクト比 / 超スケーリング / イジング模型 / ラシュブルッケ不等式 / 地球シミュレータ / 非平衡仕事 |
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| Research Abstract |
One well-established simulation strategy to study the thermal phases and transitions of a given microscopic model system is so-called the equilibrium method, in which one firstly realizes the equilibrium ensemble of a finite system and then extrapolates the results to infinite system. This equilibrium method traces over the standard theory of the thermal statistical mechanics, and over the idea of the thermodynamic limit. Recently, alternative simulation strategy has been developed by the initiative of the head investigator of this research project, which analyzes the nonequilibrium relaxation (NER) process. It is called the NER method. There are some advantages in the NER method over the equilibrium method. The NER method provides simpler analyzing procedure. This implies the less systematic error which is inevitable in the simulation and provides efficient resource usage. Main purpose of this research project is the following: (1) Further development of the NER method. (2) Refinement of the NER method as one standard technique to study material property. (3) Preparation towards analyzer software based on the NER method. During the four years of this project, these three are achieved. Analyzing method of the Kosterlitz-Thouless transition with the NER method is established, and it has turned out that hard-disk melting shows KT transition twice, as an example. Rejection free Monte Carlo method is developed for particle system, which makes simulation more efficient in high density region. An automatic analyzing software named as NER analyzer is designed and partly coded. The NER analyzer analyzes phase and exponent using the NER method by generating specified simulations, simulating and analyzing them, together with making precise log of execution in its database.
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