서지주요정보
단원자 및 다원자 분자로 이루어진 응축상 계에 대한 분자 동력학 및 리아푸노프 불안정성에 관한 연구 = Molecular dynamics and Lyapunov instability of mono- and poly-atomic condensed systems
서명 / 저자 단원자 및 다원자 분자로 이루어진 응축상 계에 대한 분자 동력학 및 리아푸노프 불안정성에 관한 연구 = Molecular dynamics and Lyapunov instability of mono- and poly-atomic condensed systems / 임동철.
저자명 임동철 ; Ihm, Dong-Chul
발행사항 [대전 : 한국과학기술원, 2003].
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소장정보

등록번호

8014270

소장위치/청구기호

학술문화관(문화관) 보존서고

DCH 03004

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초록정보

Lyapunov exponents have been known as an quantitive measure for characterization of dynamical instability and comprexibility and as a starting point for estabilishing thermo-chaotic relation. In this dessertation, we performed the molecular dynamics of mono- and triatomic molecular fluid systems to develop the thermo-chatic realtion between Kolmogorov-Sinai entropy (KS entropy) and self-diffusion pheonemenon. It is found in the case of mono-atomic fluids that KS entropy and the self-diffusion coefficients, when expressed in terms of the interparticle collision rate, has a simple power law, which is similar to Dzugutov`s suggestions in [Nature 381, 137] and [Phys. Rev. Lett. 81, 1762]. Our numerical results suggest a different type of thermo-chatoic relationship and it reads that the finite-size length scale of correlation of dynamical information is confidently involved from micrscopic region through to the thermodynamic level.Next we developed a molecular dynamics method to evaluate the full Lyapunov exponents of the two dimensional fluid system composed of tri-atomic molecules. The general trends and characteristic features of Lyapunov exponents and KS entropy, depending on density and intra-molecular angle, are examined. From the projection analysis of Lyapunov tangent vectors, we also found that the major contribution of dynamical instability comes from the fast divergence of momentum components in the phase-space trajectory.

서지기타정보

서지기타정보
청구기호 {DCH 03004
형태사항 vii, 69 p. : 삽도 ; 26 cm
언어 한국어
일반주기 저자명의 영문표기 : Dong-Chul Ihm
지도교수의 한글표기 : 이억균
지도교수의 영문표기 : Eok-Kyun Lee
수록잡지명 : "Observation of the correlation between kolmogorov-sinai entropy and self-diffusion coefficient in simple fluids". Physical review E, acceptted
학위논문 학위논문(박사) - 한국과학기술원 : 화학과,
서지주기 참고문헌 : p. 64-66
주제 분자 동력학 모사 실험
리아푸노프 불안정성
동력학적 엔트로피
자기 확산 계수
응축상 계
Molecular dynamics simulation
Lyapunov instability
Kolmogorov-Sinai entropy
self-diffusion coefficient
condensed systems
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