Method to manage integration error in the Green-Kubo method
نویسندگان
چکیده
منابع مشابه
Self Diffusion and Binary Maxwell-Stefan Diffusion in Simple Fluids with the Green-Kubo Method
Self diffusion coefficients and binary Maxwell-Stefan diffusion coefficients were determined by equilibrium molecular dynamics simulations with the Green-Kubo method. The study covers five pure fluids: neon, argon, krypton, xenon, and methane and three binary mixtures: argon+krypton, argon+xenon, and krypton+xenon. The fluids are modeled by spherical Lennard-Jones pair-potentials, with paramete...
متن کاملThe calculation of viscosity of liquid n-decane and n-hexadecane by the Green-Kubo method
This short commentary presents the result of long molecular dynamics simulation calculations of the shear viscosity of liquid n-decane and n-hexadecane using the Green± Kubo integration method. The relaxation time of the stress± stress correlation function is compared with those of rotation and di usion. The rotational and di usional relaxation times, which are easy to calculate, provide usef...
متن کاملbuckling of viscoelastic composite plates using the finite strip method
در سال های اخیر، تقاضای استفاده از تئوری خطی ویسکوالاستیسیته بیشتر شده است. با افزایش استفاده از کامپوزیت های پیشرفته در صنایع هوایی و همچنین استفاده روزافزون از مواد پلیمری، اهمیت روش های دقیق طراحی و تحلیل چنین ساختارهایی بیشتر شده است. این مواد جدید از خودشان رفتارهای مکانیکی ارائه می دهند که با تئوری های الاستیسیته و ویسکوزیته، نمی توان آن ها را توصیف کرد. این مواد، خواص ویسکوالاستیک دارند....
The Fluctuation Theorem and Green-Kubo Relations
Green-Kubo and Einstein expressions for the transport coefficients of a fluid in a nonequilibrium steady state can be derived using the Fluctuation Theorem and by assuming the probability distribution of the time-averaged dissipative flux is Gaussian. These expressions are consistent with those obtained using linear response theory and are valid in the linear regime. It is shown that these expr...
متن کاملError estimation of fuzzy Newton-Cotes method for Integration of fuzzy functions
Fuzzy Newton-Cotes method for integration of fuzzy functions that was proposed by Ahmady in [1]. In this paper we construct error estimate of fuzzy Newton-Cotes method such as fuzzy Trapezoidal rule and fuzzy Simpson rule by using Taylor's series. The corresponding error terms are proven by two theorems. We prove that the fuzzy Trapezoidal rule is accurate for fuzzy polynomial of degree one and...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review E
سال: 2017
ISSN: 2470-0045,2470-0053
DOI: 10.1103/physreve.95.023308