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个人信息Personal Information
教授
博士生导师
硕士生导师
主要任职：Professor Dr. Hongbin Ding
其他任职：物理学院学术委员会主任，等离子体联合研究中心主任,中国光学工程学会LIBS专委会副主任, 中国核学会核聚变等离子体分会常务理事，辽宁省物理学会副理事长，国际ITER-ITPA 委员
性别：男
毕业院校：巴塞尔大学
学位：博士
所在单位：物理学院
学科：等离子体物理. 光学工程
联系方式：hding@dlut.edu.cn
电子邮箱：hding@dlut.edu.cn
Calculation of the second self-diffusion and viscosity virial coefficients of Lennard-Jones fluid by equilibrium molecular dynamics simulations
点击次数：
论文类型：期刊论文
发表时间：2011-06-16
发表刊物：PHYSICAL REVIEW E
收录刊物：Scopus、SCIE、EI、PubMed
卷号：83
期号：6
页面范围：061202
ISSN号：1539-3755
摘要：The second self-diffusion and viscosity virial coefficients of the Lennard-Jones (LJ) fluid were calculated by a detailed evaluation of the velocity and shear-stress autocorrelation functions using equilibrium molecular dynamics simulations at low and moderate densities. Accurate calculation of these coefficients requires corresponding transport coefficient values with low degrees of uncertainty. These were obtained via very long simulations by increasing the number of particles and by using the knowledge of correlation functions in the Green-Kubo method in conjunction with their corresponding generalized Einstein relations. The values of the self-diffusion and shear viscosity coefficients have been evaluated for systems with reduced densities between 0.0005 and 0.05 and reduced temperatures from 0.7 to 30.0. This provides a new insight into the transport coefficients beyond what can be offered by the Rainwater-Friend theory, which has not been developed for the self-diffusion coefficient.