منابع مشابه
Molecular Dynamics Study of the Glass Transition in Confined Water
A molecular dynamics simulation of SPC/E water confined in a Silica pore is presented. The pore has been constructed to reproduce the average properties of a pore of Vycor glass. Due to the confinement and to the presence of a strong hydrophilic surface, the dynamic behaviour of the liquid appears to be strongly dependent on the hydration level. The approach to the glass transition of confined ...
متن کاملSelf-motion in glass-forming polymers: a molecular dynamics study.
We present results of molecular dynamics simulations of an undercooled polymer melt, performed to study the validity of mode-coupling theory (MCT) for realistic polymer melts in general. The mean square displacements of the chain segments are computed to study the diffusion constant of the Rouse-like motion. It is shown that this diffusion constant follows a power law behavior as a function of ...
متن کاملthe study of bright and surface discrete cavity solitons dynamics in saturable nonlinear media
امروزه سالیتون ها بعنوان امواج جایگزیده ای که تحت شرایط خاص بدون تغییر شکل در محیط منتشر می-شوند، زمینه مطالعات گسترده ای در حوزه اپتیک غیرخطی هستند. در این راستا توجه به پدیده پراش گسسته، که بعنوان عامل پهن شدگی باریکه نوری در آرایه ای از موجبرهای جفت شده، ظاهر می گردد، ضروری است، زیرا سالیتون های گسسته از خنثی شدن پراش گسسته در این سیستم ها بوسیله عوامل غیرخطی بوجود می آیند. گسستگی سیستم عامل...
Molecular dynamics study of the binary Cu46Zr54 metallic glass motivated by experiments: Glass formation and atomic-level structure
Gang Duan,1,* Donghua Xu,1 Qing Zhang,2 Guoyun Zhang,2 Tahir Cagin,3 William L. Johnson,1 and William A. Goddard III2 1W. M. Keck Laboratory of Engineering Materials, 138-78, California Institute of Technology, 1200 E California Boulevard, Pasadena, California 91125, USA 2Materials and Process Simulation Center, 139-74, California Institute of Technology, 1200 E California Boulevard, Pasadena, ...
متن کاملInvestigation of Melting by Molecular Dynamics Simulation
The melting of a 64 ion microcrystal of KCI was studied by means of a molecular dynamics computer simulation. We used a central pair interaction with an inverse power law repulsion. The thermodynamics, kinetic and structural properties such as melting temperature, latent heat, mean square displacement, diffusion constant, radial distribution function and bond angle distribution are calculated. ...
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ژورنال
عنوان ژورنال: Solid State Ionics
سال: 1988
ISSN: 0167-2738
DOI: 10.1016/0167-2738(88)90049-5