Clustering effects in ionic polymers: Molecular dynamics simulations
نویسندگان
چکیده
منابع مشابه
Molecular dynamics simulations of glassy polymers
We review recent results from computer simulation studies of polymer glasses, from chain dynamics around glass transition temperature Tg to the mechanical behaviour below Tg. These results clearly show that modern computer simulations are able to address and give clear answers to some important issues in the field, in spite of the obvious limitations in terms of length and time scales. In the p...
متن کاملQuantum Molecular Dynamics Simulations of Conjugated Polymers
The softness of conjugated polymers leads to strong coupling between polymer’s electrons and lattice vibrations. Therefore, it is necessary to perform quantum molecular dynamics computer simulations in order to study their electronic and optical properties at molecular level. We have used self-consistent molecular dynamics calculations with inter-atomic forces evaluated from quantum mechanical ...
متن کاملRelaxation Behavior in Molecular Dynamics Simulations of Simple Polymers
Viscoelastic materials exhibit complex stress-strain behavior with respect to time, temperature and magnitude. Study of viscoelastic behavior by physical experimentation is very much limited by the cost and current capabilities of rheological equipment. Additionally, macroscopic relaxations often occur at time-scales that are impractical to study experimentally. For this reason, computer molecu...
متن کاملMolecular Dynamics Simulations of Polymers in Micro–environments
We provide an overview of ongoing work using large scale Molecular Dynamics (MD) simulations to study systems comprising macromolecules and explicit fluid in various contexts relevant to emerging bioanalytical microdevices and single molecule manipulation techniques. In particular, we discuss the application of MD simulations to polymer translocation through a nanopore, electroosmotic flow cont...
متن کاملElastic properties of photoswitchable azobenzene polymers from molecular dynamics simulations.
Nanomechanical devices or molecular machines will, for a broad range of applications, most likely be powered by light or other kinds of electromagnetic radiation. The major reasons are ease of addressability, picosecond reaction times to external stimuli, and compatibility with a broad range of ambient substances, such as solvents, electrolytes, or gases. Azobenzene is a well-studied photoactiv...
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: 2015
ISSN: 1539-3755,1550-2376
DOI: 10.1103/physreve.92.022601