Homogeneous non-equilibrium molecular dynamics simulations of viscous flow: techniques and applications
We provide a review of the literature for non-equilibrium molecular dynamics (NEMD)
simulations of homogeneous fluids. Our review focuses on techniques for simulations of …
simulations of homogeneous fluids. Our review focuses on techniques for simulations of …
Atomistic simulation of shear flow of linear alkane and polyethylene liquids: A 50-year retrospective
Atomistic simulations of alkanes and polyethylenes have grown in utility and application
over a 50-year period beginning at the earliest days of molecular dynamics research. This …
over a 50-year period beginning at the earliest days of molecular dynamics research. This …
[图书][B] Nonequilibrium molecular dynamics: theory, algorithms and applications
Written by two specialists with over twenty-five years of experience in the field, this valuable
text presents a wide range of topics within the growing field of nonequilibrium molecular …
text presents a wide range of topics within the growing field of nonequilibrium molecular …
Linear and nonlinear viscoelasticities of dissociative and associative covalent adaptable networks: discrepancies and limits
X Cui, N Jiang, J Shao, H Zhang, Y Yang… - Macromolecules, 2023 - ACS Publications
Covalent adaptable networks (CANs) can be classified into dissociative (Diss-CANs) and
associative (Asso-CANs) networks according to the exchange mechanism of covalent …
associative (Asso-CANs) networks according to the exchange mechanism of covalent …
Individual chain dynamics of a polyethylene melt undergoing steady shear flow
Individual molecule dynamics have been shown to influence significantly the bulk
rheological and microstructural properties of short-chain, unentangled, linear polyethylene …
rheological and microstructural properties of short-chain, unentangled, linear polyethylene …
A simple, direct derivation and proof of the validity of the SLLOD equations of motion for generalized homogeneous flows
We present a simple and direct derivation of the SLLOD equations of motion for molecular
simulations of general homogeneous flows. We show that these equations of motion (1) …
simulations of general homogeneous flows. We show that these equations of motion (1) …
Individual molecular dynamics of an entangled polyethylene melt undergoing steady shear flow: Steady-state and transient dynamics
The startup and steady shear flow properties of an entangled, monodisperse polyethylene
liquid (C1000H2002) were investigated via virtual experimentation using nonequilibrium …
liquid (C1000H2002) were investigated via virtual experimentation using nonequilibrium …
Elucidating the molecular rheology of entangled polymeric fluids via comparison of atomistic simulations and model predictions
The startup and steady shear flow properties of an entangled, monodisperse linear
polyethylene liquid (C1000H2002) were investigated via virtual experimentation using …
polyethylene liquid (C1000H2002) were investigated via virtual experimentation using …
Steady shearing flow of a moderately entangled polyethylene liquid
The rheological properties and dynamical responses of a monodisperse polyethylene (PE)
liquid, C 700 H 1402, were examined using equilibrium molecular dynamics and …
liquid, C 700 H 1402, were examined using equilibrium molecular dynamics and …
Viscosity evolution of water glycol in deep-sea environment at high pressure and low temperature
X Dingcheng, D Yipan, W Zhenyao, L Tianhao… - Journal of Molecular …, 2023 - Elsevier
Using water glycol as a working medium is an important development direction for deep sea
hydraulic drives, its viscosity is an important parameter for hydrodynamic lubrication and …
hydraulic drives, its viscosity is an important parameter for hydrodynamic lubrication and …