# Synchronized molecular dynamics simulation via macroscopic heat and momentum transfer: an application to polymer lubrication

@article{Yasuda2014SynchronizedMD, title={Synchronized molecular dynamics simulation via macroscopic heat and momentum transfer: an application to polymer lubrication}, author={Shugo Yasuda and Ryoichi Yamamoto}, journal={arXiv: Soft Condensed Matter}, year={2014} }

The synchronized molecular dynamics simulation via macroscopic heat and momentum transfer is proposed for the non-isothermal flow behaviors of complex fluids. In this method, the molecular dynamics simulations are assigned to small fluid elements to calculate the local stresses and temperatures and are synchronized at certain time intervals to satisfy the macroscopic heat- and momentum- transport equations. This method is applied to the lubrication of a polymeric liquid composed of short chains…

## 13 Citations

### Synchronized molecular-dynamics simulation for the thermal lubrication of a polymeric liquid between parallel plates

- Engineering, Materials Science
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The Synchronized Molecular-Dynamics simulation which was recently proposed by authors [Phys. Rev. X {\bf 4}, 041011 (2014)] is applied to the analysis of polymer lubrication between parallel plates.…

### Synchronized Molecular-Dynamics Simulation of the Thermal Lubrication of an Entangled Polymeric Liquid

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A qualitative difference of the thermo-rheological property between the entangled and unentangled polymer fluids gives completely different velocity profiles in the thermal lubrication system, which gives an interesting re-entrant transition in the stress–optical relation.

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Thermo-hydrodynamic lubrication of a polymeric liquid composed of short chains between parallel plates is analysed by a multi-scale simulation, i.e. the synchronised molecular dynamics simulation via…

### Multiscale simulation of a polymer melt flow between two coaxial cylinders under nonisothermal conditions

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We successfully extend a multiscale simulation (MSS) method to nonisothermal well-entangled polymer melt flows between two coaxial cylinders. In the multiscale simulation, the macroscopic flow system…

### Multiscale Simulations of Polymer Flow Between Two Parallel Plates

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A modified multiscale method without constitutive equation is proposed to investigate the microscopic information and macroscopic flow properties of polymeric fluid with the memory effect between…

### Multiscale simulations of interfacial slip for polymer melts under shear flow

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The low shear rate interfacial slip behaviors of nonentangled bead–spring polymer melts are firstly simulated using a multiscale method without constitutive relations and wall slip hypotheses. Two…

### Solidification of the Lennard-Jones fluid near a wall in thermohydrodynamic lubrication.

- PhysicsPhysical review. E
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We investigate the thermohydrodynamic lubrication of the Lennard-Jones (LJ) fluid in plain wall channels by using a molecular-dynamics simulation. It is found that the LJ fluid solidifies near the…

### Generalized Lagrangian Heterogenous Multiscale Modeling of Complex Fluids

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- 2022

We introduce a full-Lagrangian heterogeneous multiscale method (LHMM) to model complex ﬂuids with microscopic features that can extend over large spatio/temporal scales, such as polymeric solutions…

### A review on the theories and numerical methods for injection molding simulations

- EngineeringSCIENTIA SINICA Technologica
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Over the past two decades, numerical simulation of injection molding has made great progress, not only with its increasingly widespread use, but also with problems and challenges such as unreliable…

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