# Coarse-grained hydrodynamics from correlation functions

## Abstract

This paper will describe a formalism for using correlation functions between different grid cells as the basis for determining coarse-grained hydrodynamic equations for modeling the behavior of mesoscopic fluid systems. Configuration from a molecular dynamics simulation are projected onto basis functions representing grid cells in a continuum hydrodynamic simulation. Equilbrium correlation functions between different grid cells are evaluated from the molecular simulation and used to determine the evolution operator for the coarse-grained hydrodynamic system. The formalism is applied to some simple hydrodynamic cases to determine the feasibility of applying this to realistic nanoscale systems.

- Authors:

- Publication Date:

- Research Org.:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

- Sponsoring Org.:
- USDOE

- OSTI Identifier:
- 1439678

- Report Number(s):
- PNNL-SA-115670

Journal ID: ISSN 2470-0045; PLEEE8; KJ0401000

- DOE Contract Number:
- AC05-76RL01830

- Resource Type:
- Journal Article

- Journal Name:
- Physical Review E

- Additional Journal Information:
- Journal Volume: 97; Journal Issue: 2; Journal ID: ISSN 2470-0045

- Publisher:
- American Physical Society (APS)

- Country of Publication:
- United States

- Language:
- English

- Subject:
- Power Grid Modeling; High Performance Computings

### Citation Formats

```
Palmer, Bruce.
```*Coarse-grained hydrodynamics from correlation functions*. United States: N. p., 2018.
Web. doi:10.1103/PhysRevE.97.022106.

```
Palmer, Bruce.
```*Coarse-grained hydrodynamics from correlation functions*. United States. doi:10.1103/PhysRevE.97.022106.

```
Palmer, Bruce. Thu .
"Coarse-grained hydrodynamics from correlation functions". United States. doi:10.1103/PhysRevE.97.022106.
```

```
@article{osti_1439678,
```

title = {Coarse-grained hydrodynamics from correlation functions},

author = {Palmer, Bruce},

abstractNote = {This paper will describe a formalism for using correlation functions between different grid cells as the basis for determining coarse-grained hydrodynamic equations for modeling the behavior of mesoscopic fluid systems. Configuration from a molecular dynamics simulation are projected onto basis functions representing grid cells in a continuum hydrodynamic simulation. Equilbrium correlation functions between different grid cells are evaluated from the molecular simulation and used to determine the evolution operator for the coarse-grained hydrodynamic system. The formalism is applied to some simple hydrodynamic cases to determine the feasibility of applying this to realistic nanoscale systems.},

doi = {10.1103/PhysRevE.97.022106},

journal = {Physical Review E},

issn = {2470-0045},

number = 2,

volume = 97,

place = {United States},

year = {2018},

month = {2}

}

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