Concurrent multiscale modelling of atomistic and hydrodynamic processes in liquids
- Submitting institution
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Queen Mary University of London
- Unit of assessment
- 12 - Engineering
- Output identifier
- 559
- Type
- D - Journal article
- DOI
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10.1098/rsta.2013.0379
- Title of journal
- Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
- Article number
- ARTN 20130379
- First page
- 20130379
- Volume
- 372
- Issue
- 2021
- ISSN
- 1364-503X
- Open access status
- Out of scope for open access requirements
- Month of publication
- August
- Year of publication
- 2014
- URL
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- Supplementary information
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- Request cross-referral to
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- Output has been delayed by COVID-19
- No
- COVID-19 affected output statement
- -
- Forensic science
- No
- Criminology
- No
- Interdisciplinary
- No
- Number of additional authors
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5
- Research group(s)
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-
- Proposed double-weighted
- No
- Reserve for an output with double weighting
- No
- Additional information
- Multiscale problems occur in various applications from turbulence to reacting flows. Here we developed the first multiscale approach for simulating fluids at the continuum and atomistic scale concurrently based on a physical analogy with two-phase hydrodynamics. The research was supported by EPSRC (EP/J004308/2, completed in 2015), led to a guest editorship of the Special Issue of Royal Society PhilTransA (2014), ?nd invited presentations at the prestigious CECAM/Lorentz Workshop (2015). The results of this work also led to MC IF HIPPOGRIFFE Project 2016-2018 and international collaboration with several universities in USA, Greece, and Japan under EC RISE ATM2BT project 2019-2022.
- Author contribution statement
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- Non-English
- No
- English abstract
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