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A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges
Kaihang Shi1, Edward R Smith2, Erik E Santiso1
1Department of Chemical and Biomolecular Engineering, North Carolina State University, Raleigh, North Carolina 27695, USA.
This perspective reviews methods for calculating the microscopic pressure tensor, crucial for engineering and science. It highlights challenges and suggests future research directions for this fundamental concept.
Area of Science:
- Physics
- Engineering
- Thermodynamics
- Biophysics
Background:
- The pressure tensor is fundamental to fluid dynamics, solid mechanics, and thermodynamics.
- Understanding microscopic pressure tensor is key across multiple scientific disciplines.
Purpose of the Study:
- To review methods for calculating the microscopic pressure tensor.
- To establish connections between different pressure forms for equilibrium and nonequilibrium systems.
- To identify challenges and suggest future directions in the field.
Main Methods:
- Review of existing literature on microscopic pressure tensor calculation methods.
- Analysis of theoretical frameworks for equilibrium and nonequilibrium systems.
- Identification of computational and experimental limitations.
Main Results:
- Established connections between various pressure tensor formulations.
- Highlighted difficulties with many-body and long-range potentials.
- Identified insufficiency of current software and computational tools.
Conclusions:
- The microscopic pressure tensor is vital but faces definition controversies and computational challenges.
- Lack of experimental nanoscale probing methods hinders progress.
- Future research should address these limitations and explore new avenues.
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