A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges

The pressure tensor (equivalent to the negative stress tensor) at both microscopic and macroscopic levels is fundamental to many aspects of engineering and science, including fluid dynamics, solid mechanics, biophysics, and thermodynamics. In this Perspective, we review methods to calculate the micr...

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Bibliographic Details
Published in:The Journal of chemical physics 2023-01, Vol.158 (4), p.040901-040901
Main Authors: Shi, Kaihang, Smith, Edward R., Santiso, Erik E., Gubbins, Keith E.
Format: Article
Language:English
Subjects:
Biophysics
Fluid dynamics
Mathematical analysis
Software
Solid mechanics
Tensors
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Summary:The pressure tensor (equivalent to the negative stress tensor) at both microscopic and macroscopic levels is fundamental to many aspects of engineering and science, including fluid dynamics, solid mechanics, biophysics, and thermodynamics. In this Perspective, we review methods to calculate the microscopic pressure tensor. Connections between different pressure forms for equilibrium and nonequilibrium systems are established. We also point out several challenges in the field, including the historical controversies over the definition of the microscopic pressure tensor; the difficulties with many-body and long-range potentials; the insufficiency of software and computational tools; and the lack of experimental routes to probe the pressure tensor at the nanoscale. Possible future directions are suggested.
ISSN:0021-9606
1089-7690
DOI:10.1063/5.0132487