We prove that the stress tensor, tau(ab), of a molecular system with arbitrary, short-range interactions can be point-wisely expressed as the functional derivative of the partition function with respect to the local deformation tensor. In this approach, the set of components of tau(ab) has a simple interpretation as the set of Lagrangian multipliers which one needs to introduce to enforce the conditions relating point particle displacements to the body local deformation tensor. The question of the possible nonuniqueness of the formula for tau(ab) is discussed.

The stress tensor in thermodynamics and statistical mechanics / G. C., Rossi; Testa, Massimo. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - STAMPA. - 132:7(2010), p. 074902. [10.1063/1.3316134]

The stress tensor in thermodynamics and statistical mechanics

TESTA, Massimo
2010

Abstract

We prove that the stress tensor, tau(ab), of a molecular system with arbitrary, short-range interactions can be point-wisely expressed as the functional derivative of the partition function with respect to the local deformation tensor. In this approach, the set of components of tau(ab) has a simple interpretation as the set of Lagrangian multipliers which one needs to introduce to enforce the conditions relating point particle displacements to the body local deformation tensor. The question of the possible nonuniqueness of the formula for tau(ab) is discussed.
2010
statistical mechanics; tensors; thermodynamics
01 Pubblicazione su rivista::01a Articolo in rivista
The stress tensor in thermodynamics and statistical mechanics / G. C., Rossi; Testa, Massimo. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - STAMPA. - 132:7(2010), p. 074902. [10.1063/1.3316134]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/948
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