We prove that the stress tensor,τab, 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 τab 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 τab is discussed
A conceptually simple method to calculate local and average pressure tensors in simulations of molec...
Certain stress and strain form a thermodynamic conjugate pair such that their strain energy equals t...
The so-called generalized Kramers-Kirkwood expression for the average stress tensor of a system of i...
We prove that the stress tensor, tau(ab), of a molecular system with arbitrary, short-range interact...
We prove that the stress tensor,τab, of a molecular system with arbitrary, short-range interactions ...
We prove that conservation of the stress tensor is a consequence of the invariance of the partition ...
We prove that the stress tensor conservation equation expressing the local equilibrium condition of ...
Within the density-functional theory of Hohenberg, Kohn and Sham, a comprehensive stress tensor is d...
We prove that conservation of the stress tensor is a consequence of the invariance of the partition ...
We revisit the derivation of the microscopic stress, linking the statistical mechanics of particle s...
the derivation of some fundamental expressions for the average stress tensor in systems of interacti...
International audienceStarting from the stochastic equation for the density operator, we formulate t...
O. R. Walton1°. As the authors correctly point out, an ex-pression for the stress due to a system of...
The derivation of an expression of the macroscopic stress tensor in terms of microscopic variables i...
Local stress fields are routinely computed from molecular dynamics trajectories to understand the st...
A conceptually simple method to calculate local and average pressure tensors in simulations of molec...
Certain stress and strain form a thermodynamic conjugate pair such that their strain energy equals t...
The so-called generalized Kramers-Kirkwood expression for the average stress tensor of a system of i...
We prove that the stress tensor, tau(ab), of a molecular system with arbitrary, short-range interact...
We prove that the stress tensor,τab, of a molecular system with arbitrary, short-range interactions ...
We prove that conservation of the stress tensor is a consequence of the invariance of the partition ...
We prove that the stress tensor conservation equation expressing the local equilibrium condition of ...
Within the density-functional theory of Hohenberg, Kohn and Sham, a comprehensive stress tensor is d...
We prove that conservation of the stress tensor is a consequence of the invariance of the partition ...
We revisit the derivation of the microscopic stress, linking the statistical mechanics of particle s...
the derivation of some fundamental expressions for the average stress tensor in systems of interacti...
International audienceStarting from the stochastic equation for the density operator, we formulate t...
O. R. Walton1°. As the authors correctly point out, an ex-pression for the stress due to a system of...
The derivation of an expression of the macroscopic stress tensor in terms of microscopic variables i...
Local stress fields are routinely computed from molecular dynamics trajectories to understand the st...
A conceptually simple method to calculate local and average pressure tensors in simulations of molec...
Certain stress and strain form a thermodynamic conjugate pair such that their strain energy equals t...
The so-called generalized Kramers-Kirkwood expression for the average stress tensor of a system of i...