相关论文: Calculation of Cauchy stress tensor in molecular d…

The microscopic definition for the Cauchy stress tensor has been examined in the past from many different perspectives. This has led to different expressions for the stress tensor and consequently the "correct" definition has been a subject…

We obtain a kinetic description of spatially averaged dynamics of particle systems. Spatial averaging is one of the three types of averaging relevant within the Irwing-Kirkwood procedure (IKP), a general method for deriving macroscopic…

The peridynamic stress formula proposed by Lehoucq and Silling [1, 2] is cumbersome to be implemented in numerical computations. Here, we show that the peridynamic stress tensor has the exact mathematical expression as that of the first…

In this paper, we study the accuracy of Irving-Kirkwood type of formulas for the approximation of continuum quantities from atomistic simulations. Such formulas are derived by expressing the displacement, deformation gradient and stress in…

In the present work, we first introduce a general framework for modelling complex multiscale fluids and then focus on the derivation and analysis of a new hybrid continuum-kinetic model. In particular, we combine conservation of mass and…

Stress is calculated routinely in atomistic simulations. The widely used microscopic stress formulas derived from classical or quantum mechanics, however, are distinct from the concept of Cauchy stress, i.e., the true mechanical tress. This…

A two-step unified framework for the evaluation of continuum field expressions from molecular simulations for arbitrary interatomic potentials is presented. First, pointwise continuum fields are obtained using a generalization of the…

We utilize a generalized Irving-Kirkwood procedure to derive the hydrodynamic equations of an active matter suspension with internal structure and driven by internal torque. The internal structure and torque of the active Brownian particles…

Many recent papers have questioned Irving and Kirkwood's atomistic expression for stress. In Irving and Kirkwood's approach both interatomic forces and atomic velocities contribute to stress. It is the velocity-dependent part that has been…

The classical procedure devised by Irving and Kirkwood in 1950 and completed slightly later by Noll produces counterparts of the basic balance laws of standard continuum mechanics starting from an ordinary Hamiltonian description of the…

We construct generalized quantum Cauchy pre-measures that correspond to the analytic continuation of the transition probability of the Cauchy process to imaginary time. We show that these complex pre-measures of time translations extend to…

This work presents a novel formulation and numerical strategy for the simulation of geometrically nonlinear structures. First, a non-canonical Hamiltonian (Poisson) formulation is introduced by including the dynamics of the stress tensor.…

We derive the rate-form spatial equilibrium system for a nonlinear Cauchy elastic formulation in isotropic finite-strain elasticity. For a given explicit Cauchy stress-strain constitutive equation, we determine those properties that pertain…

The Cauchy-Kowalewskaya (CK) procedure is a key building block in the design of solvers for the Generalised Rieman Problem (GRP) based on Taylor series expansions in time. The CK procedure allows us to express time derivatives in terms of…

This paper is a sequence of the work presented in [1], where, the principles of the general relativity have been used to formulate quantum wave equations taking into account the effect of the electromagnetic and strong interactions in the…

In this article we propose to add stress-energy tensor to the Einstein equations, assuming that the matter-energy and the metric space-time is nothing but a continuous medium with some elastic properties. We first give a general expression…

Atomistic simulation has been a powerful study tool in mechanics research, but how to objectively compute the atomic stress equivalent to Cauchy stress is still controversial, especially on the velocity-related part in the virial stress…

The article proposes an amendment to the relativistic continuum mechanics which introduces the relationship between density tensors and the curvature of spacetime. The resulting formulation of a symmetric stress-energy tensor for a system…

The regularized expectation value of the stress-energy tensor for a massless bosonic or fermionic field in 1+1 dimensions is calculated explicitly for the instantaneous vacuum relative to any Cauchy surface (here a spacelike curve) in terms…

In this paper, we introduce a statistical field theory that describes the macroscopic mechanical forces in inhomogeneous Coulomb fluids. Our approach employs the generalization of Noether's first theorem for the case of fluctuating order…