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Statistical Mechanics, Molecular Modeling, and the Notion of Stress - An Invited Collection (Paperback, 2010 ed.)
Loot Price: R2,915
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Statistical Mechanics, Molecular Modeling, and the Notion of Stress - An Invited Collection (Paperback, 2010 ed.)
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Total price: R2,935
Discovery Miles: 29 350
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The paper of Admal & Tadmor, "A Uni ed Interpretation of Stress
in Molecular S- tems," takes up the various existing microscopic de
nitions of the Cauchy stress tensor. Here the ambition is to
establish a unifying framework in which all of these molecular
surfacial interactions can be derived and the connections between
them made evident. Developments in this paper draw upon the
non-equilibrium statistical mechanics of Irving & Kirkwood and
Noll, together with spatial averaging techniques. Extensions of the
early work of Irving & Kirkwood to include multibody potentials
and a generalization of the lemmas of Noll to include non-straight
bonds are incorporated. Connections to the direct spatial averaging
- proach of Murdoch and Hardy are exposed and the troublesome
sources of non-uniqueness of the stress tensor are identi ed.
Finally, numerical experiments based on molecular - namics and
lattice statics are reported. These contrast the various de nitions
of stress, - cluding convergence questions related to the size of
the domain over which spatial averaging is performed. It is natural
to wonder about the connection between works focused on the
microscopic foundation of stress and more kinematically-focused
works, such as those of Ericksen, P- teri, and Zanzotto, which
emphasize the utility of and explore the validity of the Cauchy-
Born rule. Podio-Guidugli's paper, "On (Andersen-)Parrinello-Rahman
Molecular Dyn- ics, the Related Metadynamics, and the Use of the
Cauchy-Born Rule," discusses scale bridging between molecular
dynamics and continuum mechanics for Parrinello-Rahman molecular
dynamics.
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